-------------------------------------------------------------------------------- D E F I N I N G G R O U P S f o r T A R G E T -------------------------------------------------------------------------------- Groups summary for TARGET: MODEL contains 15062 atoms CALPHA contains 1855 atoms BACKBONE contains 7420 atoms LIGAND contains 828 atoms RECEPTOR contains 14234 atoms INTERFACE contains 1331 atoms INTERFACE LIGAND contains 416 atoms INTERFACE RECEPTOR contains 915 atoms TARGET INTERFACE RECEPTOR residues are PRO 5M ARG 6M ALA 7M TYR 10M GLU 11M ARG 14M TYR 47M ASP 48M GLU 49M PRO 50M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M ILE 61M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ASP 230M GLU 231M SER 232M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q ALA 16Q GLU 17Q MET 18Q ARG 19Q LYS 20Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q PRAYERYDEPYKTSEYSIQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTDESRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLAEMRKKPSEYDIQRT TARGET INTERFACE LIGAND residues are SER 8A LEU 9A ASP 10A ASP 11A ILE 12A TRP 13A VAL 14A GLY 15A GLU 16A MET 17A GLU 18A GLU 27A ASN 32A SER 33A GLU 34A MET 44A CYS 45A PRO 46A HIS 47A GLN 48A GLU 49A ILE 50A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A GLY 78A ILE 79A ASN 80A PRO 81A ASP 82A ASP 83A ALA 84A PRO 107A ASN 108A LYS 109A ALA 110A ALA 111A ALA 112A SLDDIWVGEMEENSEMCPHQEILLSEGSYEGVITCRAHLWTFGINPDDAPNKAAA -------------------------------------------------------------------------------- D E F I N I N G M A T C H I N G C H A I N S -------------------------------------------------------------------------------- Chain names: G A B C D E F Renamed to : G A B C D E F Matching the following chains: LIGAND: Target: A Prediction: G RECEPTOR: Target: M P N Q O R Prediction: A D B E C F Through alignments: LIGAND: 0 10 20 30 40 50 60 70 80 90 100 110 T A: SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEILLSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVSTKGILPNKAAA P G: SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEILLSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVSTKGILPNKA-- RECEPTOR: 0 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 460 470 480 T M: -MHPRADWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKC P A: AMHPRKDWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKC 0 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 460 470 480 T P: -MHPRADWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKC P D: AMHPRKDWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKC 0 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 T N: SFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSML-- P B: -FESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSMLSS 0 10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 T Q: SFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSML-- P E: -FESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSMLSS 0 10 20 30 40 50 60 70 T O: --FPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVF- P C: SAFPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVFE 0 10 20 30 40 50 60 70 T R: --FPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVF- P F: SAFPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVFE Alternative match returns: "AMPNQORGADBECF" -------------------------------------------------------------------------------- C O N S E R V A T I O N o f S E Q U E N C E -------------------------------------------------------------------------------- (I)nterface residues (T)arget sequence (C)ommon residues (S)tructurally invariant residues I A: ......SLDDIWVGEME........E....NSE.........MCPHQEILLSEGSYEG.VITCRAHLWTF......GINPDDA......................PNKAAA T A: SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEILLSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVSTKGILPNKAAA C A: SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEILLSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEY-VEVKGDDIYVSTK--------- S A: .FEKICS......GEMETFETS.GTEVLIVNSEEHGVKAYQAMCP....LLSEGSYEGGVITCRAHLWTFNDGTG.......AALAEYPVE...DDIYV............ I M: ..PRA..YE..R................................YDEPYKTS..EY.SIQ.EK............................................................M......D..RH...................................................AI.LTFSFETGFTNMQFLGLAAD.A.......ANLISSIQTDESRHAQQGGPALQ............................................Q....F.YEWIIGQFERSL.DL....................................................................................................................................................................................... T M: MHPRADWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKC C M: MHPRaDWYELTRATNWTP-YVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVS-QREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGAL-YMGFQSIEEMGKDAHDFAWADK- S M: ..HPRKDWYELTRATNWTPSYVTEEQLFPERMSGH.GIPLEKW.....PYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQ...SRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLN............................DWNIEVFSLEH.GRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLA.......LEGALKYMGFQSIEEMGKDAHDFAWA... I P: .......................................................................A..ER................................................................F..H...K...................................................................................................................................................................................................................................................................................................................................................... T P: MHPRADWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKC C P: MHPRaDWYELTRATNWTP-YVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVS-QREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQP------------------------------- S P: ..HPRKDWYELTRATNWTPSYVTEEQLFPERMSGH.GIPLEKW.....PYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQ.....HAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLN.............................WNIEVFSLEH.GRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLA.......LEGALKYMGFQSIEEMGKDAHDFAWAD.. I N: ............................................................................................................................................................................................................................................................................................................... T N: SFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSML C N: -FESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSML S N: ...KKPMRTWSHLA.....PSEYDIVSRKLH.STNNPDSPWELSPDSPMNLWYKQYRNASPLK..NWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHD.....GWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELS.....AGLGEHERELWE.....QGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSM... I Q: .....KPMRT...LAEMRKKPSEYDI.................................................Q...RT.............................................................................................................................................................................................................................. T Q: SFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSML C Q: --ESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSML S Q: ...KKPMRTWSHLA.....PSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLK..NWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQ....GWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELS.....AGLGEHERELWE.....QGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSM... I O: ............................................................................... T O: FPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVF C O: FPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVF S O: ...PVHAAFEKDFLVQLVVV.....MDQVAEKVAYHCVNRRVAP....MRVRKH...................TEVIDVV.. I R: ............................................................................... T R: FPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVF C R: FPVHAAFEKDFLVQLVVVDLN-SMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLN--------- S R: ...PVHAAFEKDFLVQLVVV....SMDQVAEKVAYHCVNRRVAP....MRVRKH...................TEVIDVV.. -------------------------------------------------------------------------------- S E Q U E N C E I D E N T I T Y A N A L Y S I S -------------------------------------------------------------------------------- LIGAND PREDICTION CHAIN G with TARGET CHAIN A: 100.00 % RECEPTOR PREDICTION CHAIN A with TARGET CHAIN M: 99.80 % RECEPTOR PREDICTION CHAIN D with TARGET CHAIN P: 99.80 % RECEPTOR PREDICTION CHAIN B with TARGET CHAIN N: 100.00 % RECEPTOR PREDICTION CHAIN E with TARGET CHAIN Q: 100.00 % RECEPTOR PREDICTION CHAIN C with TARGET CHAIN O: 100.00 % RECEPTOR PREDICTION CHAIN F with TARGET CHAIN R: 100.00 % -------------------------------------------------------------------------------- D E F I N I N G G R O U P S f o r P R E D I C T I O N -------------------------------------------------------------------------------- Groups summary for PREDICTION: MODEL contains 15266 atoms CALPHA contains 1863 atoms BACKBONE contains 7452 atoms LIGAND contains 836 atoms RECEPTOR contains 14430 atoms INTERFACE contains 1500 atoms INTERFACE LIGAND contains 552 atoms INTERFACE RECEPTOR contains 948 atoms PREDICTION INTERFACE RECEPTOR residues are ARG 6A LYS 7A TYR 10A ASP 48A GLU 49A PRO 50A TYR 51A LYS 52A THR 53A SER 54A GLU 57A TYR 58A SER 60A ILE 61A GLN 62A GLU 64A LYS 65A ASP 133A ARG 136A HIS 137A THR 193A PHE 194A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 213A GLU 214A TYR 218A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ASP 230A GLU 231A SER 232A ARG 233A HIS 234A ALA 235A GLN 236A GLY 239A GLN 243A MET 277A ASP 285A ARG 286A SER 287A GLN 288A SER 289A GLU 292A PHE 293A MET 294A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ILE 307A ASP 308A LEU 309A GLY 310A LYS 73D ALA 74D ALA 75D LEU 76D GLU 77D ARG 78D ALA 79D LYS 80D ILE 81D TYR 82D GLU 83D ASN 84D PHE 143D HIS 146D GLU 147D TYR 148D CYS 149D LYS 150D LYS 151D LYS 7E PRO 8E MET 9E ARG 10E THR 11E LEU 15E ALA 16E GLU 17E MET 18E ARG 19E LYS 20E LYS 21E PRO 22E RKYDEPYKTSEYSIQEKDRHTFFETGFTNMQFLGLAADAEYISSIQTDESRHAQGQMDRSQSEFMYEWIIGQFERSLIDLGKAALERAKIYENFHEYCKKKPMRTLAEMRKKP PREDICTION INTERFACE LIGAND residues are PHE 3G LEU 9G VAL 14G GLY 15G MET 17G ILE 30G VAL 31G ASN 32G SER 33G GLU 34G GLU 35G HIS 36G GLY 37G VAL 38G LYS 39G ALA 40G TYR 41G CYS 45G PRO 46G HIS 47G GLN 48G ILE 50G LEU 51G LEU 52G SER 53G GLU 54G GLY 55G SER 56G TYR 57G GLU 58G GLY 59G GLY 60G VAL 61G ILE 62G THR 63G CYS 64G ARG 65G ALA 66G HIS 67G LEU 68G TRP 69G THR 70G PHE 71G ASN 72G ASP 73G GLY 74G THR 75G GLY 76G HIS 77G GLY 78G ILE 79G ASN 80G PRO 81G ASP 82G ASP 83G ALA 84G LEU 86G GLU 88G TYR 89G PRO 90G VAL 91G GLU 92G VAL 93G LYS 94G GLY 95G ASP 96G ASP 97G ILE 98G TYR 99G VAL 100G SER 101G ALA 110G FLVGMIVNSEEHGVKAYCPHQILLSEGSYEGGVITCRAHLWTFNDGTGHGINPDDALEYPVEVKGDDIYVSA -------------------------------------------------------------------------------- P R O J E C T I O N o f I N T E R F A C E -------------------------------------------------------------------------------- INTERFACE residues for TARGET SER 8A LEU 9A ASP 10A ASP 11A ILE 12A TRP 13A VAL 14A GLY 15A GLU 16A MET 17A GLU 18A GLU 27A ASN 32A SER 33A GLU 34A MET 44A CYS 45A PRO 46A HIS 47A GLN 48A GLU 49A ILE 50A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A GLY 78A ILE 79A ASN 80A PRO 81A ASP 82A ASP 83A ALA 84A PRO 107A ASN 108A LYS 109A ALA 110A PRO 5M ARG 6M ALA 7M TYR 10M GLU 11M ARG 14M TYR 47M ASP 48M GLU 49M PRO 50M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M ILE 61M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ASP 230M GLU 231M SER 232M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q ALA 16Q GLU 17Q MET 18Q ARG 19Q LYS 20Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q SLDDIWVGEMEENSEMCPHQEILLSEGSYEGVITCRAHLWTFGINPDDAPNKAPRAYERYDEPYKTSEYSIQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTDESRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLAEMRKKPSEYDIQRT PROJECTED INTERFACE residues for PREDICTION SER 8G LEU 9G ASP 10G ASP 11G ILE 12G TRP 13G VAL 14G GLY 15G GLU 16G MET 17G GLU 18G GLU 27G ASN 32G SER 33G GLU 34G MET 44G CYS 45G PRO 46G HIS 47G GLN 48G GLU 49G ILE 50G LEU 51G LEU 52G SER 53G GLU 54G GLY 55G SER 56G TYR 57G GLU 58G GLY 59G VAL 61G ILE 62G THR 63G CYS 64G ARG 65G ALA 66G HIS 67G LEU 68G TRP 69G THR 70G PHE 71G GLY 78G ILE 79G ASN 80G PRO 81G ASP 82G ASP 83G ALA 84G PRO 107G ASN 108G LYS 109G ALA 110G PRO 5A ARG 6A LYS 7A TYR 10A GLU 11A ARG 14A TYR 47A ASP 48A GLU 49A PRO 50A TYR 51A LYS 52A THR 53A SER 54A GLU 57A TYR 58A SER 60A ILE 61A GLN 62A GLU 64A LYS 65A MET 126A ASP 133A ARG 136A HIS 137A ALA 189A ILE 190A LEU 192A THR 193A PHE 194A SER 195A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 213A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ASP 230A GLU 231A SER 232A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A GLY 239A PRO 240A ALA 241A LEU 242A GLN 243A GLN 288A PHE 293A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ASP 308A LEU 309A ALA 74D GLU 77D ARG 78D PHE 143D HIS 146D LYS 150D LYS 7E PRO 8E MET 9E ARG 10E THR 11E LEU 15E ALA 16E GLU 17E MET 18E ARG 19E LYS 20E LYS 21E PRO 22E SER 23E GLU 24E TYR 25E ASP 26E ILE 27E GLN 77E ARG 81E THR 82E SLDDIWVGEMEENSEMCPHQEILLSEGSYEGVITCRAHLWTFGINPDDAPNKAPRKYERYDEPYKTSEYSIQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTDESRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLAEMRKKPSEYDIQRT -------------------------------------------------------------------------------- P R O J E C T I O N o f I N T E R F A C E R E C E P T O R -------------------------------------------------------------------------------- RECEPTOR INTERFACE residues for TARGET PRO 5M ARG 6M ALA 7M TYR 10M GLU 11M ARG 14M TYR 47M ASP 48M GLU 49M PRO 50M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M ILE 61M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ASP 230M GLU 231M SER 232M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q ALA 16Q GLU 17Q MET 18Q ARG 19Q LYS 20Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q PRAYERYDEPYKTSEYSIQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTDESRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLAEMRKKPSEYDIQRT PROJECTED RECEPTOR INTERFACE residues for PREDICTION PRO 5A ARG 6A LYS 7A TYR 10A GLU 11A ARG 14A TYR 47A ASP 48A GLU 49A PRO 50A TYR 51A LYS 52A THR 53A SER 54A GLU 57A TYR 58A SER 60A ILE 61A GLN 62A GLU 64A LYS 65A MET 126A ASP 133A ARG 136A HIS 137A ALA 189A ILE 190A LEU 192A THR 193A PHE 194A SER 195A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 213A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ASP 230A GLU 231A SER 232A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A GLY 239A PRO 240A ALA 241A LEU 242A GLN 243A GLN 288A PHE 293A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ASP 308A LEU 309A ALA 74D GLU 77D ARG 78D PHE 143D HIS 146D LYS 150D LYS 7E PRO 8E MET 9E ARG 10E THR 11E LEU 15E ALA 16E GLU 17E MET 18E ARG 19E LYS 20E LYS 21E PRO 22E SER 23E GLU 24E TYR 25E ASP 26E ILE 27E GLN 77E ARG 81E THR 82E PRKYERYDEPYKTSEYSIQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTDESRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLAEMRKKPSEYDIQRT -------------------------------------------------------------------------------- P R O J E C T I O N o f L I G A N D -------------------------------------------------------------------------------- LIGAND residues for TARGET SER 2A PHE 3A GLU 4A LYS 5A ILE 6A CYS 7A SER 8A LEU 9A ASP 10A ASP 11A ILE 12A TRP 13A VAL 14A GLY 15A GLU 16A MET 17A GLU 18A THR 19A PHE 20A GLU 21A THR 22A SER 23A ASP 24A GLY 25A THR 26A GLU 27A VAL 28A LEU 29A ILE 30A VAL 31A ASN 32A SER 33A GLU 34A GLU 35A HIS 36A GLY 37A VAL 38A LYS 39A ALA 40A TYR 41A GLN 42A ALA 43A MET 44A CYS 45A PRO 46A HIS 47A GLN 48A GLU 49A ILE 50A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A GLY 60A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A ASN 72A ASP 73A GLY 74A THR 75A GLY 76A HIS 77A GLY 78A ILE 79A ASN 80A PRO 81A ASP 82A ASP 83A ALA 84A ALA 85A LEU 86A ALA 87A GLU 88A TYR 89A PRO 90A VAL 91A GLU 92A VAL 93A LYS 94A GLY 95A ASP 96A ASP 97A ILE 98A TYR 99A VAL 100A SER 101A THR 102A LYS 103A GLY 104A ILE 105A LEU 106A PRO 107A ASN 108A LYS 109A ALA 110A SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEILLSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVSTKGILPNKA PROJECTED LIGAND residues for PREDICTION SER 2G PHE 3G GLU 4G LYS 5G ILE 6G CYS 7G SER 8G LEU 9G ASP 10G ASP 11G ILE 12G TRP 13G VAL 14G GLY 15G GLU 16G MET 17G GLU 18G THR 19G PHE 20G GLU 21G THR 22G SER 23G ASP 24G GLY 25G THR 26G GLU 27G VAL 28G LEU 29G ILE 30G VAL 31G ASN 32G SER 33G GLU 34G GLU 35G HIS 36G GLY 37G VAL 38G LYS 39G ALA 40G TYR 41G GLN 42G ALA 43G MET 44G CYS 45G PRO 46G HIS 47G GLN 48G GLU 49G ILE 50G LEU 51G LEU 52G SER 53G GLU 54G GLY 55G SER 56G TYR 57G GLU 58G GLY 59G GLY 60G VAL 61G ILE 62G THR 63G CYS 64G ARG 65G ALA 66G HIS 67G LEU 68G TRP 69G THR 70G PHE 71G ASN 72G ASP 73G GLY 74G THR 75G GLY 76G HIS 77G GLY 78G ILE 79G ASN 80G PRO 81G ASP 82G ASP 83G ALA 84G ALA 85G LEU 86G ALA 87G GLU 88G TYR 89G PRO 90G VAL 91G GLU 92G VAL 93G LYS 94G GLY 95G ASP 96G ASP 97G ILE 98G TYR 99G VAL 100G SER 101G THR 102G LYS 103G GLY 104G ILE 105G LEU 106G PRO 107G ASN 108G LYS 109G ALA 110G SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEILLSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVSTKGILPNKA -------------------------------------------------------------------------------- P R O J E C T I O N o f R E C E P T O R -------------------------------------------------------------------------------- RECEPTOR residues for TARGET MET 3M HIS 4M PRO 5M ARG 6M ALA 7M ASP 8M TRP 9M TYR 10M GLU 11M LEU 12M THR 13M ARG 14M ALA 15M THR 16M ASN 17M TRP 18M THR 19M PRO 20M SER 21M TYR 22M VAL 23M THR 24M GLU 25M GLU 26M GLN 27M LEU 28M PHE 29M PRO 30M GLU 31M ARG 32M MET 33M SER 34M GLY 35M HIS 36M MET 37M GLY 38M ILE 39M PRO 40M LEU 41M GLU 42M LYS 43M TRP 44M GLU 45M SER 46M TYR 47M ASP 48M GLU 49M PRO 50M TYR 51M LYS 52M THR 53M SER 54M TYR 55M PRO 56M GLU 57M TYR 58M VAL 59M SER 60M ILE 61M GLN 62M ARG 63M GLU 64M LYS 65M ASP 66M ALA 67M GLY 68M ALA 69M TYR 70M SER 71M VAL 72M LYS 73M ALA 74M ALA 75M LEU 76M GLU 77M ARG 78M ALA 79M LYS 80M ILE 81M TYR 82M GLU 83M ASN 84M SER 85M ASP 86M PRO 87M GLY 88M TRP 89M ILE 90M SER 91M THR 92M LEU 93M LYS 94M SER 95M HIS 96M TYR 97M GLY 98M ALA 99M ILE 100M ALA 101M VAL 102M GLY 103M GLU 104M TYR 105M ALA 106M ALA 107M VAL 108M THR 109M GLY 110M GLU 111M GLY 112M ARG 113M MET 114M ALA 115M ARG 116M PHE 117M SER 118M LYS 119M ALA 120M PRO 121M GLY 122M ASN 123M ARG 124M ASN 125M MET 126M ALA 127M THR 128M PHE 129M GLY 130M MET 131M MET 132M ASP 133M GLU 134M LEU 135M ARG 136M HIS 137M GLY 138M GLN 139M LEU 140M GLN 141M LEU 142M PHE 143M PHE 144M PRO 145M HIS 146M GLU 147M TYR 148M CYS 149M LYS 150M LYS 151M ASP 152M ARG 153M GLN 154M PHE 155M ASP 156M TRP 157M ALA 158M TRP 159M ARG 160M ALA 161M TYR 162M HIS 163M SER 164M ASN 165M GLU 166M TRP 167M ALA 168M ALA 169M ILE 170M ALA 171M ALA 172M LYS 173M HIS 174M PHE 175M PHE 176M ASP 177M ASP 178M ILE 179M ILE 180M THR 181M GLY 182M ARG 183M ASP 184M ALA 185M ILE 186M SER 187M VAL 188M ALA 189M ILE 190M MET 191M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 212M ALA 213M GLU 214M ALA 215M GLY 216M ASP 217M TYR 218M THR 219M PHE 220M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ASP 230M GLU 231M SER 232M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M LEU 244M LEU 245M ILE 246M GLU 247M ASN 248M GLY 249M LYS 250M ARG 251M GLU 252M GLU 253M ALA 254M GLN 255M LYS 256M LYS 257M VAL 258M ASP 259M MET 260M ALA 261M ILE 262M TRP 263M ARG 264M ALA 265M TRP 266M ARG 267M LEU 268M PHE 269M ALA 270M VAL 271M LEU 272M THR 273M GLY 274M PRO 275M VAL 276M MET 277M ASP 278M TYR 279M TYR 280M THR 281M PRO 282M LEU 283M GLU 284M ASP 285M ARG 286M SER 287M GLN 288M SER 289M PHE 290M LYS 291M GLU 292M PHE 293M MET 294M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ILE 307M ASP 308M LEU 309M GLY 310M LEU 311M ASP 312M LYS 313M PRO 314M TRP 315M TYR 316M TRP 317M ASP 318M LEU 319M PHE 320M LEU 321M LYS 322M ASP 323M ILE 324M ASP 325M GLU 326M LEU 327M HIS 328M HIS 329M SER 330M TYR 331M HIS 332M MET 333M GLY 334M VAL 335M TRP 336M TYR 337M TRP 338M ARG 339M THR 340M THR 341M ALA 342M TRP 343M TRP 344M ASN 345M PRO 346M ALA 347M ALA 348M GLY 349M VAL 350M THR 351M PRO 352M GLU 353M GLU 354M ARG 355M ASP 356M TRP 357M LEU 358M GLU 359M GLU 360M LYS 361M TYR 362M PRO 363M GLY 364M TRP 365M ASN 366M LYS 367M ARG 368M TRP 369M GLY 370M ARG 371M CYS 372M TRP 373M ASP 374M VAL 375M ILE 376M THR 377M GLU 378M ASN 379M VAL 380M LEU 381M ASN 382M ASP 383M ARG 384M MET 385M ASP 386M LEU 387M VAL 388M SER 389M PRO 390M GLU 391M THR 392M LEU 393M PRO 394M SER 395M VAL 396M CYS 397M ASN 398M MET 399M SER 400M GLN 401M ILE 402M PRO 403M LEU 404M VAL 405M GLY 406M VAL 407M PRO 408M GLY 409M ASP 410M ASP 411M TRP 412M ASN 413M ILE 414M GLU 415M VAL 416M PHE 417M SER 418M LEU 419M GLU 420M HIS 421M ASN 422M GLY 423M ARG 424M LEU 425M TYR 426M HIS 427M PHE 428M GLY 429M SER 430M GLU 431M VAL 432M ASP 433M ARG 434M TRP 435M VAL 436M PHE 437M GLN 438M GLN 439M ASP 440M PRO 441M VAL 442M GLN 443M TYR 444M GLN 445M ASN 446M HIS 447M MET 448M ASN 449M ILE 450M VAL 451M ASP 452M ARG 453M PHE 454M LEU 455M ALA 456M GLY 457M GLN 458M ILE 459M GLN 460M PRO 461M MET 462M THR 463M LEU 464M GLU 465M GLY 466M ALA 467M LEU 468M LYS 469M TYR 470M MET 471M GLY 472M PHE 473M GLN 474M SER 475M ILE 476M GLU 477M GLU 478M MET 479M GLY 480M LYS 481M ASP 482M ALA 483M HIS 484M ASP 485M PHE 486M ALA 487M TRP 488M ALA 489M ASP 490M LYS 491M CYS 492M MET 3P HIS 4P PRO 5P ARG 6P ALA 7P ASP 8P TRP 9P TYR 10P GLU 11P LEU 12P THR 13P ARG 14P ALA 15P THR 16P ASN 17P TRP 18P THR 19P PRO 20P SER 21P TYR 22P VAL 23P THR 24P GLU 25P GLU 26P GLN 27P LEU 28P PHE 29P PRO 30P GLU 31P ARG 32P MET 33P SER 34P GLY 35P HIS 36P MET 37P GLY 38P ILE 39P PRO 40P LEU 41P GLU 42P LYS 43P TRP 44P GLU 45P SER 46P TYR 47P ASP 48P GLU 49P PRO 50P TYR 51P LYS 52P THR 53P SER 54P TYR 55P PRO 56P GLU 57P TYR 58P VAL 59P SER 60P ILE 61P GLN 62P ARG 63P GLU 64P LYS 65P ASP 66P ALA 67P GLY 68P ALA 69P TYR 70P SER 71P VAL 72P LYS 73P ALA 74P ALA 75P LEU 76P GLU 77P ARG 78P ALA 79P LYS 80P ILE 81P TYR 82P GLU 83P ASN 84P SER 85P ASP 86P PRO 87P GLY 88P TRP 89P ILE 90P SER 91P THR 92P LEU 93P LYS 94P SER 95P HIS 96P TYR 97P GLY 98P ALA 99P ILE 100P ALA 101P VAL 102P GLY 103P GLU 104P TYR 105P ALA 106P ALA 107P VAL 108P THR 109P GLY 110P GLU 111P GLY 112P ARG 113P MET 114P ALA 115P ARG 116P PHE 117P SER 118P LYS 119P ALA 120P PRO 121P GLY 122P ASN 123P ARG 124P ASN 125P MET 126P ALA 127P THR 128P PHE 129P GLY 130P MET 131P MET 132P ASP 133P GLU 134P LEU 135P ARG 136P HIS 137P GLY 138P GLN 139P LEU 140P GLN 141P LEU 142P PHE 143P PHE 144P PRO 145P HIS 146P GLU 147P TYR 148P CYS 149P LYS 150P LYS 151P ASP 152P ARG 153P GLN 154P PHE 155P ASP 156P TRP 157P ALA 158P TRP 159P ARG 160P ALA 161P TYR 162P HIS 163P SER 164P ASN 165P GLU 166P TRP 167P ALA 168P ALA 169P ILE 170P ALA 171P ALA 172P LYS 173P HIS 174P PHE 175P PHE 176P ASP 177P ASP 178P ILE 179P ILE 180P THR 181P GLY 182P ARG 183P ASP 184P ALA 185P ILE 186P SER 187P VAL 188P ALA 189P ILE 190P MET 191P LEU 192P THR 193P PHE 194P SER 195P PHE 196P GLU 197P THR 198P GLY 199P PHE 200P THR 201P ASN 202P MET 203P GLN 204P PHE 205P LEU 206P GLY 207P LEU 208P ALA 209P ALA 210P ASP 211P ALA 212P ALA 213P GLU 214P ALA 215P GLY 216P ASP 217P TYR 218P THR 219P PHE 220P ALA 221P ASN 222P LEU 223P ILE 224P SER 225P SER 226P ILE 227P GLN 228P THR 229P ASP 230P GLU 231P SER 232P ARG 233P HIS 234P ALA 235P GLN 236P GLN 237P GLY 238P GLY 239P PRO 240P ALA 241P LEU 242P GLN 243P LEU 244P LEU 245P ILE 246P GLU 247P ASN 248P GLY 249P LYS 250P ARG 251P GLU 252P GLU 253P ALA 254P GLN 255P LYS 256P LYS 257P VAL 258P ASP 259P MET 260P ALA 261P ILE 262P TRP 263P ARG 264P ALA 265P TRP 266P ARG 267P LEU 268P PHE 269P ALA 270P VAL 271P LEU 272P THR 273P GLY 274P PRO 275P VAL 276P MET 277P ASP 278P TYR 279P TYR 280P THR 281P PRO 282P LEU 283P GLU 284P ASP 285P ARG 286P SER 287P GLN 288P SER 289P PHE 290P LYS 291P GLU 292P PHE 293P MET 294P TYR 295P GLU 296P TRP 297P ILE 298P ILE 299P GLY 300P GLN 301P PHE 302P GLU 303P ARG 304P SER 305P LEU 306P ILE 307P ASP 308P LEU 309P GLY 310P LEU 311P ASP 312P LYS 313P PRO 314P TRP 315P TYR 316P TRP 317P ASP 318P LEU 319P PHE 320P LEU 321P LYS 322P ASP 323P ILE 324P ASP 325P GLU 326P LEU 327P HIS 328P HIS 329P SER 330P TYR 331P HIS 332P MET 333P GLY 334P VAL 335P TRP 336P TYR 337P TRP 338P ARG 339P THR 340P THR 341P ALA 342P TRP 343P TRP 344P ASN 345P PRO 346P ALA 347P ALA 348P GLY 349P VAL 350P THR 351P PRO 352P GLU 353P GLU 354P ARG 355P ASP 356P TRP 357P LEU 358P GLU 359P GLU 360P LYS 361P TYR 362P PRO 363P GLY 364P TRP 365P ASN 366P LYS 367P ARG 368P TRP 369P GLY 370P ARG 371P CYS 372P TRP 373P ASP 374P VAL 375P ILE 376P THR 377P GLU 378P ASN 379P VAL 380P LEU 381P ASN 382P ASP 383P ARG 384P MET 385P ASP 386P LEU 387P VAL 388P SER 389P PRO 390P GLU 391P THR 392P LEU 393P PRO 394P SER 395P VAL 396P CYS 397P ASN 398P MET 399P SER 400P GLN 401P ILE 402P PRO 403P LEU 404P VAL 405P GLY 406P VAL 407P PRO 408P GLY 409P ASP 410P ASP 411P TRP 412P ASN 413P ILE 414P GLU 415P VAL 416P PHE 417P SER 418P LEU 419P GLU 420P HIS 421P ASN 422P GLY 423P ARG 424P LEU 425P TYR 426P HIS 427P PHE 428P GLY 429P SER 430P GLU 431P VAL 432P ASP 433P ARG 434P TRP 435P VAL 436P PHE 437P GLN 438P GLN 439P ASP 440P PRO 441P VAL 442P GLN 443P TYR 444P GLN 445P ASN 446P HIS 447P MET 448P ASN 449P ILE 450P VAL 451P ASP 452P ARG 453P PHE 454P LEU 455P ALA 456P GLY 457P GLN 458P ILE 459P GLN 460P PRO 461P MET 462P THR 463P LEU 464P GLU 465P GLY 466P ALA 467P LEU 468P LYS 469P TYR 470P MET 471P GLY 472P PHE 473P GLN 474P SER 475P ILE 476P GLU 477P GLU 478P MET 479P GLY 480P LYS 481P ASP 482P ALA 483P HIS 484P ASP 485P PHE 486P ALA 487P TRP 488P ALA 489P ASP 490P LYS 491P CYS 492P PHE 3N GLU 4N SER 5N LYS 6N LYS 7N PRO 8N MET 9N ARG 10N THR 11N TRP 12N SER 13N HIS 14N LEU 15N ALA 16N GLU 17N MET 18N ARG 19N LYS 20N LYS 21N PRO 22N SER 23N GLU 24N TYR 25N ASP 26N ILE 27N VAL 28N SER 29N ARG 30N LYS 31N LEU 32N HIS 33N TYR 34N SER 35N THR 36N ASN 37N ASN 38N PRO 39N ASP 40N SER 41N PRO 42N TRP 43N GLU 44N LEU 45N SER 46N PRO 47N ASP 48N SER 49N PRO 50N MET 51N ASN 52N LEU 53N TRP 54N TYR 55N LYS 56N GLN 57N TYR 58N ARG 59N ASN 60N ALA 61N SER 62N PRO 63N LEU 64N LYS 65N HIS 66N ASP 67N ASN 68N TRP 69N ASP 70N ALA 71N PHE 72N THR 73N ASP 74N PRO 75N ASP 76N GLN 77N LEU 78N VAL 79N TYR 80N ARG 81N THR 82N TYR 83N ASN 84N LEU 85N MET 86N GLN 87N ASP 88N GLY 89N GLN 90N GLU 91N SER 92N TYR 93N VAL 94N GLN 95N SER 96N LEU 97N PHE 98N ASP 99N GLN 100N PHE 101N ASN 102N GLU 103N ARG 104N GLU 105N HIS 106N ASP 107N GLN 108N MET 109N VAL 110N ARG 111N GLU 112N GLY 113N TRP 114N GLU 115N HIS 116N THR 117N MET 118N ALA 119N ARG 120N CYS 121N TYR 122N SER 123N PRO 124N LEU 125N ARG 126N TYR 127N LEU 128N PHE 129N HIS 130N CYS 131N LEU 132N GLN 133N MET 134N SER 135N SER 136N ALA 137N TYR 138N VAL 139N GLN 140N GLN 141N MET 142N ALA 143N PRO 144N ALA 145N SER 146N THR 147N ILE 148N SER 149N ASN 150N CYS 151N CYS 152N ILE 153N LEU 154N GLN 155N THR 156N ALA 157N ASP 158N SER 159N LEU 160N ARG 161N TRP 162N LEU 163N THR 164N HIS 165N THR 166N ALA 167N TYR 168N ARG 169N THR 170N HIS 171N GLU 172N LEU 173N SER 174N LEU 175N THR 176N TYR 177N PRO 178N ASP 179N ALA 180N GLY 181N LEU 182N GLY 183N GLU 184N HIS 185N GLU 186N ARG 187N GLU 188N LEU 189N TRP 190N GLU 191N LYS 192N GLU 193N PRO 194N GLY 195N TRP 196N GLN 197N GLY 198N LEU 199N ARG 200N GLU 201N LEU 202N MET 203N GLU 204N LYS 205N GLN 206N LEU 207N THR 208N ALA 209N PHE 210N ASP 211N TRP 212N GLY 213N GLU 214N ALA 215N PHE 216N VAL 217N SER 218N LEU 219N ASN 220N LEU 221N VAL 222N VAL 223N LYS 224N PRO 225N MET 226N ILE 227N VAL 228N GLU 229N SER 230N ILE 231N PHE 232N LYS 233N PRO 234N LEU 235N GLN 236N GLN 237N GLN 238N ALA 239N TRP 240N GLU 241N ASN 242N ASN 243N ASP 244N THR 245N LEU 246N LEU 247N PRO 248N LEU 249N LEU 250N ILE 251N ASP 252N SER 253N GLN 254N LEU 255N LYS 256N ASP 257N ALA 258N GLU 259N ARG 260N HIS 261N SER 262N ARG 263N TRP 264N SER 265N LYS 266N ALA 267N LEU 268N VAL 269N LYS 270N HIS 271N ALA 272N LEU 273N GLU 274N ASN 275N PRO 276N ASP 277N ASN 278N HIS 279N ALA 280N VAL 281N ILE 282N GLU 283N GLY 284N TRP 285N ILE 286N GLU 287N LYS 288N TRP 289N ARG 290N PRO 291N LEU 292N ALA 293N ASP 294N ARG 295N ALA 296N ALA 297N GLU 298N ALA 299N TYR 300N LEU 301N SER 302N MET 303N LEU 304N PHE 3Q GLU 4Q SER 5Q LYS 6Q LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q TRP 12Q SER 13Q HIS 14Q LEU 15Q ALA 16Q GLU 17Q MET 18Q ARG 19Q LYS 20Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q VAL 28Q SER 29Q ARG 30Q LYS 31Q LEU 32Q HIS 33Q TYR 34Q SER 35Q THR 36Q ASN 37Q ASN 38Q PRO 39Q ASP 40Q SER 41Q PRO 42Q TRP 43Q GLU 44Q LEU 45Q SER 46Q PRO 47Q ASP 48Q SER 49Q PRO 50Q MET 51Q ASN 52Q LEU 53Q TRP 54Q TYR 55Q LYS 56Q GLN 57Q TYR 58Q ARG 59Q ASN 60Q ALA 61Q SER 62Q PRO 63Q LEU 64Q LYS 65Q HIS 66Q ASP 67Q ASN 68Q TRP 69Q ASP 70Q ALA 71Q PHE 72Q THR 73Q ASP 74Q PRO 75Q ASP 76Q GLN 77Q LEU 78Q VAL 79Q TYR 80Q ARG 81Q THR 82Q TYR 83Q ASN 84Q LEU 85Q MET 86Q GLN 87Q ASP 88Q GLY 89Q GLN 90Q GLU 91Q SER 92Q TYR 93Q VAL 94Q GLN 95Q SER 96Q LEU 97Q PHE 98Q ASP 99Q GLN 100Q PHE 101Q ASN 102Q GLU 103Q ARG 104Q GLU 105Q HIS 106Q ASP 107Q GLN 108Q MET 109Q VAL 110Q ARG 111Q GLU 112Q GLY 113Q TRP 114Q GLU 115Q HIS 116Q THR 117Q MET 118Q ALA 119Q ARG 120Q CYS 121Q TYR 122Q SER 123Q PRO 124Q LEU 125Q ARG 126Q TYR 127Q LEU 128Q PHE 129Q HIS 130Q CYS 131Q LEU 132Q GLN 133Q MET 134Q SER 135Q SER 136Q ALA 137Q TYR 138Q VAL 139Q GLN 140Q GLN 141Q MET 142Q ALA 143Q PRO 144Q ALA 145Q SER 146Q THR 147Q ILE 148Q SER 149Q ASN 150Q CYS 151Q CYS 152Q ILE 153Q LEU 154Q GLN 155Q THR 156Q ALA 157Q ASP 158Q SER 159Q LEU 160Q ARG 161Q TRP 162Q LEU 163Q THR 164Q HIS 165Q THR 166Q ALA 167Q TYR 168Q ARG 169Q THR 170Q HIS 171Q GLU 172Q LEU 173Q SER 174Q LEU 175Q THR 176Q TYR 177Q PRO 178Q ASP 179Q ALA 180Q GLY 181Q LEU 182Q GLY 183Q GLU 184Q HIS 185Q GLU 186Q ARG 187Q GLU 188Q LEU 189Q TRP 190Q GLU 191Q LYS 192Q GLU 193Q PRO 194Q GLY 195Q TRP 196Q GLN 197Q GLY 198Q LEU 199Q ARG 200Q GLU 201Q LEU 202Q MET 203Q GLU 204Q LYS 205Q GLN 206Q LEU 207Q THR 208Q ALA 209Q PHE 210Q ASP 211Q TRP 212Q GLY 213Q GLU 214Q ALA 215Q PHE 216Q VAL 217Q SER 218Q LEU 219Q ASN 220Q LEU 221Q VAL 222Q VAL 223Q LYS 224Q PRO 225Q MET 226Q ILE 227Q VAL 228Q GLU 229Q SER 230Q ILE 231Q PHE 232Q LYS 233Q PRO 234Q LEU 235Q GLN 236Q GLN 237Q GLN 238Q ALA 239Q TRP 240Q GLU 241Q ASN 242Q ASN 243Q ASP 244Q THR 245Q LEU 246Q LEU 247Q PRO 248Q LEU 249Q LEU 250Q ILE 251Q ASP 252Q SER 253Q GLN 254Q LEU 255Q LYS 256Q ASP 257Q ALA 258Q GLU 259Q ARG 260Q HIS 261Q SER 262Q ARG 263Q TRP 264Q SER 265Q LYS 266Q ALA 267Q LEU 268Q VAL 269Q LYS 270Q HIS 271Q ALA 272Q LEU 273Q GLU 274Q ASN 275Q PRO 276Q ASP 277Q ASN 278Q HIS 279Q ALA 280Q VAL 281Q ILE 282Q GLU 283Q GLY 284Q TRP 285Q ILE 286Q GLU 287Q LYS 288Q TRP 289Q ARG 290Q PRO 291Q LEU 292Q ALA 293Q ASP 294Q ARG 295Q ALA 296Q ALA 297Q GLU 298Q ALA 299Q TYR 300Q LEU 301Q SER 302Q MET 303Q LEU 304Q PHE 4O PRO 5O VAL 6O HIS 7O ALA 8O ALA 9O PHE 10O GLU 11O LYS 12O ASP 13O PHE 14O LEU 15O VAL 16O GLN 17O LEU 18O VAL 19O VAL 20O VAL 21O ASP 22O LEU 23O ASN 24O ASP 25O SER 26O MET 27O ASP 28O GLN 29O VAL 30O ALA 31O GLU 32O LYS 33O VAL 34O ALA 35O TYR 36O HIS 37O CYS 38O VAL 39O ASN 40O ARG 41O ARG 42O VAL 43O ALA 44O PRO 45O ARG 46O GLU 47O GLY 48O VAL 49O MET 50O ARG 51O VAL 52O ARG 53O LYS 54O HIS 55O ARG 56O SER 57O THR 58O GLU 59O LEU 60O PHE 61O PRO 62O ARG 63O ASP 64O MET 65O THR 66O ILE 67O ALA 68O GLU 69O SER 70O GLY 71O LEU 72O ASN 73O PRO 74O THR 75O GLU 76O VAL 77O ILE 78O ASP 79O VAL 80O VAL 81O PHE 82O PHE 4R PRO 5R VAL 6R HIS 7R ALA 8R ALA 9R PHE 10R GLU 11R LYS 12R ASP 13R PHE 14R LEU 15R VAL 16R GLN 17R LEU 18R VAL 19R VAL 20R VAL 21R ASP 22R LEU 23R ASN 24R ASP 25R SER 26R MET 27R ASP 28R GLN 29R VAL 30R ALA 31R GLU 32R LYS 33R VAL 34R ALA 35R TYR 36R HIS 37R CYS 38R VAL 39R ASN 40R ARG 41R ARG 42R VAL 43R ALA 44R PRO 45R ARG 46R GLU 47R GLY 48R VAL 49R MET 50R ARG 51R VAL 52R ARG 53R LYS 54R HIS 55R ARG 56R SER 57R THR 58R GLU 59R LEU 60R PHE 61R PRO 62R ARG 63R ASP 64R MET 65R THR 66R ILE 67R ALA 68R GLU 69R SER 70R GLY 71R LEU 72R ASN 73R PRO 74R THR 75R GLU 76R VAL 77R ILE 78R ASP 79R VAL 80R VAL 81R PHE 82R MHPRADWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKCMHPRADWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKCFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSMLFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSMLFPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVFFPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVF PROJECTED RECEPTOR residues for PREDICTION MET 3A HIS 4A PRO 5A ARG 6A LYS 7A ASP 8A TRP 9A TYR 10A GLU 11A LEU 12A THR 13A ARG 14A ALA 15A THR 16A ASN 17A TRP 18A THR 19A PRO 20A SER 21A TYR 22A VAL 23A THR 24A GLU 25A GLU 26A GLN 27A LEU 28A PHE 29A PRO 30A GLU 31A ARG 32A MET 33A SER 34A GLY 35A HIS 36A MET 37A GLY 38A ILE 39A PRO 40A LEU 41A GLU 42A LYS 43A TRP 44A GLU 45A SER 46A TYR 47A ASP 48A GLU 49A PRO 50A TYR 51A LYS 52A THR 53A SER 54A TYR 55A PRO 56A GLU 57A TYR 58A VAL 59A SER 60A ILE 61A GLN 62A ARG 63A GLU 64A LYS 65A ASP 66A ALA 67A GLY 68A ALA 69A TYR 70A SER 71A VAL 72A LYS 73A ALA 74A ALA 75A LEU 76A GLU 77A ARG 78A ALA 79A LYS 80A ILE 81A TYR 82A GLU 83A ASN 84A SER 85A ASP 86A PRO 87A GLY 88A TRP 89A ILE 90A SER 91A THR 92A LEU 93A LYS 94A SER 95A HIS 96A TYR 97A GLY 98A ALA 99A ILE 100A ALA 101A VAL 102A GLY 103A GLU 104A TYR 105A ALA 106A ALA 107A VAL 108A THR 109A GLY 110A GLU 111A GLY 112A ARG 113A MET 114A ALA 115A ARG 116A PHE 117A SER 118A LYS 119A ALA 120A PRO 121A GLY 122A ASN 123A ARG 124A ASN 125A MET 126A ALA 127A THR 128A PHE 129A GLY 130A MET 131A MET 132A ASP 133A GLU 134A LEU 135A ARG 136A HIS 137A GLY 138A GLN 139A LEU 140A GLN 141A LEU 142A PHE 143A PHE 144A PRO 145A HIS 146A GLU 147A TYR 148A CYS 149A LYS 150A LYS 151A ASP 152A ARG 153A GLN 154A PHE 155A ASP 156A TRP 157A ALA 158A TRP 159A ARG 160A ALA 161A TYR 162A HIS 163A SER 164A ASN 165A GLU 166A TRP 167A ALA 168A ALA 169A ILE 170A ALA 171A ALA 172A LYS 173A HIS 174A PHE 175A PHE 176A ASP 177A ASP 178A ILE 179A ILE 180A THR 181A GLY 182A ARG 183A ASP 184A ALA 185A ILE 186A SER 187A VAL 188A ALA 189A ILE 190A MET 191A LEU 192A THR 193A PHE 194A SER 195A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 212A ALA 213A GLU 214A ALA 215A GLY 216A ASP 217A TYR 218A THR 219A PHE 220A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ASP 230A GLU 231A SER 232A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A GLY 239A PRO 240A ALA 241A LEU 242A GLN 243A LEU 244A LEU 245A ILE 246A GLU 247A ASN 248A GLY 249A LYS 250A ARG 251A GLU 252A GLU 253A ALA 254A GLN 255A LYS 256A LYS 257A VAL 258A ASP 259A MET 260A ALA 261A ILE 262A TRP 263A ARG 264A ALA 265A TRP 266A ARG 267A LEU 268A PHE 269A ALA 270A VAL 271A LEU 272A THR 273A GLY 274A PRO 275A VAL 276A MET 277A ASP 278A TYR 279A TYR 280A THR 281A PRO 282A LEU 283A GLU 284A ASP 285A ARG 286A SER 287A GLN 288A SER 289A PHE 290A LYS 291A GLU 292A PHE 293A MET 294A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ILE 307A ASP 308A LEU 309A GLY 310A LEU 311A ASP 312A LYS 313A PRO 314A TRP 315A TYR 316A TRP 317A ASP 318A LEU 319A PHE 320A LEU 321A LYS 322A ASP 323A ILE 324A ASP 325A GLU 326A LEU 327A HIS 328A HIS 329A SER 330A TYR 331A HIS 332A MET 333A GLY 334A VAL 335A TRP 336A TYR 337A TRP 338A ARG 339A THR 340A THR 341A ALA 342A TRP 343A TRP 344A ASN 345A PRO 346A ALA 347A ALA 348A GLY 349A VAL 350A THR 351A PRO 352A GLU 353A GLU 354A ARG 355A ASP 356A TRP 357A LEU 358A GLU 359A GLU 360A LYS 361A TYR 362A PRO 363A GLY 364A TRP 365A ASN 366A LYS 367A ARG 368A TRP 369A GLY 370A ARG 371A CYS 372A TRP 373A ASP 374A VAL 375A ILE 376A THR 377A GLU 378A ASN 379A VAL 380A LEU 381A ASN 382A ASP 383A ARG 384A MET 385A ASP 386A LEU 387A VAL 388A SER 389A PRO 390A GLU 391A THR 392A LEU 393A PRO 394A SER 395A VAL 396A CYS 397A ASN 398A MET 399A SER 400A GLN 401A ILE 402A PRO 403A LEU 404A VAL 405A GLY 406A VAL 407A PRO 408A GLY 409A ASP 410A ASP 411A TRP 412A ASN 413A ILE 414A GLU 415A VAL 416A PHE 417A SER 418A LEU 419A GLU 420A HIS 421A ASN 422A GLY 423A ARG 424A LEU 425A TYR 426A HIS 427A PHE 428A GLY 429A SER 430A GLU 431A VAL 432A ASP 433A ARG 434A TRP 435A VAL 436A PHE 437A GLN 438A GLN 439A ASP 440A PRO 441A VAL 442A GLN 443A TYR 444A GLN 445A ASN 446A HIS 447A MET 448A ASN 449A ILE 450A VAL 451A ASP 452A ARG 453A PHE 454A LEU 455A ALA 456A GLY 457A GLN 458A ILE 459A GLN 460A PRO 461A MET 462A THR 463A LEU 464A GLU 465A GLY 466A ALA 467A LEU 468A LYS 469A TYR 470A MET 471A GLY 472A PHE 473A GLN 474A SER 475A ILE 476A GLU 477A GLU 478A MET 479A GLY 480A LYS 481A ASP 482A ALA 483A HIS 484A ASP 485A PHE 486A ALA 487A TRP 488A ALA 489A ASP 490A LYS 491A CYS 492A MET 3D HIS 4D PRO 5D ARG 6D LYS 7D ASP 8D TRP 9D TYR 10D GLU 11D LEU 12D THR 13D ARG 14D ALA 15D THR 16D ASN 17D TRP 18D THR 19D PRO 20D SER 21D TYR 22D VAL 23D THR 24D GLU 25D GLU 26D GLN 27D LEU 28D PHE 29D PRO 30D GLU 31D ARG 32D MET 33D SER 34D GLY 35D HIS 36D MET 37D GLY 38D ILE 39D PRO 40D LEU 41D GLU 42D LYS 43D TRP 44D GLU 45D SER 46D TYR 47D ASP 48D GLU 49D PRO 50D TYR 51D LYS 52D THR 53D SER 54D TYR 55D PRO 56D GLU 57D TYR 58D VAL 59D SER 60D ILE 61D GLN 62D ARG 63D GLU 64D LYS 65D ASP 66D ALA 67D GLY 68D ALA 69D TYR 70D SER 71D VAL 72D LYS 73D ALA 74D ALA 75D LEU 76D GLU 77D ARG 78D ALA 79D LYS 80D ILE 81D TYR 82D GLU 83D ASN 84D SER 85D ASP 86D PRO 87D GLY 88D TRP 89D ILE 90D SER 91D THR 92D LEU 93D LYS 94D SER 95D HIS 96D TYR 97D GLY 98D ALA 99D ILE 100D ALA 101D VAL 102D GLY 103D GLU 104D TYR 105D ALA 106D ALA 107D VAL 108D THR 109D GLY 110D GLU 111D GLY 112D ARG 113D MET 114D ALA 115D ARG 116D PHE 117D SER 118D LYS 119D ALA 120D PRO 121D GLY 122D ASN 123D ARG 124D ASN 125D MET 126D ALA 127D THR 128D PHE 129D GLY 130D MET 131D MET 132D ASP 133D GLU 134D LEU 135D ARG 136D HIS 137D GLY 138D GLN 139D LEU 140D GLN 141D LEU 142D PHE 143D PHE 144D PRO 145D HIS 146D GLU 147D TYR 148D CYS 149D LYS 150D LYS 151D ASP 152D ARG 153D GLN 154D PHE 155D ASP 156D TRP 157D ALA 158D TRP 159D ARG 160D ALA 161D TYR 162D HIS 163D SER 164D ASN 165D GLU 166D TRP 167D ALA 168D ALA 169D ILE 170D ALA 171D ALA 172D LYS 173D HIS 174D PHE 175D PHE 176D ASP 177D ASP 178D ILE 179D ILE 180D THR 181D GLY 182D ARG 183D ASP 184D ALA 185D ILE 186D SER 187D VAL 188D ALA 189D ILE 190D MET 191D LEU 192D THR 193D PHE 194D SER 195D PHE 196D GLU 197D THR 198D GLY 199D PHE 200D THR 201D ASN 202D MET 203D GLN 204D PHE 205D LEU 206D GLY 207D LEU 208D ALA 209D ALA 210D ASP 211D ALA 212D ALA 213D GLU 214D ALA 215D GLY 216D ASP 217D TYR 218D THR 219D PHE 220D ALA 221D ASN 222D LEU 223D ILE 224D SER 225D SER 226D ILE 227D GLN 228D THR 229D ASP 230D GLU 231D SER 232D ARG 233D HIS 234D ALA 235D GLN 236D GLN 237D GLY 238D GLY 239D PRO 240D ALA 241D LEU 242D GLN 243D LEU 244D LEU 245D ILE 246D GLU 247D ASN 248D GLY 249D LYS 250D ARG 251D GLU 252D GLU 253D ALA 254D GLN 255D LYS 256D LYS 257D VAL 258D ASP 259D MET 260D ALA 261D ILE 262D TRP 263D ARG 264D ALA 265D TRP 266D ARG 267D LEU 268D PHE 269D ALA 270D VAL 271D LEU 272D THR 273D GLY 274D PRO 275D VAL 276D MET 277D ASP 278D TYR 279D TYR 280D THR 281D PRO 282D LEU 283D GLU 284D ASP 285D ARG 286D SER 287D GLN 288D SER 289D PHE 290D LYS 291D GLU 292D PHE 293D MET 294D TYR 295D GLU 296D TRP 297D ILE 298D ILE 299D GLY 300D GLN 301D PHE 302D GLU 303D ARG 304D SER 305D LEU 306D ILE 307D ASP 308D LEU 309D GLY 310D LEU 311D ASP 312D LYS 313D PRO 314D TRP 315D TYR 316D TRP 317D ASP 318D LEU 319D PHE 320D LEU 321D LYS 322D ASP 323D ILE 324D ASP 325D GLU 326D LEU 327D HIS 328D HIS 329D SER 330D TYR 331D HIS 332D MET 333D GLY 334D VAL 335D TRP 336D TYR 337D TRP 338D ARG 339D THR 340D THR 341D ALA 342D TRP 343D TRP 344D ASN 345D PRO 346D ALA 347D ALA 348D GLY 349D VAL 350D THR 351D PRO 352D GLU 353D GLU 354D ARG 355D ASP 356D TRP 357D LEU 358D GLU 359D GLU 360D LYS 361D TYR 362D PRO 363D GLY 364D TRP 365D ASN 366D LYS 367D ARG 368D TRP 369D GLY 370D ARG 371D CYS 372D TRP 373D ASP 374D VAL 375D ILE 376D THR 377D GLU 378D ASN 379D VAL 380D LEU 381D ASN 382D ASP 383D ARG 384D MET 385D ASP 386D LEU 387D VAL 388D SER 389D PRO 390D GLU 391D THR 392D LEU 393D PRO 394D SER 395D VAL 396D CYS 397D ASN 398D MET 399D SER 400D GLN 401D ILE 402D PRO 403D LEU 404D VAL 405D GLY 406D VAL 407D PRO 408D GLY 409D ASP 410D ASP 411D TRP 412D ASN 413D ILE 414D GLU 415D VAL 416D PHE 417D SER 418D LEU 419D GLU 420D HIS 421D ASN 422D GLY 423D ARG 424D LEU 425D TYR 426D HIS 427D PHE 428D GLY 429D SER 430D GLU 431D VAL 432D ASP 433D ARG 434D TRP 435D VAL 436D PHE 437D GLN 438D GLN 439D ASP 440D PRO 441D VAL 442D GLN 443D TYR 444D GLN 445D ASN 446D HIS 447D MET 448D ASN 449D ILE 450D VAL 451D ASP 452D ARG 453D PHE 454D LEU 455D ALA 456D GLY 457D GLN 458D ILE 459D GLN 460D PRO 461D MET 462D THR 463D LEU 464D GLU 465D GLY 466D ALA 467D LEU 468D LYS 469D TYR 470D MET 471D GLY 472D PHE 473D GLN 474D SER 475D ILE 476D GLU 477D GLU 478D MET 479D GLY 480D LYS 481D ASP 482D ALA 483D HIS 484D ASP 485D PHE 486D ALA 487D TRP 488D ALA 489D ASP 490D LYS 491D CYS 492D PHE 3B GLU 4B SER 5B LYS 6B LYS 7B PRO 8B MET 9B ARG 10B THR 11B TRP 12B SER 13B HIS 14B LEU 15B ALA 16B GLU 17B MET 18B ARG 19B LYS 20B LYS 21B PRO 22B SER 23B GLU 24B TYR 25B ASP 26B ILE 27B VAL 28B SER 29B ARG 30B LYS 31B LEU 32B HIS 33B TYR 34B SER 35B THR 36B ASN 37B ASN 38B PRO 39B ASP 40B SER 41B PRO 42B TRP 43B GLU 44B LEU 45B SER 46B PRO 47B ASP 48B SER 49B PRO 50B MET 51B ASN 52B LEU 53B TRP 54B TYR 55B LYS 56B GLN 57B TYR 58B ARG 59B ASN 60B ALA 61B SER 62B PRO 63B LEU 64B LYS 65B HIS 66B ASP 67B ASN 68B TRP 69B ASP 70B ALA 71B PHE 72B THR 73B ASP 74B PRO 75B ASP 76B GLN 77B LEU 78B VAL 79B TYR 80B ARG 81B THR 82B TYR 83B ASN 84B LEU 85B MET 86B GLN 87B ASP 88B GLY 89B GLN 90B GLU 91B SER 92B TYR 93B VAL 94B GLN 95B SER 96B LEU 97B PHE 98B ASP 99B GLN 100B PHE 101B ASN 102B GLU 103B ARG 104B GLU 105B HIS 106B ASP 107B GLN 108B MET 109B VAL 110B ARG 111B GLU 112B GLY 113B TRP 114B GLU 115B HIS 116B THR 117B MET 118B ALA 119B ARG 120B CYS 121B TYR 122B SER 123B PRO 124B LEU 125B ARG 126B TYR 127B LEU 128B PHE 129B HIS 130B CYS 131B LEU 132B GLN 133B MET 134B SER 135B SER 136B ALA 137B TYR 138B VAL 139B GLN 140B GLN 141B MET 142B ALA 143B PRO 144B ALA 145B SER 146B THR 147B ILE 148B SER 149B ASN 150B CYS 151B CYS 152B ILE 153B LEU 154B GLN 155B THR 156B ALA 157B ASP 158B SER 159B LEU 160B ARG 161B TRP 162B LEU 163B THR 164B HIS 165B THR 166B ALA 167B TYR 168B ARG 169B THR 170B HIS 171B GLU 172B LEU 173B SER 174B LEU 175B THR 176B TYR 177B PRO 178B ASP 179B ALA 180B GLY 181B LEU 182B GLY 183B GLU 184B HIS 185B GLU 186B ARG 187B GLU 188B LEU 189B TRP 190B GLU 191B LYS 192B GLU 193B PRO 194B GLY 195B TRP 196B GLN 197B GLY 198B LEU 199B ARG 200B GLU 201B LEU 202B MET 203B GLU 204B LYS 205B GLN 206B LEU 207B THR 208B ALA 209B PHE 210B ASP 211B TRP 212B GLY 213B GLU 214B ALA 215B PHE 216B VAL 217B SER 218B LEU 219B ASN 220B LEU 221B VAL 222B VAL 223B LYS 224B PRO 225B MET 226B ILE 227B VAL 228B GLU 229B SER 230B ILE 231B PHE 232B LYS 233B PRO 234B LEU 235B GLN 236B GLN 237B GLN 238B ALA 239B TRP 240B GLU 241B ASN 242B ASN 243B ASP 244B THR 245B LEU 246B LEU 247B PRO 248B LEU 249B LEU 250B ILE 251B ASP 252B SER 253B GLN 254B LEU 255B LYS 256B ASP 257B ALA 258B GLU 259B ARG 260B HIS 261B SER 262B ARG 263B TRP 264B SER 265B LYS 266B ALA 267B LEU 268B VAL 269B LYS 270B HIS 271B ALA 272B LEU 273B GLU 274B ASN 275B PRO 276B ASP 277B ASN 278B HIS 279B ALA 280B VAL 281B ILE 282B GLU 283B GLY 284B TRP 285B ILE 286B GLU 287B LYS 288B TRP 289B ARG 290B PRO 291B LEU 292B ALA 293B ASP 294B ARG 295B ALA 296B ALA 297B GLU 298B ALA 299B TYR 300B LEU 301B SER 302B MET 303B LEU 304B PHE 3E GLU 4E SER 5E LYS 6E LYS 7E PRO 8E MET 9E ARG 10E THR 11E TRP 12E SER 13E HIS 14E LEU 15E ALA 16E GLU 17E MET 18E ARG 19E LYS 20E LYS 21E PRO 22E SER 23E GLU 24E TYR 25E ASP 26E ILE 27E VAL 28E SER 29E ARG 30E LYS 31E LEU 32E HIS 33E TYR 34E SER 35E THR 36E ASN 37E ASN 38E PRO 39E ASP 40E SER 41E PRO 42E TRP 43E GLU 44E LEU 45E SER 46E PRO 47E ASP 48E SER 49E PRO 50E MET 51E ASN 52E LEU 53E TRP 54E TYR 55E LYS 56E GLN 57E TYR 58E ARG 59E ASN 60E ALA 61E SER 62E PRO 63E LEU 64E LYS 65E HIS 66E ASP 67E ASN 68E TRP 69E ASP 70E ALA 71E PHE 72E THR 73E ASP 74E PRO 75E ASP 76E GLN 77E LEU 78E VAL 79E TYR 80E ARG 81E THR 82E TYR 83E ASN 84E LEU 85E MET 86E GLN 87E ASP 88E GLY 89E GLN 90E GLU 91E SER 92E TYR 93E VAL 94E GLN 95E SER 96E LEU 97E PHE 98E ASP 99E GLN 100E PHE 101E ASN 102E GLU 103E ARG 104E GLU 105E HIS 106E ASP 107E GLN 108E MET 109E VAL 110E ARG 111E GLU 112E GLY 113E TRP 114E GLU 115E HIS 116E THR 117E MET 118E ALA 119E ARG 120E CYS 121E TYR 122E SER 123E PRO 124E LEU 125E ARG 126E TYR 127E LEU 128E PHE 129E HIS 130E CYS 131E LEU 132E GLN 133E MET 134E SER 135E SER 136E ALA 137E TYR 138E VAL 139E GLN 140E GLN 141E MET 142E ALA 143E PRO 144E ALA 145E SER 146E THR 147E ILE 148E SER 149E ASN 150E CYS 151E CYS 152E ILE 153E LEU 154E GLN 155E THR 156E ALA 157E ASP 158E SER 159E LEU 160E ARG 161E TRP 162E LEU 163E THR 164E HIS 165E THR 166E ALA 167E TYR 168E ARG 169E THR 170E HIS 171E GLU 172E LEU 173E SER 174E LEU 175E THR 176E TYR 177E PRO 178E ASP 179E ALA 180E GLY 181E LEU 182E GLY 183E GLU 184E HIS 185E GLU 186E ARG 187E GLU 188E LEU 189E TRP 190E GLU 191E LYS 192E GLU 193E PRO 194E GLY 195E TRP 196E GLN 197E GLY 198E LEU 199E ARG 200E GLU 201E LEU 202E MET 203E GLU 204E LYS 205E GLN 206E LEU 207E THR 208E ALA 209E PHE 210E ASP 211E TRP 212E GLY 213E GLU 214E ALA 215E PHE 216E VAL 217E SER 218E LEU 219E ASN 220E LEU 221E VAL 222E VAL 223E LYS 224E PRO 225E MET 226E ILE 227E VAL 228E GLU 229E SER 230E ILE 231E PHE 232E LYS 233E PRO 234E LEU 235E GLN 236E GLN 237E GLN 238E ALA 239E TRP 240E GLU 241E ASN 242E ASN 243E ASP 244E THR 245E LEU 246E LEU 247E PRO 248E LEU 249E LEU 250E ILE 251E ASP 252E SER 253E GLN 254E LEU 255E LYS 256E ASP 257E ALA 258E GLU 259E ARG 260E HIS 261E SER 262E ARG 263E TRP 264E SER 265E LYS 266E ALA 267E LEU 268E VAL 269E LYS 270E HIS 271E ALA 272E LEU 273E GLU 274E ASN 275E PRO 276E ASP 277E ASN 278E HIS 279E ALA 280E VAL 281E ILE 282E GLU 283E GLY 284E TRP 285E ILE 286E GLU 287E LYS 288E TRP 289E ARG 290E PRO 291E LEU 292E ALA 293E ASP 294E ARG 295E ALA 296E ALA 297E GLU 298E ALA 299E TYR 300E LEU 301E SER 302E MET 303E LEU 304E PHE 4C PRO 5C VAL 6C HIS 7C ALA 8C ALA 9C PHE 10C GLU 11C LYS 12C ASP 13C PHE 14C LEU 15C VAL 16C GLN 17C LEU 18C VAL 19C VAL 20C VAL 21C ASP 22C LEU 23C ASN 24C ASP 25C SER 26C MET 27C ASP 28C GLN 29C VAL 30C ALA 31C GLU 32C LYS 33C VAL 34C ALA 35C TYR 36C HIS 37C CYS 38C VAL 39C ASN 40C ARG 41C ARG 42C VAL 43C ALA 44C PRO 45C ARG 46C GLU 47C GLY 48C VAL 49C MET 50C ARG 51C VAL 52C ARG 53C LYS 54C HIS 55C ARG 56C SER 57C THR 58C GLU 59C LEU 60C PHE 61C PRO 62C ARG 63C ASP 64C MET 65C THR 66C ILE 67C ALA 68C GLU 69C SER 70C GLY 71C LEU 72C ASN 73C PRO 74C THR 75C GLU 76C VAL 77C ILE 78C ASP 79C VAL 80C VAL 81C PHE 82C PHE 4F PRO 5F VAL 6F HIS 7F ALA 8F ALA 9F PHE 10F GLU 11F LYS 12F ASP 13F PHE 14F LEU 15F VAL 16F GLN 17F LEU 18F VAL 19F VAL 20F VAL 21F ASP 22F LEU 23F ASN 24F ASP 25F SER 26F MET 27F ASP 28F GLN 29F VAL 30F ALA 31F GLU 32F LYS 33F VAL 34F ALA 35F TYR 36F HIS 37F CYS 38F VAL 39F ASN 40F ARG 41F ARG 42F VAL 43F ALA 44F PRO 45F ARG 46F GLU 47F GLY 48F VAL 49F MET 50F ARG 51F VAL 52F ARG 53F LYS 54F HIS 55F ARG 56F SER 57F THR 58F GLU 59F LEU 60F PHE 61F PRO 62F ARG 63F ASP 64F MET 65F THR 66F ILE 67F ALA 68F GLU 69F SER 70F GLY 71F LEU 72F ASN 73F PRO 74F THR 75F GLU 76F VAL 77F ILE 78F ASP 79F VAL 80F VAL 81F PHE 82F MHPRKDWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKCMHPRKDWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPYKTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQIPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKCFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSMLFESKKPMRTWSHLAEMRKKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLKHDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDQMVREGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELSLTYPDAGLGEHERELWEKEPGWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSMLFPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVFFPVHAAFEKDFLVQLVVVDLNDSMDQVAEKVAYHCVNRRVAPREGVMRVRKHRSTELFPRDMTIAESGLNPTEVIDVVF -------------------------------------------------------------------------------- C A L C U L A T I O N o f N A T I V E C O N T A C T S -------------------------------------------------------------------------------- Number of Close Contacts: 69 Number of Clashes: 12 TARGET NATIVE CONTACTS: 48 PREDICTION NO CONTACTS: 69 of which native: 2 and non-native: 67 f(nat) = 0.0417 f(nonnat) = 0.9710 -------------------------------------------------------------------------------- CALCULATION of NATIVE INTERFACE RESIDUES -------------------------------------------------------------------------------- LIGAND TARGET NATIVE INTERFACE RESIDUES: 53 PREDICTION INTERFACE RESIDUES: 72 of which native: 40 and non-native: 32 p(IR) = 0.7547 p(OP) = 0.4444 RECEPTOR TARGET NATIVE INTERFACE RESIDUES: 114 PREDICTION INTERFACE RESIDUES: 113 of which native: 89 and non-native: 24 p(IR) = 0.7807 p(OP) = 0.2124 -------------------------------------------------------------------------------- CALCULATION of INTERFACE SOLVENT ACCESSIBLE SURFACE AREA -------------------------------------------------------------------------------- LIGAND ASA: 5874.00 RECEPTOR ASA: 58611.00 COMPLEX ASA: 62128.20 IA = 2356.80 A2 -------------------------------------------------------------------------------- A S A - B A S E D I N T E R F A C E R E S I D U E S -------------------------------------------------------------------------------- TARGET ASP 10A ASP 11A TRP 13A VAL 14A GLY 15A GLU 16A MET 44A HIS 47A GLN 48A GLU 49A ILE 50A GLU 54A TYR 57A GLU 58A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A ASN 80A PRO 81A ASP 82A ASP 83A LYS 109A ALA 111A ALA 112A ARG 6M PRO 50M TYR 51M LYS 52M ILE 61M LYS 65M PHE 194M THR 198M ASN 202M MET 203M LEU 206M ALA 209M SER 225M GLN 228M THR 229M GLU 231M SER 232M ALA 235M GLN 236M GLY 238M GLY 239M PRO 240M GLU 296M TRP 297M GLN 301M ARG 304M SER 305M ASP 308M LEU 309M ARG 78P LYS 7Q ARG 19Q LYS 20Q LYS 21Q DDWVGEMHQEIEYERAHLWTNPDDKAARPYKIKFTNMLASQTESAQGGPEWQRSDLRKRKK PREDICTION PHE 3G GLU 34G GLU 35G HIS 36G GLY 37G VAL 38G LYS 39G HIS 47G GLN 48G SER 56G TYR 57G GLU 58G GLY 59G GLY 60G VAL 61G THR 63G ARG 65G ALA 66G HIS 67G LEU 68G TRP 69G THR 70G ASN 72G ASP 73G GLY 74G THR 75G ILE 79G ASN 80G PRO 81G ASP 82G ASP 83G GLU 88G PRO 90G VAL 91G GLU 92G VAL 93G LYS 94G GLY 95G ARG 6A PRO 50A TYR 51A LYS 52A ILE 61A LYS 65A THR 198A ASN 202A MET 203A LEU 206A ALA 210A GLN 228A THR 229A GLU 231A SER 232A SER 287A GLN 288A GLU 296A TRP 297A GLN 301A ARG 304A SER 305A ASP 308A GLU 77D ARG 78D LYS 80D LYS 150D LYS 151D LYS 7E ARG 10E LYS 20E LYS 21E FEEHGVKHQSYEGGVTRAHLWTNDGTINPDDEPVEVKGRPYKIKTNMLAQTESSQEWQRSDERKKKKRKK TARGET residue composition PRO 3 GLY 3 ALA 5 VAL 1 LEU 3 ILE 2 MET 2 PHE 1 TYR 2 TRP 3 HIS 2 CYS 0 SER 3 THR 3 ASN 2 GLN 4 ASP 5 GLU 6 LYS 6 ARG 5 UNK 0 non-polar 23 (37.7%) polar 14 (23.0%) charged 24 (39.3%) unknown 0 ( 0.0%) PREDICTION residue composition PRO 3 GLY 5 ALA 2 VAL 4 LEU 2 ILE 2 MET 1 PHE 1 TYR 2 TRP 2 HIS 3 CYS 0 SER 4 THR 5 ASN 3 GLN 4 ASP 4 GLU 8 LYS 10 ARG 5 UNK 0 non-polar 22 (31.4%) polar 18 (25.7%) charged 30 (42.9%) unknown 0 ( 0.0%) TARGET LIGAND NATIVE INTERFACE RESIDUES: 27 PREDICTION LIGAND INTERFACE RESIDUES: 38 of which native: 14 and non-native: 24 f(IR)_L = 0.5185 f(OP)_L = 0.6316 TARGET RECEPTOR NATIVE INTERFACE RESIDUES: 34 PREDICTION RECEPTOR INTERFACE RESIDUES: 32 of which native: 24 and non-native: 8 f(IR)_R = 0.7059 f(OP)_R = 0.2500 -------------------------------------------------------------------------------- FILTERING GROUPS for CONSERVATION throughout PREDICTIONS -------------------------------------------------------------------------------- After filtering for conservation among predictions Groups summary for TARGET: MODEL contains 15062 atoms CALPHA contains 1855 atoms BACKBONE contains 7420 atoms LIGAND contains 762 atoms RECEPTOR contains 13837 atoms INTERFACE contains 1279 atoms INTERFACE LIGAND contains 377 atoms INTERFACE RECEPTOR contains 902 atoms TARGET INTERFACE RECEPTOR residues are PRO 5M ARG 6M TYR 10M GLU 11M ARG 14M TYR 47M ASP 48M GLU 49M PRO 50M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ASP 230M GLU 231M SER 232M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q ALA 16Q GLU 17Q MET 18Q ARG 19Q LYS 20Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q PRYERYDEPYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTDESRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLAEMRKKPSEYDIQRT TARGET INTERFACE LIGAND residues are SER 8A LEU 9A ASP 10A ASP 11A ILE 12A TRP 13A VAL 14A GLY 15A GLU 16A MET 17A GLU 18A GLU 27A ASN 32A SER 33A GLU 34A MET 44A CYS 45A PRO 46A HIS 47A GLN 48A GLU 49A ILE 50A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A GLY 78A ILE 79A ASN 80A PRO 81A ASP 82A ASP 83A ALA 84A SLDDIWVGEMEENSEMCPHQEILLSEGSYEGVITCRAHLWTFGINPDDA -------------------------------------------------------------------------------- FILTERING NON-INTERFACE GROUPS for CONFORMATIONAL CHANGE INVARIANT residues -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- P R O J E C T I O N S -------------------------------------------------------------------------------- 1279 atoms in TARGET INTERFACE 1279 atoms in PREDICTION INTERFACE (projected) 902 atoms in TARGET INTERFACE RECEPTOR 902 atoms in PREDICTION INTERFACE RECEPTOR (projected) 573 atoms in TARGET LIGAND 573 atoms in PREDICTION LIGAND (projected) 12290 atoms in TARGET RECEPTOR 12290 atoms in PREDICTION RECEPTOR (projected) -------------------------------------------------------------------------------- I N T E R F A C E R E C E P T O R O V E R L A P -------------------------------------------------------------------------------- PREDICTION INTERFACE RECEPTOR: 87 residues out of a possible 112 overlap with TARGET ARG 6A TYR 10A ASP 48A GLU 49A PRO 50A TYR 51A LYS 52A THR 53A SER 54A GLU 57A TYR 58A SER 60A GLN 62A GLU 64A LYS 65A ASP 133A ARG 136A HIS 137A THR 193A PHE 194A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 213A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ASP 230A GLU 231A SER 232A ARG 233A HIS 234A ALA 235A GLN 236A GLY 239A GLN 243A GLN 288A PHE 293A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ASP 308A LEU 309A ALA 74D GLU 77D ARG 78D PHE 143D HIS 146D LYS 150D LYS 7E PRO 8E MET 9E ARG 10E THR 11E LEU 15E ALA 16E GLU 17E MET 18E ARG 19E LYS 20E LYS 21E PRO 22E RYDEPYKTSEYSQEKDRHTFFETGFTNMQFLGLAADAISSIQTDESRHAQGQQFYEWIIGQFERSLDLAERFHKKPMRTLAEMRKKP -------------------------------------------------------------------------------- C A L C U L A T I O N o f L I G A N D M O L E C U L A R R M S D -------------------------------------------------------------------------------- LIGAND RMSD calculated over 76 common out of 111 LIGAND residues M_RMSD(L) = 0.4099 -------------------------------------------------------------------------------- C A L C U L A T I O N o f R E C E P T O R M O L E C U L A R R M S D -------------------------------------------------------------------------------- RECEPTOR RMSD calculated over 1489 common out of 1744 RECEPTOR residues M_RMSD(R) = 0.8441 -------------------------------------------------------------------------------- FILTERING GROUPS for CONFORMATIONAL CHANGE INVARIANT residues -------------------------------------------------------------------------------- After filtering for conformational change invariant residues Groups summary for TARGET: MODEL contains 15062 atoms CALPHA contains 1855 atoms BACKBONE contains 7420 atoms LIGAND contains 573 atoms RECEPTOR contains 6281 atoms INTERFACE contains 667 atoms INTERFACE LIGAND contains 254 atoms INTERFACE RECEPTOR contains 413 atoms TARGET INTERFACE LIGAND residues are SER 8A GLY 15A GLU 16A MET 17A GLU 18A GLU 27A ASN 32A SER 33A GLU 34A MET 44A CYS 45A PRO 46A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A ALA 84A SGEMEENSEMCPLLSEGSYEGVITCRAHLWTFA TARGET INTERFACE RECEPTOR residues are PRO 5M ARG 6M TYR 10M GLU 11M ARG 14M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q PRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT -------------------------------------------------------------------------------- P R O J E C T I O N S -------------------------------------------------------------------------------- 1067 atoms in TARGET INTERFACE 1067 atoms in PREDICTION INTERFACE (projected) 813 atoms in TARGET INTERFACE RECEPTOR 813 atoms in PREDICTION INTERFACE RECEPTOR (projected) 573 atoms in TARGET LIGAND 573 atoms in PREDICTION LIGAND (projected) 12290 atoms in TARGET RECEPTOR 12290 atoms in PREDICTION RECEPTOR (projected) -------------------------------------------------------------------------------- R M S F I T o f R E C E P T O R I N T E R F A C E -------------------------------------------------------------------------------- Fitting PREDICTION INTERFACE RECEPTOR onto TARGET through 100 matching residues out of a possible 114 with RMSD of 0.7063 The matching residues are: TARGET PRO 5M ARG 6M TYR 10M GLU 11M ARG 14M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q PRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT PREDICTION PRO 5A ARG 6A TYR 10A GLU 11A ARG 14A TYR 51A LYS 52A THR 53A SER 54A GLU 57A TYR 58A SER 60A GLN 62A GLU 64A LYS 65A MET 126A ASP 133A ARG 136A HIS 137A ALA 189A ILE 190A LEU 192A THR 193A PHE 194A SER 195A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 213A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A GLY 239A PRO 240A ALA 241A LEU 242A GLN 243A GLN 288A PHE 293A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ASP 308A LEU 309A ALA 74D GLU 77D ARG 78D PHE 143D HIS 146D LYS 150D LYS 7E PRO 8E MET 9E ARG 10E THR 11E LEU 15E LYS 21E PRO 22E SER 23E GLU 24E TYR 25E ASP 26E ILE 27E GLN 77E ARG 81E THR 82E PRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT Fitting PREDICTION INVARIANT RECEPTOR onto TARGET with RMSD of 0.8441 The matching residues are: TARGET PRO 5M ARG 6M ASP 8M TRP 9M TYR 10M GLU 11M LEU 12M THR 13M ARG 14M ALA 15M THR 16M ASN 17M TRP 18M THR 19M PRO 20M TYR 22M VAL 23M THR 24M GLU 25M GLU 26M GLN 27M LEU 28M PHE 29M PRO 30M GLU 31M ARG 32M MET 33M SER 34M GLY 35M HIS 36M MET 37M ILE 39M PRO 40M LEU 41M GLU 42M LYS 43M TRP 44M GLU 45M TYR 51M LYS 52M THR 53M SER 54M TYR 55M PRO 56M GLU 57M TYR 58M VAL 59M SER 60M GLN 62M ARG 63M GLU 64M LYS 65M ASP 66M ALA 67M GLY 68M ALA 69M TYR 70M SER 71M VAL 72M LYS 73M ALA 74M ALA 75M LEU 76M GLU 77M ARG 78M ALA 79M LYS 80M ILE 81M TYR 82M GLU 83M ASN 84M SER 85M ASP 86M PRO 87M GLY 88M TRP 89M ILE 90M SER 91M THR 92M LEU 93M LYS 94M SER 95M HIS 96M TYR 97M GLY 98M ALA 99M ILE 100M ALA 101M VAL 102M GLY 103M GLU 104M TYR 105M ALA 106M ALA 107M VAL 108M THR 109M GLY 110M GLU 111M GLY 112M ARG 113M MET 114M ALA 115M ARG 116M PHE 117M SER 118M LYS 119M ALA 120M PRO 121M GLY 122M ASN 123M ARG 124M ASN 125M MET 126M ALA 127M THR 128M PHE 129M GLY 130M MET 131M MET 132M ASP 133M GLU 134M LEU 135M ARG 136M HIS 137M GLY 138M GLN 139M LEU 140M GLN 141M LEU 142M PHE 143M PHE 144M PRO 145M HIS 146M GLU 147M TYR 148M CYS 149M LYS 150M LYS 151M ASP 152M ARG 153M GLN 154M PHE 155M ASP 156M TRP 157M ALA 158M TRP 159M ARG 160M ALA 161M TYR 162M HIS 163M SER 164M ASN 165M GLU 166M TRP 167M ALA 168M ALA 169M ILE 170M ALA 171M ALA 172M LYS 173M HIS 174M PHE 175M PHE 176M ASP 177M ASP 178M ILE 179M ILE 180M THR 181M GLY 182M ARG 183M ASP 184M ALA 185M ILE 186M SER 187M VAL 188M ALA 189M ILE 190M MET 191M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 212M ALA 213M GLU 214M ALA 215M GLY 216M ASP 217M TYR 218M THR 219M PHE 220M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M LEU 244M LEU 245M ILE 246M GLU 247M ASN 248M GLY 249M LYS 250M ARG 251M GLU 252M GLU 253M ALA 254M GLN 255M LYS 256M LYS 257M VAL 258M ASP 259M MET 260M ALA 261M ILE 262M TRP 263M ARG 264M ALA 265M TRP 266M ARG 267M LEU 268M PHE 269M ALA 270M VAL 271M LEU 272M THR 273M GLY 274M PRO 275M VAL 276M MET 277M ASP 278M TYR 279M TYR 280M THR 281M PRO 282M LEU 283M GLU 284M ASP 285M ARG 286M SER 287M GLN 288M SER 289M PHE 290M LYS 291M GLU 292M PHE 293M MET 294M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ILE 307M ASP 308M LEU 309M GLY 310M LEU 311M ASP 312M LYS 313M PRO 314M TRP 315M TYR 316M TRP 317M ASP 318M LEU 319M PHE 320M LEU 321M LYS 322M ASP 323M ILE 324M ASP 325M GLU 326M LEU 327M HIS 328M HIS 329M SER 330M TYR 331M HIS 332M MET 333M GLY 334M VAL 335M TRP 336M TYR 337M TRP 338M ARG 339M THR 340M THR 341M ALA 342M TRP 343M TRP 344M ASN 345M PRO 346M ALA 347M ALA 348M GLY 349M VAL 350M THR 351M PRO 352M GLU 353M GLU 354M ARG 355M ASP 356M TRP 357M LEU 358M GLU 359M GLU 360M LYS 361M TYR 362M PRO 363M GLY 364M TRP 365M ASN 366M LYS 367M ARG 368M TRP 369M GLY 370M ARG 371M CYS 372M TRP 373M ASP 374M VAL 375M ILE 376M THR 377M GLU 378M ASN 379M VAL 380M LEU 381M ASN 382M ASP 383M TRP 412M ASN 413M ILE 414M GLU 415M VAL 416M PHE 417M SER 418M LEU 419M GLU 420M HIS 421M ASN 422M ARG 424M LEU 425M TYR 426M HIS 427M PHE 428M GLY 429M SER 430M GLU 431M VAL 432M ASP 433M ARG 434M TRP 435M VAL 436M PHE 437M GLN 438M GLN 439M ASP 440M PRO 441M VAL 442M GLN 443M TYR 444M GLN 445M ASN 446M HIS 447M MET 448M ASN 449M ILE 450M VAL 451M ASP 452M ARG 453M PHE 454M LEU 455M ALA 456M GLY 457M GLU 465M GLY 466M ALA 467M LEU 468M TYR 470M MET 471M GLY 472M PHE 473M GLN 474M SER 475M ILE 476M GLU 477M GLU 478M MET 479M GLY 480M LYS 481M ASP 482M ALA 483M HIS 484M ASP 485M PHE 486M ALA 487M TRP 488M ALA 489M ASP 490M PRO 5P ARG 6P ASP 8P TRP 9P TYR 10P GLU 11P LEU 12P THR 13P ARG 14P ALA 15P THR 16P ASN 17P TRP 18P THR 19P PRO 20P TYR 22P VAL 23P THR 24P GLU 25P GLU 26P GLN 27P LEU 28P PHE 29P PRO 30P GLU 31P ARG 32P MET 33P SER 34P GLY 35P HIS 36P MET 37P ILE 39P PRO 40P LEU 41P GLU 42P LYS 43P TRP 44P GLU 45P TYR 51P LYS 52P THR 53P SER 54P TYR 55P PRO 56P GLU 57P TYR 58P VAL 59P SER 60P GLN 62P ARG 63P GLU 64P LYS 65P ASP 66P ALA 67P GLY 68P ALA 69P TYR 70P SER 71P VAL 72P LYS 73P ALA 74P ALA 75P LEU 76P GLU 77P ARG 78P ALA 79P LYS 80P ILE 81P TYR 82P GLU 83P ASN 84P SER 85P ASP 86P PRO 87P GLY 88P TRP 89P ILE 90P SER 91P THR 92P LEU 93P LYS 94P SER 95P HIS 96P TYR 97P GLY 98P ALA 99P ILE 100P ALA 101P VAL 102P GLY 103P GLU 104P TYR 105P ALA 106P ALA 107P VAL 108P THR 109P GLY 110P GLU 111P GLY 112P ARG 113P MET 114P ALA 115P ARG 116P PHE 117P SER 118P LYS 119P ALA 120P PRO 121P GLY 122P ASN 123P ARG 124P ASN 125P MET 126P ALA 127P THR 128P PHE 129P GLY 130P MET 131P MET 132P ASP 133P GLU 134P LEU 135P ARG 136P HIS 137P GLY 138P GLN 139P LEU 140P GLN 141P LEU 142P PHE 143P PHE 144P PRO 145P HIS 146P GLU 147P TYR 148P CYS 149P LYS 150P LYS 151P ASP 152P ARG 153P GLN 154P PHE 155P ASP 156P TRP 157P ALA 158P TRP 159P ARG 160P ALA 161P TYR 162P HIS 163P SER 164P ASN 165P GLU 166P TRP 167P ALA 168P ALA 169P ILE 170P ALA 171P ALA 172P LYS 173P HIS 174P PHE 175P PHE 176P ASP 177P ASP 178P ILE 179P ILE 180P THR 181P GLY 182P ARG 183P ASP 184P ALA 185P ILE 186P SER 187P VAL 188P ALA 189P ILE 190P MET 191P LEU 192P THR 193P PHE 194P SER 195P PHE 196P GLU 197P THR 198P GLY 199P PHE 200P THR 201P ASN 202P MET 203P GLN 204P PHE 205P LEU 206P GLY 207P LEU 208P ALA 209P ALA 210P ASP 211P ALA 212P ALA 213P GLU 214P ALA 215P GLY 216P ASP 217P TYR 218P THR 219P PHE 220P ALA 221P ASN 222P LEU 223P ILE 224P SER 225P SER 226P ILE 227P GLN 228P THR 229P ALA 235P GLN 236P GLN 237P GLY 238P GLY 239P PRO 240P ALA 241P LEU 242P GLN 243P LEU 244P LEU 245P ILE 246P GLU 247P ASN 248P GLY 249P LYS 250P ARG 251P GLU 252P GLU 253P ALA 254P GLN 255P LYS 256P LYS 257P VAL 258P ASP 259P MET 260P ALA 261P ILE 262P TRP 263P ARG 264P ALA 265P TRP 266P ARG 267P LEU 268P PHE 269P ALA 270P VAL 271P LEU 272P THR 273P GLY 274P PRO 275P VAL 276P MET 277P ASP 278P TYR 279P TYR 280P THR 281P PRO 282P LEU 283P GLU 284P ASP 285P ARG 286P SER 287P GLN 288P SER 289P PHE 290P LYS 291P GLU 292P PHE 293P MET 294P TYR 295P GLU 296P TRP 297P ILE 298P ILE 299P GLY 300P GLN 301P PHE 302P GLU 303P ARG 304P SER 305P LEU 306P ILE 307P ASP 308P LEU 309P GLY 310P LEU 311P ASP 312P LYS 313P PRO 314P TRP 315P TYR 316P TRP 317P ASP 318P LEU 319P PHE 320P LEU 321P LYS 322P ASP 323P ILE 324P ASP 325P GLU 326P LEU 327P HIS 328P HIS 329P SER 330P TYR 331P HIS 332P MET 333P GLY 334P VAL 335P TRP 336P TYR 337P TRP 338P ARG 339P THR 340P THR 341P ALA 342P TRP 343P TRP 344P ASN 345P PRO 346P ALA 347P ALA 348P GLY 349P VAL 350P THR 351P PRO 352P GLU 353P GLU 354P ARG 355P ASP 356P TRP 357P LEU 358P GLU 359P GLU 360P LYS 361P TYR 362P PRO 363P GLY 364P TRP 365P ASN 366P LYS 367P ARG 368P TRP 369P GLY 370P ARG 371P CYS 372P TRP 373P ASP 374P VAL 375P ILE 376P THR 377P GLU 378P ASN 379P VAL 380P LEU 381P ASN 382P ASP 383P ASN 413P ILE 414P GLU 415P VAL 416P PHE 417P SER 418P LEU 419P GLU 420P HIS 421P ASN 422P ARG 424P LEU 425P TYR 426P HIS 427P PHE 428P GLY 429P SER 430P GLU 431P VAL 432P ASP 433P ARG 434P TRP 435P VAL 436P PHE 437P GLN 438P GLN 439P ASP 440P PRO 441P VAL 442P GLN 443P TYR 444P GLN 445P ASN 446P HIS 447P MET 448P ASN 449P ILE 450P VAL 451P ASP 452P ARG 453P PHE 454P LEU 455P ALA 456P GLY 457P SER 5N LYS 6N LYS 7N PRO 8N MET 9N ARG 10N THR 11N TRP 12N SER 13N HIS 14N LEU 15N LYS 21N PRO 22N SER 23N GLU 24N TYR 25N ASP 26N ILE 27N VAL 28N SER 29N ARG 30N LYS 31N LEU 32N TYR 34N SER 35N THR 36N ASN 37N ASN 38N PRO 39N ASP 40N SER 41N PRO 42N TRP 43N GLU 44N LEU 45N SER 46N PRO 47N ASP 48N SER 49N PRO 50N MET 51N ASN 52N LEU 53N TRP 54N TYR 55N LYS 56N GLN 57N TYR 58N ARG 59N ASN 60N ALA 61N SER 62N PRO 63N LEU 64N ASP 67N ASN 68N TRP 69N ASP 70N ALA 71N PHE 72N THR 73N ASP 74N PRO 75N ASP 76N GLN 77N LEU 78N VAL 79N TYR 80N ARG 81N THR 82N TYR 83N ASN 84N LEU 85N MET 86N GLN 87N ASP 88N GLY 89N GLN 90N GLU 91N SER 92N TYR 93N VAL 94N GLN 95N SER 96N LEU 97N PHE 98N ASP 99N GLN 100N PHE 101N ASN 102N GLU 103N ARG 104N GLU 105N HIS 106N GLU 112N GLY 113N TRP 114N GLU 115N HIS 116N THR 117N MET 118N ALA 119N ARG 120N CYS 121N TYR 122N SER 123N PRO 124N LEU 125N ARG 126N TYR 127N LEU 128N PHE 129N HIS 130N CYS 131N LEU 132N GLN 133N MET 134N SER 135N SER 136N ALA 137N TYR 138N VAL 139N GLN 140N GLN 141N MET 142N ALA 143N PRO 144N ALA 145N SER 146N THR 147N ILE 148N SER 149N ASN 150N CYS 151N CYS 152N ILE 153N LEU 154N GLN 155N THR 156N ALA 157N ASP 158N SER 159N LEU 160N ARG 161N TRP 162N LEU 163N THR 164N HIS 165N THR 166N ALA 167N TYR 168N ARG 169N THR 170N HIS 171N GLU 172N LEU 173N ASP 179N ALA 180N GLY 181N LEU 182N GLY 183N GLU 184N HIS 185N GLU 186N ARG 187N GLU 188N LEU 189N TRP 190N TRP 196N GLN 197N GLY 198N LEU 199N ARG 200N GLU 201N LEU 202N MET 203N GLU 204N LYS 205N GLN 206N LEU 207N THR 208N ALA 209N PHE 210N ASP 211N TRP 212N GLY 213N GLU 214N ALA 215N PHE 216N VAL 217N SER 218N LEU 219N ASN 220N LEU 221N VAL 222N VAL 223N LYS 224N PRO 225N MET 226N ILE 227N VAL 228N GLU 229N SER 230N ILE 231N PHE 232N LYS 233N PRO 234N LEU 235N GLN 236N GLN 237N GLN 238N ALA 239N TRP 240N GLU 241N ASN 242N ASN 243N ASP 244N THR 245N LEU 246N LEU 247N PRO 248N LEU 249N LEU 250N ILE 251N ASP 252N SER 253N GLN 254N LEU 255N LYS 256N ASP 257N ALA 258N GLU 259N ARG 260N HIS 261N SER 262N ARG 263N TRP 264N SER 265N LYS 266N ALA 267N LEU 268N VAL 269N LYS 270N HIS 271N ALA 272N LEU 273N GLU 274N ASN 275N PRO 276N ASP 277N ASN 278N HIS 279N ALA 280N VAL 281N ILE 282N GLU 283N GLY 284N TRP 285N ILE 286N GLU 287N LYS 288N TRP 289N ARG 290N PRO 291N LEU 292N ALA 293N ASP 294N ARG 295N ALA 296N ALA 297N GLU 298N ALA 299N TYR 300N LEU 301N SER 302N SER 5Q LYS 6Q LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q TRP 12Q SER 13Q HIS 14Q LEU 15Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q VAL 28Q SER 29Q ARG 30Q LYS 31Q LEU 32Q HIS 33Q TYR 34Q SER 35Q THR 36Q ASN 37Q ASN 38Q PRO 39Q ASP 40Q SER 41Q PRO 42Q TRP 43Q GLU 44Q LEU 45Q SER 46Q PRO 47Q ASP 48Q SER 49Q PRO 50Q MET 51Q ASN 52Q LEU 53Q TRP 54Q TYR 55Q LYS 56Q GLN 57Q TYR 58Q ARG 59Q ASN 60Q ALA 61Q SER 62Q PRO 63Q LEU 64Q ASP 67Q ASN 68Q TRP 69Q ASP 70Q ALA 71Q PHE 72Q THR 73Q ASP 74Q PRO 75Q ASP 76Q GLN 77Q LEU 78Q VAL 79Q TYR 80Q ARG 81Q THR 82Q TYR 83Q ASN 84Q LEU 85Q MET 86Q GLN 87Q ASP 88Q GLY 89Q GLN 90Q GLU 91Q SER 92Q TYR 93Q VAL 94Q GLN 95Q SER 96Q LEU 97Q PHE 98Q ASP 99Q GLN 100Q PHE 101Q ASN 102Q GLU 103Q ARG 104Q GLU 105Q HIS 106Q ASP 107Q GLU 112Q GLY 113Q TRP 114Q GLU 115Q HIS 116Q THR 117Q MET 118Q ALA 119Q ARG 120Q CYS 121Q TYR 122Q SER 123Q PRO 124Q LEU 125Q ARG 126Q TYR 127Q LEU 128Q PHE 129Q HIS 130Q CYS 131Q LEU 132Q GLN 133Q MET 134Q SER 135Q SER 136Q ALA 137Q TYR 138Q VAL 139Q GLN 140Q GLN 141Q MET 142Q ALA 143Q PRO 144Q ALA 145Q SER 146Q THR 147Q ILE 148Q SER 149Q ASN 150Q CYS 151Q CYS 152Q ILE 153Q LEU 154Q GLN 155Q THR 156Q ALA 157Q ASP 158Q SER 159Q LEU 160Q ARG 161Q TRP 162Q LEU 163Q THR 164Q HIS 165Q THR 166Q ALA 167Q TYR 168Q ARG 169Q THR 170Q HIS 171Q GLU 172Q LEU 173Q ASP 179Q ALA 180Q GLY 181Q LEU 182Q GLY 183Q GLU 184Q HIS 185Q GLU 186Q ARG 187Q GLU 188Q LEU 189Q TRP 190Q TRP 196Q GLN 197Q GLY 198Q LEU 199Q ARG 200Q GLU 201Q LEU 202Q MET 203Q GLU 204Q LYS 205Q GLN 206Q LEU 207Q THR 208Q ALA 209Q PHE 210Q ASP 211Q TRP 212Q GLY 213Q GLU 214Q ALA 215Q PHE 216Q VAL 217Q SER 218Q LEU 219Q ASN 220Q LEU 221Q VAL 222Q VAL 223Q LYS 224Q PRO 225Q MET 226Q ILE 227Q VAL 228Q GLU 229Q SER 230Q ILE 231Q PHE 232Q LYS 233Q PRO 234Q LEU 235Q GLN 236Q GLN 237Q GLN 238Q ALA 239Q TRP 240Q GLU 241Q ASN 242Q ASN 243Q ASP 244Q THR 245Q LEU 246Q LEU 247Q PRO 248Q LEU 249Q LEU 250Q ILE 251Q ASP 252Q SER 253Q GLN 254Q LEU 255Q LYS 256Q ASP 257Q ALA 258Q GLU 259Q ARG 260Q HIS 261Q SER 262Q ARG 263Q TRP 264Q SER 265Q LYS 266Q ALA 267Q LEU 268Q VAL 269Q LYS 270Q HIS 271Q ALA 272Q LEU 273Q GLU 274Q ASN 275Q PRO 276Q ASP 277Q ASN 278Q HIS 279Q ALA 280Q VAL 281Q ILE 282Q GLU 283Q GLY 284Q TRP 285Q ILE 286Q GLU 287Q LYS 288Q TRP 289Q ARG 290Q PRO 291Q LEU 292Q ALA 293Q ASP 294Q ARG 295Q ALA 296Q ALA 297Q GLU 298Q ALA 299Q TYR 300Q LEU 301Q SER 302Q HIS 7O ALA 8O ALA 9O PHE 10O GLU 11O LYS 12O ASP 13O PHE 14O LEU 15O VAL 16O GLN 17O LEU 18O VAL 19O VAL 20O VAL 21O ASP 22O LEU 23O GLN 29O VAL 30O ALA 31O GLU 32O LYS 33O VAL 34O ALA 35O TYR 36O HIS 37O CYS 38O VAL 39O ASN 40O ARG 41O ARG 42O VAL 43O ALA 44O PRO 45O ARG 46O GLU 47O VAL 52O ARG 53O LYS 54O HIS 55O ARG 56O SER 57O VAL 77O ILE 78O ASP 79O VAL 80O VAL 81O PHE 82O HIS 7R ALA 8R ALA 9R PHE 10R GLU 11R LYS 12R ASP 13R PHE 14R LEU 15R VAL 16R GLN 17R LEU 18R VAL 19R VAL 20R VAL 21R ASP 22R LEU 23R ASP 28R GLN 29R VAL 30R ALA 31R GLU 32R LYS 33R VAL 34R ALA 35R TYR 36R HIS 37R CYS 38R VAL 39R ASN 40R ARG 41R ARG 42R VAL 43R ALA 44R PRO 45R ARG 46R GLU 47R VAL 52R ARG 53R LYS 54R HIS 55R ARG 56R SER 57R PRDWYELTRATNWTPYVTEEQLFPERMSGHMIPLEKWEYKTSYPEYVSQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDWNIEVFSLEHNRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGEGALYMGFQSIEEMGKDAHDFAWADPRDWYELTRATNWTPYVTEEQLFPERMSGHMIPLEKWEYKTSYPEYVSQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDNIEVFSLEHNRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGSKKPMRTWSHLKPSEYDIVSRKLYSTNNPDSPWELSPDSPMNLWYKQYRNASPLDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHEGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELDAGLGEHERELWWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSSKKPMRTWSHLKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDEGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELDAGLGEHERELWWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSHAAFEKDFLVQLVVVDLQVAEKVAYHCVNRRVAPREVRKHRSVIDVVFHAAFEKDFLVQLVVVDLDQVAEKVAYHCVNRRVAPREVRKHRS PREDICTION PRO 5A ARG 6A ASP 8A TRP 9A TYR 10A GLU 11A LEU 12A THR 13A ARG 14A ALA 15A THR 16A ASN 17A TRP 18A THR 19A PRO 20A TYR 22A VAL 23A THR 24A GLU 25A GLU 26A GLN 27A LEU 28A PHE 29A PRO 30A GLU 31A ARG 32A MET 33A SER 34A GLY 35A HIS 36A MET 37A ILE 39A PRO 40A LEU 41A GLU 42A LYS 43A TRP 44A GLU 45A TYR 51A LYS 52A THR 53A SER 54A TYR 55A PRO 56A GLU 57A TYR 58A VAL 59A SER 60A GLN 62A ARG 63A GLU 64A LYS 65A ASP 66A ALA 67A GLY 68A ALA 69A TYR 70A SER 71A VAL 72A LYS 73A ALA 74A ALA 75A LEU 76A GLU 77A ARG 78A ALA 79A LYS 80A ILE 81A TYR 82A GLU 83A ASN 84A SER 85A ASP 86A PRO 87A GLY 88A TRP 89A ILE 90A SER 91A THR 92A LEU 93A LYS 94A SER 95A HIS 96A TYR 97A GLY 98A ALA 99A ILE 100A ALA 101A VAL 102A GLY 103A GLU 104A TYR 105A ALA 106A ALA 107A VAL 108A THR 109A GLY 110A GLU 111A GLY 112A ARG 113A MET 114A ALA 115A ARG 116A PHE 117A SER 118A LYS 119A ALA 120A PRO 121A GLY 122A ASN 123A ARG 124A ASN 125A MET 126A ALA 127A THR 128A PHE 129A GLY 130A MET 131A MET 132A ASP 133A GLU 134A LEU 135A ARG 136A HIS 137A GLY 138A GLN 139A LEU 140A GLN 141A LEU 142A PHE 143A PHE 144A PRO 145A HIS 146A GLU 147A TYR 148A CYS 149A LYS 150A LYS 151A ASP 152A ARG 153A GLN 154A PHE 155A ASP 156A TRP 157A ALA 158A TRP 159A ARG 160A ALA 161A TYR 162A HIS 163A SER 164A ASN 165A GLU 166A TRP 167A ALA 168A ALA 169A ILE 170A ALA 171A ALA 172A LYS 173A HIS 174A PHE 175A PHE 176A ASP 177A ASP 178A ILE 179A ILE 180A THR 181A GLY 182A ARG 183A ASP 184A ALA 185A ILE 186A SER 187A VAL 188A ALA 189A ILE 190A MET 191A LEU 192A THR 193A PHE 194A SER 195A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 212A ALA 213A GLU 214A ALA 215A GLY 216A ASP 217A TYR 218A THR 219A PHE 220A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A GLY 239A PRO 240A ALA 241A LEU 242A GLN 243A LEU 244A LEU 245A ILE 246A GLU 247A ASN 248A GLY 249A LYS 250A ARG 251A GLU 252A GLU 253A ALA 254A GLN 255A LYS 256A LYS 257A VAL 258A ASP 259A MET 260A ALA 261A ILE 262A TRP 263A ARG 264A ALA 265A TRP 266A ARG 267A LEU 268A PHE 269A ALA 270A VAL 271A LEU 272A THR 273A GLY 274A PRO 275A VAL 276A MET 277A ASP 278A TYR 279A TYR 280A THR 281A PRO 282A LEU 283A GLU 284A ASP 285A ARG 286A SER 287A GLN 288A SER 289A PHE 290A LYS 291A GLU 292A PHE 293A MET 294A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ILE 307A ASP 308A LEU 309A GLY 310A LEU 311A ASP 312A LYS 313A PRO 314A TRP 315A TYR 316A TRP 317A ASP 318A LEU 319A PHE 320A LEU 321A LYS 322A ASP 323A ILE 324A ASP 325A GLU 326A LEU 327A HIS 328A HIS 329A SER 330A TYR 331A HIS 332A MET 333A GLY 334A VAL 335A TRP 336A TYR 337A TRP 338A ARG 339A THR 340A THR 341A ALA 342A TRP 343A TRP 344A ASN 345A PRO 346A ALA 347A ALA 348A GLY 349A VAL 350A THR 351A PRO 352A GLU 353A GLU 354A ARG 355A ASP 356A TRP 357A LEU 358A GLU 359A GLU 360A LYS 361A TYR 362A PRO 363A GLY 364A TRP 365A ASN 366A LYS 367A ARG 368A TRP 369A GLY 370A ARG 371A CYS 372A TRP 373A ASP 374A VAL 375A ILE 376A THR 377A GLU 378A ASN 379A VAL 380A LEU 381A ASN 382A ASP 383A TRP 412A ASN 413A ILE 414A GLU 415A VAL 416A PHE 417A SER 418A LEU 419A GLU 420A HIS 421A ASN 422A ARG 424A LEU 425A TYR 426A HIS 427A PHE 428A GLY 429A SER 430A GLU 431A VAL 432A ASP 433A ARG 434A TRP 435A VAL 436A PHE 437A GLN 438A GLN 439A ASP 440A PRO 441A VAL 442A GLN 443A TYR 444A GLN 445A ASN 446A HIS 447A MET 448A ASN 449A ILE 450A VAL 451A ASP 452A ARG 453A PHE 454A LEU 455A ALA 456A GLY 457A GLU 465A GLY 466A ALA 467A LEU 468A TYR 470A MET 471A GLY 472A PHE 473A GLN 474A SER 475A ILE 476A GLU 477A GLU 478A MET 479A GLY 480A LYS 481A ASP 482A ALA 483A HIS 484A ASP 485A PHE 486A ALA 487A TRP 488A ALA 489A ASP 490A PRO 5D ARG 6D ASP 8D TRP 9D TYR 10D GLU 11D LEU 12D THR 13D ARG 14D ALA 15D THR 16D ASN 17D TRP 18D THR 19D PRO 20D TYR 22D VAL 23D THR 24D GLU 25D GLU 26D GLN 27D LEU 28D PHE 29D PRO 30D GLU 31D ARG 32D MET 33D SER 34D GLY 35D HIS 36D MET 37D ILE 39D PRO 40D LEU 41D GLU 42D LYS 43D TRP 44D GLU 45D TYR 51D LYS 52D THR 53D SER 54D TYR 55D PRO 56D GLU 57D TYR 58D VAL 59D SER 60D GLN 62D ARG 63D GLU 64D LYS 65D ASP 66D ALA 67D GLY 68D ALA 69D TYR 70D SER 71D VAL 72D LYS 73D ALA 74D ALA 75D LEU 76D GLU 77D ARG 78D ALA 79D LYS 80D ILE 81D TYR 82D GLU 83D ASN 84D SER 85D ASP 86D PRO 87D GLY 88D TRP 89D ILE 90D SER 91D THR 92D LEU 93D LYS 94D SER 95D HIS 96D TYR 97D GLY 98D ALA 99D ILE 100D ALA 101D VAL 102D GLY 103D GLU 104D TYR 105D ALA 106D ALA 107D VAL 108D THR 109D GLY 110D GLU 111D GLY 112D ARG 113D MET 114D ALA 115D ARG 116D PHE 117D SER 118D LYS 119D ALA 120D PRO 121D GLY 122D ASN 123D ARG 124D ASN 125D MET 126D ALA 127D THR 128D PHE 129D GLY 130D MET 131D MET 132D ASP 133D GLU 134D LEU 135D ARG 136D HIS 137D GLY 138D GLN 139D LEU 140D GLN 141D LEU 142D PHE 143D PHE 144D PRO 145D HIS 146D GLU 147D TYR 148D CYS 149D LYS 150D LYS 151D ASP 152D ARG 153D GLN 154D PHE 155D ASP 156D TRP 157D ALA 158D TRP 159D ARG 160D ALA 161D TYR 162D HIS 163D SER 164D ASN 165D GLU 166D TRP 167D ALA 168D ALA 169D ILE 170D ALA 171D ALA 172D LYS 173D HIS 174D PHE 175D PHE 176D ASP 177D ASP 178D ILE 179D ILE 180D THR 181D GLY 182D ARG 183D ASP 184D ALA 185D ILE 186D SER 187D VAL 188D ALA 189D ILE 190D MET 191D LEU 192D THR 193D PHE 194D SER 195D PHE 196D GLU 197D THR 198D GLY 199D PHE 200D THR 201D ASN 202D MET 203D GLN 204D PHE 205D LEU 206D GLY 207D LEU 208D ALA 209D ALA 210D ASP 211D ALA 212D ALA 213D GLU 214D ALA 215D GLY 216D ASP 217D TYR 218D THR 219D PHE 220D ALA 221D ASN 222D LEU 223D ILE 224D SER 225D SER 226D ILE 227D GLN 228D THR 229D ALA 235D GLN 236D GLN 237D GLY 238D GLY 239D PRO 240D ALA 241D LEU 242D GLN 243D LEU 244D LEU 245D ILE 246D GLU 247D ASN 248D GLY 249D LYS 250D ARG 251D GLU 252D GLU 253D ALA 254D GLN 255D LYS 256D LYS 257D VAL 258D ASP 259D MET 260D ALA 261D ILE 262D TRP 263D ARG 264D ALA 265D TRP 266D ARG 267D LEU 268D PHE 269D ALA 270D VAL 271D LEU 272D THR 273D GLY 274D PRO 275D VAL 276D MET 277D ASP 278D TYR 279D TYR 280D THR 281D PRO 282D LEU 283D GLU 284D ASP 285D ARG 286D SER 287D GLN 288D SER 289D PHE 290D LYS 291D GLU 292D PHE 293D MET 294D TYR 295D GLU 296D TRP 297D ILE 298D ILE 299D GLY 300D GLN 301D PHE 302D GLU 303D ARG 304D SER 305D LEU 306D ILE 307D ASP 308D LEU 309D GLY 310D LEU 311D ASP 312D LYS 313D PRO 314D TRP 315D TYR 316D TRP 317D ASP 318D LEU 319D PHE 320D LEU 321D LYS 322D ASP 323D ILE 324D ASP 325D GLU 326D LEU 327D HIS 328D HIS 329D SER 330D TYR 331D HIS 332D MET 333D GLY 334D VAL 335D TRP 336D TYR 337D TRP 338D ARG 339D THR 340D THR 341D ALA 342D TRP 343D TRP 344D ASN 345D PRO 346D ALA 347D ALA 348D GLY 349D VAL 350D THR 351D PRO 352D GLU 353D GLU 354D ARG 355D ASP 356D TRP 357D LEU 358D GLU 359D GLU 360D LYS 361D TYR 362D PRO 363D GLY 364D TRP 365D ASN 366D LYS 367D ARG 368D TRP 369D GLY 370D ARG 371D CYS 372D TRP 373D ASP 374D VAL 375D ILE 376D THR 377D GLU 378D ASN 379D VAL 380D LEU 381D ASN 382D ASP 383D ASN 413D ILE 414D GLU 415D VAL 416D PHE 417D SER 418D LEU 419D GLU 420D HIS 421D ASN 422D ARG 424D LEU 425D TYR 426D HIS 427D PHE 428D GLY 429D SER 430D GLU 431D VAL 432D ASP 433D ARG 434D TRP 435D VAL 436D PHE 437D GLN 438D GLN 439D ASP 440D PRO 441D VAL 442D GLN 443D TYR 444D GLN 445D ASN 446D HIS 447D MET 448D ASN 449D ILE 450D VAL 451D ASP 452D ARG 453D PHE 454D LEU 455D ALA 456D GLY 457D SER 5B LYS 6B LYS 7B PRO 8B MET 9B ARG 10B THR 11B TRP 12B SER 13B HIS 14B LEU 15B LYS 21B PRO 22B SER 23B GLU 24B TYR 25B ASP 26B ILE 27B VAL 28B SER 29B ARG 30B LYS 31B LEU 32B TYR 34B SER 35B THR 36B ASN 37B ASN 38B PRO 39B ASP 40B SER 41B PRO 42B TRP 43B GLU 44B LEU 45B SER 46B PRO 47B ASP 48B SER 49B PRO 50B MET 51B ASN 52B LEU 53B TRP 54B TYR 55B LYS 56B GLN 57B TYR 58B ARG 59B ASN 60B ALA 61B SER 62B PRO 63B LEU 64B ASP 67B ASN 68B TRP 69B ASP 70B ALA 71B PHE 72B THR 73B ASP 74B PRO 75B ASP 76B GLN 77B LEU 78B VAL 79B TYR 80B ARG 81B THR 82B TYR 83B ASN 84B LEU 85B MET 86B GLN 87B ASP 88B GLY 89B GLN 90B GLU 91B SER 92B TYR 93B VAL 94B GLN 95B SER 96B LEU 97B PHE 98B ASP 99B GLN 100B PHE 101B ASN 102B GLU 103B ARG 104B GLU 105B HIS 106B GLU 112B GLY 113B TRP 114B GLU 115B HIS 116B THR 117B MET 118B ALA 119B ARG 120B CYS 121B TYR 122B SER 123B PRO 124B LEU 125B ARG 126B TYR 127B LEU 128B PHE 129B HIS 130B CYS 131B LEU 132B GLN 133B MET 134B SER 135B SER 136B ALA 137B TYR 138B VAL 139B GLN 140B GLN 141B MET 142B ALA 143B PRO 144B ALA 145B SER 146B THR 147B ILE 148B SER 149B ASN 150B CYS 151B CYS 152B ILE 153B LEU 154B GLN 155B THR 156B ALA 157B ASP 158B SER 159B LEU 160B ARG 161B TRP 162B LEU 163B THR 164B HIS 165B THR 166B ALA 167B TYR 168B ARG 169B THR 170B HIS 171B GLU 172B LEU 173B ASP 179B ALA 180B GLY 181B LEU 182B GLY 183B GLU 184B HIS 185B GLU 186B ARG 187B GLU 188B LEU 189B TRP 190B TRP 196B GLN 197B GLY 198B LEU 199B ARG 200B GLU 201B LEU 202B MET 203B GLU 204B LYS 205B GLN 206B LEU 207B THR 208B ALA 209B PHE 210B ASP 211B TRP 212B GLY 213B GLU 214B ALA 215B PHE 216B VAL 217B SER 218B LEU 219B ASN 220B LEU 221B VAL 222B VAL 223B LYS 224B PRO 225B MET 226B ILE 227B VAL 228B GLU 229B SER 230B ILE 231B PHE 232B LYS 233B PRO 234B LEU 235B GLN 236B GLN 237B GLN 238B ALA 239B TRP 240B GLU 241B ASN 242B ASN 243B ASP 244B THR 245B LEU 246B LEU 247B PRO 248B LEU 249B LEU 250B ILE 251B ASP 252B SER 253B GLN 254B LEU 255B LYS 256B ASP 257B ALA 258B GLU 259B ARG 260B HIS 261B SER 262B ARG 263B TRP 264B SER 265B LYS 266B ALA 267B LEU 268B VAL 269B LYS 270B HIS 271B ALA 272B LEU 273B GLU 274B ASN 275B PRO 276B ASP 277B ASN 278B HIS 279B ALA 280B VAL 281B ILE 282B GLU 283B GLY 284B TRP 285B ILE 286B GLU 287B LYS 288B TRP 289B ARG 290B PRO 291B LEU 292B ALA 293B ASP 294B ARG 295B ALA 296B ALA 297B GLU 298B ALA 299B TYR 300B LEU 301B SER 302B SER 5E LYS 6E LYS 7E PRO 8E MET 9E ARG 10E THR 11E TRP 12E SER 13E HIS 14E LEU 15E LYS 21E PRO 22E SER 23E GLU 24E TYR 25E ASP 26E ILE 27E VAL 28E SER 29E ARG 30E LYS 31E LEU 32E HIS 33E TYR 34E SER 35E THR 36E ASN 37E ASN 38E PRO 39E ASP 40E SER 41E PRO 42E TRP 43E GLU 44E LEU 45E SER 46E PRO 47E ASP 48E SER 49E PRO 50E MET 51E ASN 52E LEU 53E TRP 54E TYR 55E LYS 56E GLN 57E TYR 58E ARG 59E ASN 60E ALA 61E SER 62E PRO 63E LEU 64E ASP 67E ASN 68E TRP 69E ASP 70E ALA 71E PHE 72E THR 73E ASP 74E PRO 75E ASP 76E GLN 77E LEU 78E VAL 79E TYR 80E ARG 81E THR 82E TYR 83E ASN 84E LEU 85E MET 86E GLN 87E ASP 88E GLY 89E GLN 90E GLU 91E SER 92E TYR 93E VAL 94E GLN 95E SER 96E LEU 97E PHE 98E ASP 99E GLN 100E PHE 101E ASN 102E GLU 103E ARG 104E GLU 105E HIS 106E ASP 107E GLU 112E GLY 113E TRP 114E GLU 115E HIS 116E THR 117E MET 118E ALA 119E ARG 120E CYS 121E TYR 122E SER 123E PRO 124E LEU 125E ARG 126E TYR 127E LEU 128E PHE 129E HIS 130E CYS 131E LEU 132E GLN 133E MET 134E SER 135E SER 136E ALA 137E TYR 138E VAL 139E GLN 140E GLN 141E MET 142E ALA 143E PRO 144E ALA 145E SER 146E THR 147E ILE 148E SER 149E ASN 150E CYS 151E CYS 152E ILE 153E LEU 154E GLN 155E THR 156E ALA 157E ASP 158E SER 159E LEU 160E ARG 161E TRP 162E LEU 163E THR 164E HIS 165E THR 166E ALA 167E TYR 168E ARG 169E THR 170E HIS 171E GLU 172E LEU 173E ASP 179E ALA 180E GLY 181E LEU 182E GLY 183E GLU 184E HIS 185E GLU 186E ARG 187E GLU 188E LEU 189E TRP 190E TRP 196E GLN 197E GLY 198E LEU 199E ARG 200E GLU 201E LEU 202E MET 203E GLU 204E LYS 205E GLN 206E LEU 207E THR 208E ALA 209E PHE 210E ASP 211E TRP 212E GLY 213E GLU 214E ALA 215E PHE 216E VAL 217E SER 218E LEU 219E ASN 220E LEU 221E VAL 222E VAL 223E LYS 224E PRO 225E MET 226E ILE 227E VAL 228E GLU 229E SER 230E ILE 231E PHE 232E LYS 233E PRO 234E LEU 235E GLN 236E GLN 237E GLN 238E ALA 239E TRP 240E GLU 241E ASN 242E ASN 243E ASP 244E THR 245E LEU 246E LEU 247E PRO 248E LEU 249E LEU 250E ILE 251E ASP 252E SER 253E GLN 254E LEU 255E LYS 256E ASP 257E ALA 258E GLU 259E ARG 260E HIS 261E SER 262E ARG 263E TRP 264E SER 265E LYS 266E ALA 267E LEU 268E VAL 269E LYS 270E HIS 271E ALA 272E LEU 273E GLU 274E ASN 275E PRO 276E ASP 277E ASN 278E HIS 279E ALA 280E VAL 281E ILE 282E GLU 283E GLY 284E TRP 285E ILE 286E GLU 287E LYS 288E TRP 289E ARG 290E PRO 291E LEU 292E ALA 293E ASP 294E ARG 295E ALA 296E ALA 297E GLU 298E ALA 299E TYR 300E LEU 301E SER 302E HIS 7C ALA 8C ALA 9C PHE 10C GLU 11C LYS 12C ASP 13C PHE 14C LEU 15C VAL 16C GLN 17C LEU 18C VAL 19C VAL 20C VAL 21C ASP 22C LEU 23C GLN 29C VAL 30C ALA 31C GLU 32C LYS 33C VAL 34C ALA 35C TYR 36C HIS 37C CYS 38C VAL 39C ASN 40C ARG 41C ARG 42C VAL 43C ALA 44C PRO 45C ARG 46C GLU 47C VAL 52C ARG 53C LYS 54C HIS 55C ARG 56C SER 57C VAL 77C ILE 78C ASP 79C VAL 80C VAL 81C PHE 82C HIS 7F ALA 8F ALA 9F PHE 10F GLU 11F LYS 12F ASP 13F PHE 14F LEU 15F VAL 16F GLN 17F LEU 18F VAL 19F VAL 20F VAL 21F ASP 22F LEU 23F ASP 28F GLN 29F VAL 30F ALA 31F GLU 32F LYS 33F VAL 34F ALA 35F TYR 36F HIS 37F CYS 38F VAL 39F ASN 40F ARG 41F ARG 42F VAL 43F ALA 44F PRO 45F ARG 46F GLU 47F VAL 52F ARG 53F LYS 54F HIS 55F ARG 56F SER 57F PRDWYELTRATNWTPYVTEEQLFPERMSGHMIPLEKWEYKTSYPEYVSQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTRHAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDWNIEVFSLEHNRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGEGALYMGFQSIEEMGKDAHDFAWADPRDWYELTRATNWTPYVTEEQLFPERMSGHMIPLEKWEYKTSYPEYVSQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIAVGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKKDRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFTNMQFLGLAADAAEAGDYTFANLISSIQTAQQGGPALQLLIENGKREEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQFERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVTPEERDWLEEKYPGWNKRWGRCWDVITENVLNDNIEVFSLEHNRLYHFGSEVDRWVFQQDPVQYQNHMNIVDRFLAGSKKPMRTWSHLKPSEYDIVSRKLYSTNNPDSPWELSPDSPMNLWYKQYRNASPLDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHEGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELDAGLGEHERELWWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSSKKPMRTWSHLKPSEYDIVSRKLHYSTNNPDSPWELSPDSPMNLWYKQYRNASPLDNWDAFTDPDQLVYRTYNLMQDGQESYVQSLFDQFNEREHDEGWEHTMARCYSPLRYLFHCLQMSSAYVQQMAPASTISNCCILQTADSLRWLTHTAYRTHELDAGLGEHERELWWQGLRELMEKQLTAFDWGEAFVSLNLVVKPMIVESIFKPLQQQAWENNDTLLPLLIDSQLKDAERHSRWSKALVKHALENPDNHAVIEGWIEKWRPLADRAAEAYLSHAAFEKDFLVQLVVVDLQVAEKVAYHCVNRRVAPREVRKHRSVIDVVFHAAFEKDFLVQLVVVDLDQVAEKVAYHCVNRRVAPREVRKHRS -------------------------------------------------------------------------------- CALCULATION of LIGAND CENTER-OF-MASS DISTANCE -------------------------------------------------------------------------------- DISTANCE calculated over 76 target and 76 prediction residues TARGET LIGAND AVG COORDINATES: -2.5671 0.5484 28.5617 PREDICTION LIGAND AVG COORDINATES: -4.7066 3.7016 28.4592 DISTANCE = 3.8119 A -------------------------------------------------------------------------------- I N T E R F A C E L I G A N D O V E R L A P -------------------------------------------------------------------------------- PREDICTION INTERFACE LIGAND: 54 residues out of a possible 33 overlap with TARGET CYS 7G TRP 13G GLY 15G GLU 16G ASP 24G ILE 30G VAL 31G ASN 32G GLN 42G ALA 43G MET 44G GLU 49G ILE 50G LEU 51G LEU 52G SER 53G GLU 54G TYR 57G GLU 58G GLY 59G VAL 61G ILE 62G THR 63G CYS 64G ARG 65G ALA 66G HIS 67G TRP 69G ASP 82G CWGEDIVNQAMEILLSEYEGVITCRAHWD -------------------------------------------------------------------------------- C A L C U L A T I O N o f L I G A N D R M S D -------------------------------------------------------------------------------- LIGAND RMSD calculated over 76 common out of 111 LIGAND residues L_RMSD = 13.0019 -------------------------------------------------------------------------------- C A L C U L A T I O N o f T H E T A A N G L E -------------------------------------------------------------------------------- THETA(L) = 102.4959 -------------------------------------------------------------------------------- P R O J E C T I O N S -------------------------------------------------------------------------------- 1067 atoms in TARGET INTERFACE 1067 atoms in PREDICTION INTERFACE (projected) 813 atoms in TARGET INTERFACE RECEPTOR 813 atoms in PREDICTION INTERFACE RECEPTOR (projected) 573 atoms in TARGET LIGAND 573 atoms in PREDICTION LIGAND (projected) 12290 atoms in TARGET RECEPTOR 12290 atoms in PREDICTION RECEPTOR (projected) -------------------------------------------------------------------------------- I N T E R F A C E O V E R L A P -------------------------------------------------------------------------------- PREDICTION INTERFACE: 104 residues out of a possible 133 overlap with TARGET CYS 7G TRP 13G GLY 15G GLU 16G ASP 24G ILE 30G VAL 31G ASN 32G GLN 42G ALA 43G MET 44G GLU 49G ILE 50G LEU 51G LEU 52G SER 53G GLU 54G TYR 57G GLU 58G GLY 59G VAL 61G ILE 62G THR 63G CYS 64G ARG 65G ALA 66G HIS 67G TRP 69G ASP 82G MET 3A HIS 4A ASP 8A TRP 9A GLU 11A ASP 48A GLU 49A TYR 51A SER 54A TYR 55A GLU 57A VAL 59A GLN 62A ARG 63A ASN 123A GLY 130A ASP 133A GLU 134A ILE 186A ALA 189A ILE 190A MET 191A LEU 192A THR 193A PHE 194A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A GLN 204A PHE 205A LEU 206A GLY 207A ALA 209A TYR 218A THR 219A PHE 220A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ASP 230A GLU 231A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A PRO 240A ASP 285A PHE 290A GLU 292A MET 294A TYR 295A GLU 296A TRP 297A ILE 298A GLY 300A GLN 301A PHE 302A ARG 304A SER 305A ASP 67B TRP 69B ASP 70B LEU 128B LEU 132B ALA 137B PRO 403D LEU 404D VAL 405D GLY 406D VAL 407D TRP 412D VAL 416D PHE 417D SER 418D LEU 419D GLU 420D HIS 421D ASN 422D PHE 473D GLU 477D GLU 478D CWGEDIVNQAMEILLSEYEGVITCRAHWDMHDWEDEYSYEVQRNGDEIAIMLTFFETGFTNQFLGAYTFANLISSDERHAQQGPDFEMYEWIGQFRSDWDLLAPLVGVWVFSLEHNFEE -------------------------------------------------------------------------------- R M S F I T o f I N T E R F A C E B A C K B O N E -------------------------------------------------------------------------------- Fitting PREDICTION INTERFACE onto TARGET through 104 matching residues out of a possible 133 with RMSD of 6.5943 The matching residues are: TARGET SER 8A GLY 15A GLU 16A MET 17A GLU 18A GLU 27A ASN 32A SER 33A GLU 34A MET 44A CYS 45A PRO 46A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A ALA 84A PRO 5M ARG 6M TYR 10M GLU 11M ARG 14M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q SGEMEENSEMCPLLSEGSYEGVITCRAHLWTFAPRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT PREDICTION SER 8G GLY 15G GLU 16G MET 17G GLU 18G GLU 27G ASN 32G SER 33G GLU 34G MET 44G CYS 45G PRO 46G LEU 51G LEU 52G SER 53G GLU 54G GLY 55G SER 56G TYR 57G GLU 58G GLY 59G VAL 61G ILE 62G THR 63G CYS 64G ARG 65G ALA 66G HIS 67G LEU 68G TRP 69G THR 70G PHE 71G ALA 84G PRO 5A ARG 6A TYR 10A GLU 11A ARG 14A TYR 51A LYS 52A THR 53A SER 54A GLU 57A TYR 58A SER 60A GLN 62A GLU 64A LYS 65A MET 126A ASP 133A ARG 136A HIS 137A ALA 189A ILE 190A LEU 192A THR 193A PHE 194A SER 195A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 213A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A GLY 239A PRO 240A ALA 241A LEU 242A GLN 243A GLN 288A PHE 293A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ASP 308A LEU 309A ALA 74D GLU 77D ARG 78D PHE 143D HIS 146D LYS 150D LYS 7E PRO 8E MET 9E ARG 10E THR 11E LEU 15E LYS 21E PRO 22E SER 23E GLU 24E TYR 25E ASP 26E ILE 27E GLN 77E ARG 81E THR 82E SGEMEENSEMCPLLSEGSYEGVITCRAHLWTFAPRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT -------------------------------------------------------------------------------- C A L C U L A T I O N o f I N T E R F A C E B A C K B O N E R M S D -------------------------------------------------------------------------------- INTERFACE RMSD calculated over 133 common out of 169 INTERFACE residues I_RMSD = 6.5943 -------------------------------------------------------------------------------- FILTERING GROUPS for CONSERVATION THROUGHOUT PREDICTIONS -------------------------------------------------------------------------------- After filtering for conservation among predictions Groups summary for TARGET: MODEL contains 15062 atoms CALPHA contains 1855 atoms BACKBONE contains 7420 atoms LIGAND contains 573 atoms RECEPTOR contains 6281 atoms INTERFACE contains 667 atoms INTERFACE LIGAND contains 254 atoms INTERFACE RECEPTOR contains 413 atoms TARGET INTERFACE RECEPTOR residues are PRO 5M ARG 6M TYR 10M GLU 11M ARG 14M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q PRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT TARGET INTERFACE LIGAND residues are SER 8A GLY 15A GLU 16A MET 17A GLU 18A GLU 27A ASN 32A SER 33A GLU 34A MET 44A CYS 45A PRO 46A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A ALA 84A SGEMEENSEMCPLLSEGSYEGVITCRAHLWTFA -------------------------------------------------------------------------------- P R O J E C T I O N S -------------------------------------------------------------------------------- 1067 atoms in TARGET INTERFACE 1067 atoms in PREDICTION INTERFACE (projected) 813 atoms in TARGET INTERFACE RECEPTOR 813 atoms in PREDICTION INTERFACE RECEPTOR (projected) 573 atoms in TARGET LIGAND 573 atoms in PREDICTION LIGAND (projected) 12290 atoms in TARGET RECEPTOR 12290 atoms in PREDICTION RECEPTOR (projected) -------------------------------------------------------------------------------- R M S F I T o f I N T E R F A C E S I D E - C H A I N S -------------------------------------------------------------------------------- Fitting PREDICTION INTERFACE SIDE-CHAINS onto TARGET through 133 matching residues out of a possible 133 with RMSD of 6.9305 The matching residues are: TARGET SER 8A GLY 15A GLU 16A MET 17A GLU 18A GLU 27A ASN 32A SER 33A GLU 34A MET 44A CYS 45A PRO 46A LEU 51A LEU 52A SER 53A GLU 54A GLY 55A SER 56A TYR 57A GLU 58A GLY 59A VAL 61A ILE 62A THR 63A CYS 64A ARG 65A ALA 66A HIS 67A LEU 68A TRP 69A THR 70A PHE 71A ALA 84A PRO 5M ARG 6M TYR 10M GLU 11M ARG 14M TYR 51M LYS 52M THR 53M SER 54M GLU 57M TYR 58M SER 60M GLN 62M GLU 64M LYS 65M MET 126M ASP 133M ARG 136M HIS 137M ALA 189M ILE 190M LEU 192M THR 193M PHE 194M SER 195M PHE 196M GLU 197M THR 198M GLY 199M PHE 200M THR 201M ASN 202M MET 203M GLN 204M PHE 205M LEU 206M GLY 207M LEU 208M ALA 209M ALA 210M ASP 211M ALA 213M ALA 221M ASN 222M LEU 223M ILE 224M SER 225M SER 226M ILE 227M GLN 228M THR 229M ARG 233M HIS 234M ALA 235M GLN 236M GLN 237M GLY 238M GLY 239M PRO 240M ALA 241M LEU 242M GLN 243M GLN 288M PHE 293M TYR 295M GLU 296M TRP 297M ILE 298M ILE 299M GLY 300M GLN 301M PHE 302M GLU 303M ARG 304M SER 305M LEU 306M ASP 308M LEU 309M ALA 74P GLU 77P ARG 78P PHE 143P HIS 146P LYS 150P LYS 7Q PRO 8Q MET 9Q ARG 10Q THR 11Q LEU 15Q LYS 21Q PRO 22Q SER 23Q GLU 24Q TYR 25Q ASP 26Q ILE 27Q GLN 77Q ARG 81Q THR 82Q SGEMEENSEMCPLLSEGSYEGVITCRAHLWTFAPRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT PREDICTION SER 8G GLY 15G GLU 16G MET 17G GLU 18G GLU 27G ASN 32G SER 33G GLU 34G MET 44G CYS 45G PRO 46G LEU 51G LEU 52G SER 53G GLU 54G GLY 55G SER 56G TYR 57G GLU 58G GLY 59G VAL 61G ILE 62G THR 63G CYS 64G ARG 65G ALA 66G HIS 67G LEU 68G TRP 69G THR 70G PHE 71G ALA 84G PRO 5A ARG 6A TYR 10A GLU 11A ARG 14A TYR 51A LYS 52A THR 53A SER 54A GLU 57A TYR 58A SER 60A GLN 62A GLU 64A LYS 65A MET 126A ASP 133A ARG 136A HIS 137A ALA 189A ILE 190A LEU 192A THR 193A PHE 194A SER 195A PHE 196A GLU 197A THR 198A GLY 199A PHE 200A THR 201A ASN 202A MET 203A GLN 204A PHE 205A LEU 206A GLY 207A LEU 208A ALA 209A ALA 210A ASP 211A ALA 213A ALA 221A ASN 222A LEU 223A ILE 224A SER 225A SER 226A ILE 227A GLN 228A THR 229A ARG 233A HIS 234A ALA 235A GLN 236A GLN 237A GLY 238A GLY 239A PRO 240A ALA 241A LEU 242A GLN 243A GLN 288A PHE 293A TYR 295A GLU 296A TRP 297A ILE 298A ILE 299A GLY 300A GLN 301A PHE 302A GLU 303A ARG 304A SER 305A LEU 306A ASP 308A LEU 309A ALA 74D GLU 77D ARG 78D PHE 143D HIS 146D LYS 150D LYS 7E PRO 8E MET 9E ARG 10E THR 11E LEU 15E LYS 21E PRO 22E SER 23E GLU 24E TYR 25E ASP 26E ILE 27E GLN 77E ARG 81E THR 82E SGEMEENSEMCPLLSEGSYEGVITCRAHLWTFAPRYERYKTSEYSQEKMDRHAILTFSFETGFTNMQFLGLAADAANLISSIQTRHAQQGGPALQQFYEWIIGQFERSLDLAERFHKKPMRTLKPSEYDIQRT -------------------------------------------------------------------------------- CALCULATION of INTERFACE SIDE-CHAIN RMSD -------------------------------------------------------------------------------- TARGET and PREDICTION do show a PERFECT FIT SIDE-CHAIN RMSD calculated over 133 common out of 169 SIDE-CHAIN residues S_RMSD = 6.9305 -------------------------------------------------------------------------------- E V A L U A T I O N C L A S S I F I C A T I O N -------------------------------------------------------------------------------- fnat = 0.0417 lrmsd = 13.0019 irmsdbb = 6.5943 classification = incorrect