| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
102 |
31 |
20080 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
102 |
31 |
20080 |
1007.0 |
-24.1 |
0.084 |
2 |
0 |
0 |
0.000 |
2 |
|
A |
50 |
14 |
20080 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
51 |
14 |
20080 |
437.9 |
-6.8 |
0.624 |
2 |
0 |
0 |
0.000 |
3 |
|
A |
51 |
14 |
20080 |
x |
A |
x-1/2,y-1/2,z |
5_445 |
49 |
14 |
20080 |
411.5 |
-4.1 |
0.836 |
8 |
0 |
0 |
0.000 |
4 |
|
[ZMA]A:1201 |
25 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
52 |
20 |
20080 |
386.8 |
4.1 |
0.562 |
4 |
0 |
0 |
0.000 |
5 |
|
[OLC]A:1213 |
18 |
1 |
531 |
◊ |
A |
x,y,z |
1_555 |
47 |
12 |
20080 |
313.0 |
0.8 |
0.441 |
2 |
0 |
0 |
0.000 |
6 |
|
[CLR]A:1204 |
21 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
20080 |
294.8 |
0.1 |
0.390 |
2 |
0 |
0 |
0.000 |
7 |
|
[OLA]A:1223 |
20 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
39 |
9 |
20080 |
244.2 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.000 |
8 |
|
[CLR]A:1205 |
21 |
1 |
616 |
f |
A |
x,y,z |
1_555 |
34 |
11 |
20080 |
242.5 |
-0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
9 |
|
[OLC]A:1208 |
17 |
1 |
515 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
20080 |
235.5 |
2.2 |
0.338 |
0 |
0 |
0 |
0.000 |
10 |
|
[OLC]A:1209 |
16 |
1 |
479 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
20080 |
232.8 |
-0.4 |
0.283 |
2 |
0 |
0 |
0.000 |
11 |
|
[CLR]A:1203 |
21 |
1 |
619 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
20080 |
197.9 |
0.6 |
0.284 |
1 |
0 |
0 |
0.000 |
12 |
|
[OLA]A:1216 |
16 |
1 |
491 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
24 |
9 |
20080 |
197.6 |
0.2 |
0.130 |
0 |
0 |
0 |
0.000 |
13 |
|
[OLA]A:1220 |
9 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
20080 |
197.6 |
4.0 |
0.312 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
23 |
9 |
20080 |
x |
A |
x-1,y,z |
1_455 |
23 |
7 |
20080 |
187.9 |
-0.7 |
0.859 |
0 |
0 |
0 |
0.000 |
15 |
|
[OLA]A:1222 |
13 |
1 |
441 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
17 |
10 |
20080 |
183.0 |
1.5 |
0.205 |
0 |
0 |
0 |
0.000 |
16 |
|
[OLA]A:1224 |
16 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
28 |
7 |
20080 |
174.4 |
-0.5 |
0.241 |
0 |
0 |
0 |
0.000 |
17 |
|
[OLC]A:1206 |
16 |
1 |
534 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20080 |
155.1 |
0.1 |
0.315 |
1 |
0 |
0 |
0.000 |
18 |
|
[OLA]A:1221 |
12 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
20080 |
153.4 |
1.9 |
0.103 |
0 |
0 |
0 |
0.000 |
19 |
|
[OLC]A:1210 |
14 |
1 |
506 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
20 |
4 |
20080 |
152.9 |
3.4 |
0.371 |
0 |
0 |
0 |
0.000 |
20 |
|
[OLC]A:1211 |
13 |
1 |
404 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
20080 |
149.7 |
-1.3 |
0.256 |
1 |
0 |
0 |
0.000 |
21 |
|
[OLC]A:1210 |
13 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20080 |
146.2 |
0.1 |
0.169 |
0 |
0 |
0 |
0.000 |
22 |
|
[OLA]A:1222 |
10 |
1 |
441 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20080 |
133.9 |
-1.1 |
0.176 |
0 |
0 |
0 |
0.000 |
23 |
|
[CLR]A:1205 |
20 |
1 |
616 |
f |
[CLR]A:1203 |
x-1,y,z |
1_455 |
14 |
1 |
619 |
122.4 |
1.6 |
0.157 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
15 |
4 |
20080 |
◊ |
[OLC]A:1226 |
x-1,y,z |
1_455 |
13 |
1 |
480 |
120.7 |
1.1 |
0.287 |
0 |
0 |
0 |
0.000 |
25 |
|
[OLA]A:1216 |
14 |
1 |
491 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20080 |
119.1 |
-0.2 |
0.051 |
0 |
0 |
0 |
0.000 |
26 |
|
[OLC]A:1226 |
13 |
1 |
480 |
◊ |
[CLR]A:1203 |
x,y,z |
1_555 |
16 |
1 |
619 |
117.2 |
3.8 |
0.209 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
14 |
5 |
20080 |
◊ |
[OLA]A:1224 |
x-1,y,z |
1_455 |
10 |
1 |
568 |
114.5 |
2.5 |
0.595 |
1 |
0 |
0 |
0.000 |
28 |
|
[PEG]A:1225 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20080 |
113.1 |
1.3 |
0.236 |
0 |
0 |
0 |
0.000 |
29 |
|
[OLA]A:1219 |
8 |
1 |
309 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
20080 |
107.1 |
2.1 |
0.011 |
1 |
0 |
0 |
0.000 |
30 |
|
A |
12 |
5 |
20080 |
f |
[OLC]A:1214 |
x-1,y,z |
1_455 |
12 |
1 |
502 |
101.2 |
-0.3 |
0.091 |
0 |
0 |
0 |
0.000 |
31 |
|
[CLR]A:1204 |
15 |
1 |
620 |
f |
[OLC]A:1214 |
x-1,y,z |
1_455 |
11 |
1 |
502 |
100.9 |
4.3 |
0.263 |
0 |
0 |
0 |
0.000 |
32 |
|
[OLC]A:1214 |
13 |
1 |
502 |
◊ |
[OLC]A:1206 |
x,y,z |
1_555 |
15 |
1 |
534 |
100.9 |
1.9 |
0.117 |
0 |
0 |
0 |
0.000 |
33 |
|
[OLC]A:1209 |
10 |
1 |
479 |
◊ |
[OLC]A:1208 |
x,y,z |
1_555 |
9 |
1 |
515 |
99.6 |
4.1 |
0.238 |
0 |
0 |
0 |
0.000 |
34 |
|
[OLC]A:1206 |
7 |
1 |
534 |
◊ |
[CLR]A:1203 |
x,y,z |
1_555 |
9 |
1 |
619 |
92.4 |
2.1 |
0.341 |
0 |
0 |
0 |
0.000 |
35 |
|
[OLA]A:1215 |
7 |
1 |
390 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
20080 |
92.0 |
2.0 |
0.006 |
0 |
0 |
0 |
0.000 |
36 |
|
[OLA]A:1217 |
8 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20080 |
91.5 |
1.5 |
0.419 |
0 |
0 |
0 |
0.000 |
37 |
|
[OLC]A:1207 |
7 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
20080 |
84.9 |
-2.9 |
0.308 |
0 |
0 |
0 |
0.000 |
38 |
|
[CLR]A:1205 |
12 |
1 |
616 |
◊ |
[OLC]A:1226 |
x-1,y,z |
1_455 |
7 |
1 |
480 |
82.7 |
4.0 |
0.340 |
0 |
0 |
0 |
0.000 |
39 |
|
[OLA]A:1224 |
8 |
1 |
568 |
◊ |
[OLC]A:1208 |
x,y,z |
1_555 |
8 |
1 |
515 |
79.3 |
2.1 |
0.165 |
0 |
0 |
0 |
0.000 |
40 |
|
[NA]A:1202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
20080 |
77.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[CLR]A:1204 |
7 |
1 |
620 |
◊ |
[OLC]A:1212 |
x-1,y,z |
1_455 |
11 |
1 |
373 |
77.4 |
1.7 |
0.283 |
0 |
0 |
0 |
0.000 |
42 |
|
[OLA]A:1216 |
10 |
1 |
491 |
◊ |
[OLC]A:1213 |
x,y,z |
1_555 |
10 |
1 |
531 |
77.4 |
2.9 |
0.133 |
0 |
0 |
0 |
0.000 |
43 |
|
[OLC]A:1211 |
8 |
1 |
404 |
f |
[OLC]A:1206 |
x,y,z |
1_555 |
9 |
1 |
534 |
76.4 |
2.7 |
0.308 |
0 |
0 |
0 |
0.000 |
44 |
|
[CLR]A:1205 |
7 |
1 |
616 |
◊ |
[OLC]A:1206 |
x-1,y,z |
1_455 |
12 |
1 |
534 |
75.4 |
2.9 |
0.367 |
0 |
0 |
0 |
0.000 |
45 |
|
[OLA]A:1218 |
8 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20080 |
75.2 |
0.9 |
0.376 |
0 |
0 |
0 |
0.000 |
46 |
|
[CLR]A:1205 |
8 |
1 |
616 |
f |
[OLC]A:1214 |
x-1,y,z |
1_455 |
10 |
1 |
502 |
74.3 |
2.8 |
0.251 |
0 |
0 |
0 |
0.000 |
47 |
|
[OLA]A:1223 |
7 |
1 |
595 |
f |
[OLC]A:1210 |
x,y,z |
1_555 |
11 |
1 |
506 |
72.7 |
2.7 |
0.227 |
1 |
0 |
0 |
0.000 |
48 |
|
[OLA]A:1219 |
6 |
1 |
309 |
f |
A |
x,-y+1,-z+1 |
4_566 |
10 |
5 |
20080 |
72.1 |
1.1 |
0.010 |
0 |
0 |
0 |
0.000 |
49 |
|
[OLA]A:1217 |
8 |
1 |
340 |
f |
[CLR]A:1204 |
x,y,z |
1_555 |
9 |
1 |
620 |
67.8 |
2.6 |
0.556 |
0 |
0 |
0 |
0.000 |
50 |
|
[OLC]A:1214 |
8 |
1 |
502 |
◊ |
[OLC]A:1211 |
x,y,z |
1_555 |
6 |
1 |
404 |
64.0 |
2.4 |
0.251 |
0 |
0 |
0 |
0.000 |
51 |
|
[OLA]A:1218 |
8 |
1 |
361 |
f |
[OLC]A:1211 |
x,y,z |
1_555 |
5 |
1 |
404 |
63.4 |
3.5 |
0.711 |
0 |
0 |
0 |
0.000 |
52 |
|
[OLA]A:1216 |
8 |
1 |
491 |
◊ |
[OLA]A:1215 |
x,y,z |
1_555 |
8 |
1 |
390 |
62.5 |
3.5 |
0.392 |
0 |
0 |
0 |
0.000 |
53 |
|
[OLC]A:1207 |
8 |
1 |
323 |
◊ |
[CLR]A:1203 |
x,y,z |
1_555 |
6 |
1 |
619 |
61.5 |
1.1 |
0.357 |
0 |
0 |
0 |
0.000 |
54 |
|
[OLA]A:1218 |
8 |
1 |
361 |
f |
[OLC]A:1212 |
x,y,z |
1_555 |
10 |
1 |
373 |
58.9 |
3.6 |
0.536 |
0 |
0 |
0 |
0.000 |
55 |
|
[OLC]A:1214 |
8 |
1 |
502 |
◊ |
[OLC]A:1212 |
x,y,z |
1_555 |
9 |
1 |
373 |
58.6 |
1.7 |
0.213 |
0 |
0 |
0 |
0.000 |
56 |
|
[OLA]A:1222 |
6 |
1 |
441 |
f |
[OLC]A:1210 |
x,y,z |
1_555 |
3 |
1 |
506 |
53.3 |
2.4 |
0.292 |
0 |
0 |
0 |
0.000 |
57 |
|
[OLA]A:1223 |
4 |
1 |
595 |
f |
[OLC]A:1209 |
x,y,z |
1_555 |
8 |
1 |
479 |
47.8 |
0.7 |
0.152 |
0 |
0 |
0 |
0.000 |
58 |
|
A |
7 |
4 |
20080 |
◊ |
[OLC]A:1206 |
x-1,y,z |
1_455 |
4 |
1 |
534 |
45.2 |
-0.3 |
0.276 |
0 |
0 |
0 |
0.000 |
59 |
|
[OLC]A:1226 |
7 |
1 |
480 |
f |
[OLC]A:1207 |
x,y,z |
1_555 |
7 |
1 |
323 |
40.2 |
2.1 |
0.302 |
0 |
0 |
0 |
0.000 |
60 |
|
[OLA]A:1217 |
5 |
1 |
340 |
◊ |
[OLC]A:1212 |
x-1,y,z |
1_455 |
5 |
1 |
373 |
39.2 |
1.6 |
0.564 |
0 |
0 |
0 |
0.000 |
61 |
|
[OLA]A:1219 |
6 |
1 |
309 |
◊ |
[OLA]A:1218 |
x,y,z |
1_555 |
5 |
1 |
361 |
37.6 |
2.3 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
|
A |
4 |
2 |
20080 |
f |
[OLC]A:1208 |
x-1,y,z |
1_455 |
2 |
1 |
515 |
35.4 |
0.0 |
0.440 |
1 |
0 |
0 |
0.000 |
63 |
|
[OLA]A:1215 |
3 |
1 |
390 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
7 |
1 |
20080 |
33.3 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
64 |
|
[OLA]A:1215 |
3 |
1 |
390 |
◊ |
[OLC]A:1213 |
x,y,z |
1_555 |
5 |
1 |
531 |
30.5 |
2.0 |
0.601 |
0 |
0 |
0 |
0.000 |
65 |
|
[OLA]A:1219 |
1 |
1 |
309 |
◊ |
[OLA]A:1219 |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
309 |
28.4 |
1.9 |
0.889 |
0 |
0 |
0 |
0.000 |
66 |
|
[OLA]A:1221 |
2 |
1 |
402 |
f |
[CLR]A:1204 |
x,y,z |
1_555 |
1 |
1 |
620 |
24.2 |
-0.6 |
0.112 |
0 |
0 |
0 |
0.000 |
67 |
|
[OLC]A:1213 |
2 |
1 |
531 |
◊ |
[OLC]A:1213 |
x,-y+1,-z+1 |
4_566 |
2 |
1 |
531 |
21.4 |
-0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
68 |
|
[OLC]A:1212 |
2 |
1 |
373 |
f |
[OLC]A:1211 |
x,y,z |
1_555 |
3 |
1 |
404 |
18.9 |
1.3 |
0.383 |
0 |
0 |
0 |
0.000 |
69 |
|
[OLC]A:1226 |
2 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
20080 |
15.4 |
-1.0 |
0.274 |
0 |
0 |
0 |
0.000 |
70 |
|
[OLA]A:1216 |
1 |
1 |
491 |
f |
[OLC]A:1213 |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
531 |
12.7 |
-0.4 |
0.236 |
0 |
0 |
0 |
0.000 |
71 |
|
[OLA]A:1221 |
2 |
1 |
402 |
f |
[CLR]A:1205 |
x,y,z |
1_555 |
2 |
1 |
616 |
11.1 |
-0.3 |
0.171 |
0 |
0 |
0 |
0.000 |
72 |
|
[OLA]A:1222 |
1 |
1 |
441 |
◊ |
[OLA]A:1222 |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
441 |
6.4 |
0.4 |
0.385 |
0 |
0 |
0 |
0.000 |
73 |
|
[OLC]A:1214 |
1 |
1 |
502 |
f |
[CLR]A:1203 |
x,y,z |
1_555 |
1 |
1 |
619 |
4.0 |
0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
74 |
|
A |
1 |
1 |
20080 |
◊ |
[OLC]A:1206 |
x-3/2,y-1/2,z |
5_345 |
1 |
1 |
534 |
0.2 |
-0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
75 |
|
[CLR]A:1205 |
1 |
1 |
616 |
f |
[CLR]A:1204 |
x,y,z |
1_555 |
1 |
1 |
620 |
0.1 |
-0.0 |
0.462 |
0 |
0 |
0 |
0.000 |
|