| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
F |
149 |
36 |
7804 |
◊ |
E |
x,y,z |
1_555 |
148 |
36 |
8131 |
1435.0 |
-23.7 |
0.021 |
12 |
0 |
0 |
0.721 |
2 |
|
D |
151 |
36 |
7984 |
◊ |
C |
x,y,z |
1_555 |
148 |
35 |
8250 |
1362.8 |
-19.1 |
0.075 |
9 |
0 |
0 |
0.721 |
3 |
|
B |
141 |
37 |
8070 |
◊ |
A |
x,y,z |
1_555 |
143 |
36 |
8103 |
1265.5 |
-16.7 |
0.127 |
11 |
0 |
0 |
0.721 |
| Average: |
1354.4 |
-19.9 |
0.074 |
11 |
0 |
0 |
0.721 |
| 2 |
4 |
|
E |
129 |
33 |
8131 |
◊ |
C |
x,y,z |
1_555 |
126 |
32 |
8250 |
1214.3 |
-5.8 |
0.557 |
20 |
7 |
0 |
0.609 |
5 |
|
D |
131 |
32 |
7984 |
◊ |
A |
x,y,z |
1_555 |
129 |
33 |
8103 |
1213.1 |
-6.4 |
0.519 |
21 |
7 |
0 |
0.609 |
6 |
|
F |
120 |
33 |
7804 |
◊ |
B |
x,y,z |
1_555 |
123 |
32 |
8070 |
1136.3 |
-8.1 |
0.472 |
16 |
4 |
0 |
0.609 |
| Average: |
1187.9 |
-6.8 |
0.516 |
19 |
6 |
0 |
0.609 |
| 3 |
7 |
|
A |
41 |
14 |
8103 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
47 |
16 |
7804 |
393.1 |
-1.8 |
0.482 |
5 |
0 |
0 |
0.007 |
| 4 |
8 |
|
B |
42 |
14 |
8070 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
38 |
12 |
8131 |
379.1 |
-2.9 |
0.455 |
1 |
1 |
0 |
0.000 |
| 5 |
9 |
|
C |
37 |
12 |
8250 |
◊ |
D |
-x-2,y-1/2,-z+3/2 |
3_346 |
40 |
12 |
7984 |
360.9 |
0.3 |
0.726 |
5 |
2 |
0 |
0.000 |
| 6 |
10 |
|
A |
46 |
18 |
8103 |
◊ |
E |
x-1,y,z |
1_455 |
40 |
16 |
8131 |
302.1 |
3.4 |
0.905 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[BEN]C:2007 |
9 |
1 |
283 |
◊ |
C |
x,y,z |
1_555 |
29 |
13 |
8250 |
196.7 |
4.8 |
0.455 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[BEN]B:2006 |
9 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
8070 |
194.5 |
4.9 |
0.499 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[BEN]E:2004 |
9 |
1 |
280 |
◊ |
E |
x,y,z |
1_555 |
20 |
9 |
8131 |
133.5 |
2.4 |
0.148 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[BEN]A:2001 |
9 |
1 |
281 |
◊ |
E |
x-1,y,z |
1_455 |
22 |
5 |
8131 |
131.3 |
2.8 |
0.143 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
A |
22 |
6 |
8103 |
◊ |
[BEN]E:2005 |
x-1,y,z |
1_455 |
9 |
1 |
279 |
120.2 |
2.2 |
0.128 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[BEN]B:2003 |
9 |
1 |
282 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
13 |
5 |
8131 |
118.0 |
2.5 |
0.116 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[BEN]C:2002 |
9 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
8250 |
112.2 |
2.2 |
0.097 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[BEN]A:2001 |
9 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8103 |
104.5 |
1.9 |
0.086 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
A |
12 |
6 |
8103 |
◊ |
[BEN]F:2008 |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
1 |
279 |
101.0 |
2.0 |
0.098 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[BEN]E:2005 |
9 |
1 |
279 |
f |
E |
x,y,z |
1_555 |
16 |
5 |
8131 |
96.4 |
1.5 |
0.067 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[BEN]F:2008 |
9 |
1 |
279 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
7804 |
87.4 |
1.7 |
0.069 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[BEN]B:2003 |
9 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8070 |
84.8 |
2.1 |
0.057 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[BEN]C:2002 |
9 |
1 |
281 |
◊ |
D |
-x-2,y-1/2,-z+3/2 |
3_346 |
9 |
4 |
7984 |
73.4 |
2.1 |
0.069 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[CL]A:1001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8103 |
59.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.539 |
25 |
|
[CL]D:1004 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
7984 |
58.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.539 |
26 |
|
[CL]B:1002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8070 |
55.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.539 |
27 |
|
[CL]C:1003 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8250 |
54.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.539 |
28 |
|
[CL]E:1005 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
8 |
8131 |
52.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.539 |
29 |
|
[CL]F:1006 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
7804 |
52.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.539 |
| Average: |
55.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.539 |
| 21 |
30 |
|
A |
7 |
4 |
8103 |
f |
[BEN]E:2004 |
x-1,y,z |
1_455 |
8 |
1 |
280 |
58.3 |
1.1 |
0.055 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[CL]F:1006 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
8131 |
48.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.227 |
32 |
|
[CL]E:1005 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
7804 |
47.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.227 |
33 |
|
[CL]C:1003 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7984 |
45.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.227 |
34 |
|
[CL]B:1002 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8103 |
19.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.227 |
35 |
|
[CL]A:1001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8070 |
10.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.227 |
36 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8250 |
4.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.227 |
| Average: |
29.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.227 |
| 23 |
37 |
|
[BEN]E:2005 |
3 |
1 |
279 |
◊ |
[BEN]E:2004 |
x,y,z |
1_555 |
6 |
1 |
280 |
38.0 |
1.6 |
0.029 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[BEN]B:2006 |
3 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
8103 |
24.9 |
-0.3 |
0.090 |
0 |
0 |
0 |
0.011 |
| 25 |
39 |
|
[BEN]A:2001 |
2 |
1 |
281 |
f |
[BEN]E:2004 |
x-1,y,z |
1_455 |
2 |
1 |
280 |
19.3 |
1.3 |
0.235 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[BEN]C:2007 |
3 |
1 |
283 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
7984 |
17.0 |
-0.2 |
0.092 |
0 |
0 |
0 |
0.008 |
|