| ## |
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 |
|
D |
22 |
6 |
1160 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
1093 |
192.8 |
-1.6 |
0.565 |
2 |
0 |
0 |
0.000 |
| 2 |
2 |
|
D |
25 |
5 |
1160 |
◊ |
C |
x,y,z |
1_555 |
25 |
5 |
1177 |
161.1 |
-2.2 |
0.539 |
6 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
20 |
5 |
1093 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
1181 |
156.3 |
-2.7 |
0.466 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[CIT]A:1002 |
11 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
1181 |
139.4 |
-0.9 |
0.383 |
5 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[CIT]D:1001 |
12 |
1 |
314 |
f |
D |
x,y,z |
1_555 |
25 |
7 |
1160 |
124.6 |
-0.5 |
0.385 |
4 |
0 |
0 |
0.000 |
| 6 |
6 |
|
D |
7 |
2 |
1160 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
14 |
3 |
1177 |
89.9 |
-1.3 |
0.403 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[ERE]A:8 |
7 |
1 |
295 |
cf |
A |
x,y,z |
1_555 |
9 |
2 |
1181 |
80.8 |
1.7 |
0.518 |
0 |
0 |
0 |
0.000 |
8 |
|
[ERE]C:8 |
7 |
1 |
297 |
cf |
C |
x,y,z |
1_555 |
10 |
2 |
1177 |
78.8 |
1.8 |
0.523 |
0 |
0 |
0 |
0.000 |
| Average: |
79.8 |
1.7 |
0.520 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[CIT]C:1003 |
3 |
1 |
151 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
1177 |
80.1 |
2.0 |
0.417 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[CIT]D:1001 |
6 |
1 |
314 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
1093 |
77.6 |
0.9 |
0.572 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[ERE]C:8 |
4 |
1 |
297 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
1160 |
77.1 |
-0.1 |
0.318 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[ERE]D:8 |
4 |
1 |
297 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
1177 |
75.0 |
-0.0 |
0.278 |
1 |
0 |
0 |
0.000 |
13 |
|
[ERE]B:8 |
4 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
1181 |
73.8 |
0.1 |
0.298 |
1 |
0 |
0 |
0.000 |
| Average: |
74.4 |
0.1 |
0.288 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
7 |
1 |
1181 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
12 |
3 |
1160 |
74.5 |
-0.9 |
0.442 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[ERE]B:8 |
7 |
1 |
296 |
cf |
B |
x,y,z |
1_555 |
10 |
2 |
1093 |
72.1 |
1.5 |
0.497 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[ERE]D:8 |
7 |
1 |
297 |
cf |
D |
x,y,z |
1_555 |
11 |
2 |
1160 |
71.9 |
1.7 |
0.503 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
B |
13 |
3 |
1093 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
1177 |
71.4 |
-0.8 |
0.426 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[ERE]A:8 |
4 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
1093 |
69.7 |
-0.0 |
0.303 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
A |
12 |
3 |
1181 |
◊ |
[BGC]B:9 |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
1 |
292 |
68.6 |
1.2 |
0.383 |
1 |
0 |
0 |
0.000 |
20 |
|
[BGC]D:9 |
4 |
1 |
294 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
1177 |
63.6 |
1.0 |
0.473 |
1 |
0 |
0 |
0.000 |
| Average: |
66.1 |
1.1 |
0.428 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[BGC]B:9 |
6 |
1 |
292 |
cf |
B |
x,y,z |
1_555 |
11 |
3 |
1093 |
67.1 |
0.6 |
0.312 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[RAM]B:10 |
6 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
1093 |
62.3 |
-1.4 |
0.171 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[BGC]D:9 |
6 |
1 |
294 |
cf |
D |
x,y,z |
1_555 |
11 |
3 |
1160 |
59.1 |
0.6 |
0.325 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[RAM]C:10 |
6 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
1177 |
58.3 |
0.4 |
0.298 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[BGC]C:9 |
7 |
1 |
292 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
1177 |
58.3 |
-1.5 |
0.147 |
1 |
0 |
0 |
0.000 |
26 |
|
[BGC]A:9 |
7 |
1 |
289 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
1181 |
57.1 |
-1.4 |
0.154 |
2 |
0 |
0 |
0.000 |
| Average: |
57.7 |
-1.4 |
0.150 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[RAM]D:10 |
6 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
1160 |
56.3 |
-1.6 |
0.137 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
A |
7 |
3 |
1181 |
◊ |
[ERE]C:8 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
297 |
54.3 |
1.8 |
0.605 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[RAM]B:10 |
6 |
1 |
281 |
cf |
[BGC]B:9 |
x,y,z |
1_555 |
5 |
1 |
292 |
53.4 |
2.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[RAM]A:10 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
1181 |
53.0 |
0.5 |
0.247 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[RAM]D:10 |
6 |
1 |
280 |
cf |
[BGC]D:9 |
x,y,z |
1_555 |
4 |
1 |
294 |
51.7 |
2.4 |
0.305 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
6 |
2 |
1093 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
1177 |
50.4 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[RAM]C:10 |
5 |
1 |
279 |
◊ |
[RAM]B:10 |
x,y,z-1 |
1_554 |
6 |
1 |
281 |
50.4 |
1.2 |
0.183 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[BGC]B:9 |
7 |
1 |
292 |
◊ |
[BGC]A:9 |
x,y,z |
1_555 |
5 |
1 |
289 |
45.6 |
1.4 |
0.161 |
0 |
0 |
0 |
0.000 |
35 |
|
[BGC]D:9 |
7 |
1 |
294 |
◊ |
[BGC]C:9 |
x,y,z |
1_555 |
6 |
1 |
292 |
45.4 |
1.5 |
0.157 |
0 |
0 |
0 |
0.000 |
| Average: |
45.5 |
1.4 |
0.159 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[RAM]A:10 |
6 |
1 |
279 |
cf |
[BGC]A:9 |
x,y,z |
1_555 |
4 |
1 |
289 |
45.5 |
2.2 |
0.283 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[RAM]C:10 |
6 |
1 |
279 |
cf |
[BGC]C:9 |
x,y,z |
1_555 |
4 |
1 |
292 |
45.0 |
2.2 |
0.312 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[RAM]D:10 |
5 |
1 |
280 |
◊ |
[BGC]C:9 |
x,y,z |
1_555 |
6 |
1 |
292 |
43.5 |
1.4 |
0.180 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[BGC]A:9 |
6 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
1093 |
43.3 |
0.7 |
0.381 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[CIT]A:1002 |
5 |
1 |
309 |
f |
[RAM]A:10 |
x,y,z |
1_555 |
4 |
1 |
279 |
42.8 |
1.1 |
0.246 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[RAM]D:10 |
6 |
1 |
280 |
◊ |
[RAM]A:10 |
x,y,z-1 |
1_554 |
4 |
1 |
279 |
40.9 |
0.9 |
0.169 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[BGC]C:9 |
6 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
1160 |
40.5 |
0.7 |
0.398 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[RAM]B:10 |
4 |
1 |
281 |
◊ |
[BGC]A:9 |
x,y,z |
1_555 |
6 |
1 |
289 |
37.8 |
1.2 |
0.204 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[CIT]D:1001 |
4 |
1 |
314 |
f |
[BGC]D:9 |
x,y,z |
1_555 |
4 |
1 |
294 |
37.3 |
1.1 |
0.351 |
1 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[ERE]A:8 |
2 |
1 |
295 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
1177 |
36.7 |
-0.1 |
0.438 |
1 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[RAM]C:10 |
5 |
1 |
279 |
◊ |
[RAM]A:10 |
x,y,z-1 |
1_554 |
3 |
1 |
279 |
35.0 |
2.0 |
0.319 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
A |
3 |
1 |
1181 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
1093 |
33.8 |
-1.0 |
0.240 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[BGC]C:9 |
5 |
1 |
292 |
◊ |
[RAM]A:10 |
x,y,z-1 |
1_554 |
6 |
1 |
279 |
33.6 |
0.9 |
0.115 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[RAM]C:10 |
4 |
1 |
279 |
◊ |
[BGC]A:9 |
x,y,z-1 |
1_554 |
4 |
1 |
289 |
32.2 |
1.1 |
0.283 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
D |
4 |
1 |
1160 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
1177 |
31.9 |
-1.0 |
0.251 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[CIT]A:1002 |
4 |
1 |
309 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
1160 |
31.7 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[RAM]D:10 |
2 |
1 |
280 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
1177 |
31.6 |
1.0 |
0.567 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[RAM]D:10 |
4 |
1 |
280 |
◊ |
[RAM]C:10 |
x,y,z |
1_555 |
5 |
1 |
279 |
31.2 |
1.6 |
0.273 |
0 |
0 |
0 |
0.000 |
| 49 |
54 |
|
A |
2 |
1 |
1181 |
◊ |
[ERE]B:8 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
296 |
30.0 |
-0.4 |
0.232 |
0 |
0 |
0 |
0.000 |
55 |
|
[ERE]D:8 |
4 |
1 |
297 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
1177 |
28.0 |
-0.2 |
0.253 |
0 |
0 |
0 |
0.000 |
| Average: |
29.0 |
-0.3 |
0.243 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[RAM]B:10 |
2 |
1 |
281 |
◊ |
[RAM]A:10 |
x,y,z |
1_555 |
4 |
1 |
279 |
29.4 |
1.6 |
0.409 |
0 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[BGC]C:9 |
3 |
1 |
292 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
1177 |
27.4 |
0.6 |
0.450 |
0 |
0 |
0 |
0.000 |
| 52 |
58 |
|
A |
3 |
2 |
1181 |
◊ |
[BGC]A:9 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
289 |
25.1 |
0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
[RAM]B:10 |
1 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
1181 |
21.1 |
0.6 |
0.628 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
[ERE]B:8 |
1 |
1 |
296 |
◊ |
[BGC]B:9 |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
292 |
18.9 |
-0.1 |
0.271 |
0 |
0 |
0 |
0.000 |
61 |
|
[BGC]D:9 |
2 |
1 |
294 |
◊ |
[ERE]D:8 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
297 |
17.0 |
-0.1 |
0.254 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
-0.1 |
0.262 |
0 |
0 |
0 |
0.000 |
| 55 |
62 |
|
A |
2 |
2 |
1181 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
1177 |
17.1 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 56 |
63 |
|
[CIT]D:1001 |
3 |
1 |
314 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
1177 |
17.1 |
0.3 |
0.454 |
0 |
0 |
0 |
0.000 |
| 57 |
64 |
|
A |
3 |
1 |
1181 |
◊ |
[RAM]B:10 |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
281 |
15.2 |
0.2 |
0.290 |
0 |
0 |
0 |
0.000 |
| 58 |
65 |
|
[CIT]D:1001 |
4 |
1 |
314 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
1177 |
14.9 |
0.3 |
0.522 |
0 |
0 |
0 |
0.000 |
| 59 |
66 |
|
[BGC]C:9 |
3 |
1 |
292 |
◊ |
[BGC]A:9 |
x,y,z-1 |
1_554 |
3 |
1 |
289 |
14.1 |
0.4 |
0.267 |
0 |
0 |
0 |
0.000 |
| 60 |
67 |
|
[RAM]C:10 |
2 |
1 |
279 |
◊ |
[BGC]B:9 |
x,y,z-1 |
1_554 |
3 |
1 |
292 |
10.0 |
0.3 |
0.280 |
0 |
0 |
0 |
0.000 |
| 61 |
68 |
|
A |
3 |
1 |
1181 |
◊ |
[RAM]C:10 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
279 |
9.9 |
-0.1 |
0.399 |
0 |
0 |
0 |
0.000 |
| 62 |
69 |
|
[CIT]A:1002 |
1 |
1 |
309 |
f |
[BGC]A:9 |
x,y,z |
1_555 |
2 |
1 |
289 |
9.0 |
0.3 |
0.210 |
0 |
0 |
0 |
0.000 |
| 63 |
70 |
|
[ERE]D:8 |
4 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1093 |
8.3 |
0.3 |
0.468 |
0 |
0 |
0 |
0.000 |
| 64 |
71 |
|
[ERE]B:8 |
4 |
1 |
296 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
1160 |
8.2 |
0.3 |
0.482 |
0 |
0 |
0 |
0.000 |
| 65 |
72 |
|
[CIT]C:1003 |
1 |
1 |
151 |
◊ |
[RAM]C:10 |
x,y,z |
1_555 |
1 |
1 |
279 |
6.3 |
0.4 |
0.548 |
0 |
0 |
0 |
0.000 |
| 66 |
73 |
|
[BGC]D:9 |
1 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
1093 |
5.4 |
-0.0 |
0.300 |
0 |
0 |
0 |
0.000 |
| 67 |
74 |
|
[BGC]D:9 |
2 |
1 |
294 |
◊ |
[RAM]A:10 |
x,y,z-1 |
1_554 |
1 |
1 |
279 |
4.6 |
0.1 |
0.230 |
0 |
0 |
0 |
0.000 |
| 68 |
75 |
|
[BGC]B:9 |
1 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1160 |
4.1 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.000 |
| 69 |
76 |
|
B |
1 |
1 |
1093 |
f |
[CIT]C:1003 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
151 |
3.9 |
0.1 |
0.822 |
0 |
0 |
0 |
0.000 |
| 70 |
77 |
|
C |
1 |
1 |
1177 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
1177 |
3.7 |
-0.4 |
0.268 |
0 |
0 |
0 |
0.000 |
| 71 |
78 |
|
A |
1 |
1 |
1181 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
1181 |
3.3 |
-0.4 |
0.274 |
0 |
0 |
0 |
0.000 |
| 72 |
79 |
|
[ERE]A:8 |
1 |
1 |
295 |
◊ |
[RAM]B:10 |
-x,y-1/2,-z+2 |
2_547 |
2 |
1 |
281 |
2.3 |
0.1 |
0.306 |
0 |
0 |
0 |
0.000 |
| 73 |
80 |
|
[BGC]D:9 |
1 |
1 |
294 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1177 |
2.2 |
0.0 |
0.277 |
0 |
0 |
0 |
0.000 |
81 |
|
[BGC]B:9 |
1 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1181 |
2.1 |
0.0 |
0.281 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
0.0 |
0.279 |
0 |
0 |
0 |
0.000 |
| 74 |
82 |
|
[ERE]A:8 |
1 |
1 |
295 |
◊ |
[ERE]C:8 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
297 |
1.7 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
|