| ## |
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 |
|
B |
88 |
23 |
6790 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
6839 |
771.8 |
-2.9 |
0.708 |
6 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
72 |
22 |
6790 |
◊ |
A |
-x-1,-x+y-1,-z-1/3 |
6_444 |
71 |
22 |
6839 |
649.6 |
-1.8 |
0.747 |
9 |
0 |
0 |
0.079 |
| 3 |
3 |
|
B |
69 |
20 |
6790 |
◊ |
A |
y-1,x,-z |
4_455 |
65 |
20 |
6839 |
619.3 |
-9.1 |
0.182 |
7 |
0 |
0 |
0.215 |
| 4 |
4 |
|
[BGC]A:1249 |
10 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
6790 |
100.6 |
0.8 |
0.234 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[BGC]A:1247 |
8 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6839 |
83.8 |
0.6 |
0.196 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[BGC]A:1249 |
7 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6839 |
80.5 |
1.7 |
0.417 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[BGC]A:1248 |
9 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
6839 |
80.4 |
0.9 |
0.332 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[BGC]A:1247 |
8 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
6790 |
79.1 |
1.5 |
0.349 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[BGC]A:1248 |
9 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
6790 |
76.4 |
1.5 |
0.354 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[CL]B:1247 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6790 |
68.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.397 |
11 |
|
[CL]A:1246 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
6839 |
66.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.397 |
| Average: |
67.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.397 |
| 11 |
12 |
|
[BGC]A:1248 |
7 |
1 |
293 |
cf |
[BGC]A:1247 |
x,y,z |
1_555 |
6 |
1 |
294 |
57.5 |
1.2 |
0.097 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[BGC]A:1249 |
5 |
1 |
304 |
cf |
[BGC]A:1248 |
x,y,z |
1_555 |
6 |
1 |
293 |
56.8 |
1.6 |
0.223 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[CL]B:1246 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6790 |
49.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.144 |
15 |
|
[CL]B:1246 |
1 |
1 |
125 |
◊ |
A |
-x-1,-x+y-1,-z-1/3 |
6_444 |
9 |
4 |
6839 |
48.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
48.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.144 |
| 14 |
16 |
|
[CL]B:1248 |
1 |
1 |
125 |
◊ |
A |
-x-1,-x+y-1,-z-1/3 |
6_444 |
9 |
3 |
6839 |
46.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.139 |
17 |
|
[CL]B:1248 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6790 |
46.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
46.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.139 |
| 15 |
18 |
|
[CA]A:1245 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6839 |
44.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.435 |
19 |
|
[CA]B:1245 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6790 |
44.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.435 |
| Average: |
44.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.435 |
| 16 |
20 |
|
B |
4 |
1 |
6790 |
◊ |
A |
x-y,-y,-z-2/3 |
5_554 |
2 |
1 |
6839 |
32.8 |
-1.0 |
0.166 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[BGC]A:1248 |
2 |
1 |
293 |
f |
[CL]A:1246 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 18 |
22 |
|
[CL]B:1248 |
1 |
1 |
125 |
f |
[CL]B:1246 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 19 |
23 |
|
[CL]A:1246 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6790 |
9.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[CL]B:1247 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6839 |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
9.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[BGC]A:1247 |
1 |
1 |
294 |
◊ |
[CL]B:1247 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[BGC]A:1248 |
1 |
1 |
293 |
◊ |
[CL]B:1247 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|