## |
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 |
45 |
17 |
8018 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
48 |
17 |
8140 |
459.7 |
-6.3 |
0.213 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
41 |
13 |
8140 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
40 |
10 |
8140 |
391.2 |
-3.9 |
0.355 |
9 |
9 |
0 |
0.000 |
3 |
|
B |
33 |
11 |
8018 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
36 |
9 |
8018 |
337.2 |
-1.2 |
0.662 |
10 |
8 |
0 |
0.000 |
Average: |
364.2 |
-2.5 |
0.508 |
10 |
9 |
0 |
0.000 |
3 |
4 |
|
[DQY]A:302 |
8 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
40 |
15 |
8140 |
178.9 |
-2.0 |
0.425 |
3 |
0 |
0 |
0.006 |
5 |
|
[DQY]B:302 |
8 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
37 |
13 |
8018 |
173.0 |
-2.0 |
0.410 |
3 |
0 |
0 |
0.006 |
Average: |
175.9 |
-2.0 |
0.418 |
3 |
0 |
0 |
0.006 |
4 |
6 |
|
A |
19 |
7 |
8140 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
21 |
8 |
8018 |
171.0 |
-2.6 |
0.298 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[GOL]A:307 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8140 |
97.3 |
-1.2 |
0.430 |
0 |
0 |
0 |
0.002 |
6 |
8 |
|
B |
13 |
3 |
8018 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
12 |
3 |
8140 |
82.7 |
-1.7 |
0.333 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[BR]A:303 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8140 |
70.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.019 |
10 |
|
[BR]B:303 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8018 |
69.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
69.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.019 |
8 |
11 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8140 |
68.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.019 |
12 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8018 |
67.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
67.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.019 |
9 |
13 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
8140 |
65.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.017 |
14 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8018 |
65.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
65.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.017 |
10 |
15 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
8018 |
63.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.015 |
16 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8140 |
63.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
63.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.015 |
11 |
17 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
8140 |
54.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
18 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
8018 |
53.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
54.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
12 |
19 |
|
[DQY]B:302 |
4 |
1 |
294 |
cf |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.005 |
20 |
|
[DQY]A:302 |
4 |
1 |
298 |
cf |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
36.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.005 |
13 |
21 |
|
[GOL]A:307 |
2 |
1 |
218 |
f |
[CL]A:305 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
14 |
22 |
|
A |
5 |
1 |
8140 |
◊ |
[CL]A:306 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
125 |
30.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
4 |
1 |
8018 |
◊ |
[CL]B:304 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
29.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
A |
3 |
2 |
8140 |
x |
A |
x-1,y,z |
1_455 |
4 |
2 |
8140 |
17.3 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
1 |
1 |
8018 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
8018 |
0.3 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
Average: |
8.8 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
B |
2 |
2 |
8018 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
8140 |
16.8 |
-0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
B |
1 |
1 |
8018 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8140 |
1.1 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
|