| ## |
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 |
|
C |
65 |
21 |
17327 |
◊ |
A |
-x,y,-z+1 |
2_556 |
63 |
20 |
17377 |
585.2 |
-3.5 |
0.492 |
1 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
52 |
17 |
17377 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
53 |
17 |
17377 |
463.6 |
1.8 |
0.925 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
C |
53 |
17 |
17327 |
◊ |
A |
x-1,y,z |
1_455 |
45 |
13 |
17377 |
447.4 |
-2.3 |
0.405 |
5 |
0 |
0 |
0.000 |
4 |
|
C |
45 |
15 |
17327 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
53 |
16 |
17358 |
435.0 |
-3.6 |
0.302 |
3 |
0 |
0 |
0.000 |
5 |
|
B |
42 |
14 |
17358 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
55 |
16 |
17377 |
409.8 |
-4.0 |
0.275 |
3 |
0 |
0 |
0.000 |
| Average: |
430.7 |
-3.3 |
0.327 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
C |
28 |
9 |
17327 |
◊ |
A |
-x,y,-z |
2_555 |
29 |
10 |
17377 |
296.3 |
-1.2 |
0.585 |
2 |
0 |
0 |
0.012 |
7 |
|
B |
25 |
9 |
17358 |
◊ |
B |
-x,y,-z |
2_555 |
24 |
9 |
17358 |
283.5 |
-0.8 |
0.609 |
2 |
0 |
0 |
0.012 |
| Average: |
289.9 |
-1.0 |
0.597 |
2 |
0 |
0 |
0.012 |
| 5 |
8 |
|
C |
32 |
13 |
17327 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
17377 |
240.3 |
-1.6 |
0.519 |
3 |
0 |
0 |
0.000 |
9 |
|
B |
22 |
6 |
17358 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
17377 |
234.9 |
-1.9 |
0.431 |
3 |
0 |
0 |
0.000 |
10 |
|
C |
23 |
6 |
17327 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
17358 |
205.1 |
-1.9 |
0.405 |
4 |
0 |
0 |
0.000 |
| Average: |
226.8 |
-1.8 |
0.452 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
B |
13 |
6 |
17358 |
◊ |
B |
-x,y,-z+1 |
2_556 |
12 |
6 |
17358 |
139.0 |
1.0 |
0.848 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
C |
8 |
4 |
17327 |
◊ |
C |
-x,y,-z+1 |
2_556 |
8 |
4 |
17327 |
77.8 |
-1.9 |
0.155 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[SO4]A:1498 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17377 |
74.7 |
-10.6 |
0.891 |
3 |
0 |
0 |
0.020 |
| 9 |
14 |
|
[SO4]A:1498 |
5 |
1 |
185 |
◊ |
C |
-x,y,-z |
2_555 |
11 |
4 |
17327 |
69.2 |
-9.9 |
0.829 |
4 |
0 |
0 |
0.010 |
| 10 |
15 |
|
[SO4]A:1497 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17377 |
62.3 |
-8.6 |
0.772 |
2 |
0 |
0 |
0.016 |
| 11 |
16 |
|
[SO4]B:1498 |
5 |
1 |
185 |
f |
[SO4]B:1498 |
-x,y,-z |
2_555 |
5 |
1 |
185 |
60.1 |
-12.7 |
0.993 |
0 |
0 |
0 |
0.100 |
| 12 |
17 |
|
[SO4]C:1497 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
17327 |
60.0 |
-8.3 |
0.761 |
4 |
0 |
0 |
0.021 |
| 13 |
18 |
|
[SO4]B:1497 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17358 |
58.9 |
-7.7 |
0.783 |
1 |
0 |
0 |
0.117 |
| 14 |
19 |
|
[SO4]B:1498 |
5 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
10 |
4 |
17358 |
56.3 |
-7.2 |
0.828 |
3 |
0 |
0 |
0.122 |
| 15 |
20 |
|
[SO4]B:1498 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
17358 |
54.7 |
-6.6 |
0.820 |
2 |
0 |
0 |
0.108 |
| 16 |
21 |
|
[CU]C:602 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
17327 |
50.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.141 |
22 |
|
[CU]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
17377 |
49.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.141 |
23 |
|
[CU]B:602 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
17358 |
49.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.141 |
| Average: |
49.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.141 |
| 17 |
24 |
|
[CU]C:603 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
17327 |
48.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.138 |
25 |
|
[CU]A:603 |
1 |
1 |
125 |
cf |
A |
x,y,z |
1_555 |
4 |
4 |
17377 |
48.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.138 |
26 |
|
[CU]B:603 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
17358 |
48.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.138 |
| Average: |
48.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.138 |
| 18 |
27 |
|
[CU]B:601 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
17358 |
48.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.149 |
28 |
|
[CU]C:601 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
17327 |
48.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.149 |
29 |
|
[CU]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
17377 |
48.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.149 |
| Average: |
48.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.149 |
| 19 |
30 |
|
[CU]A:603 |
1 |
1 |
125 |
f |
[CU]A:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 20 |
31 |
|
[CU]B:603 |
1 |
1 |
125 |
f |
[CU]B:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.048 |
| 21 |
32 |
|
[CU]C:603 |
1 |
1 |
125 |
f |
[CU]C:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 22 |
33 |
|
[CU]B:602 |
1 |
1 |
125 |
f |
[CU]B:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.042 |
| 23 |
34 |
|
[CU]A:602 |
1 |
1 |
125 |
f |
[CU]A:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.005 |
| 24 |
35 |
|
[CU]C:602 |
1 |
1 |
125 |
f |
[CU]C:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 25 |
36 |
|
[CU]A:603 |
1 |
1 |
125 |
f |
[CU]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 26 |
37 |
|
[CU]B:603 |
1 |
1 |
125 |
f |
[CU]B:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 27 |
38 |
|
[CU]C:603 |
1 |
1 |
125 |
f |
[CU]C:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 28 |
39 |
|
B |
2 |
1 |
17358 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
17377 |
7.0 |
0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
|