| ## |
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 |
93 |
20 |
4384 |
◊ |
A |
x,y,z |
1_555 |
97 |
21 |
4321 |
855.5 |
-8.5 |
0.242 |
13 |
15 |
0 |
0.576 |
2 |
|
D |
93 |
19 |
4496 |
◊ |
B |
x,y,z |
1_555 |
91 |
19 |
4382 |
822.3 |
-9.3 |
0.198 |
11 |
12 |
0 |
0.576 |
| Average: |
838.9 |
-8.9 |
0.220 |
12 |
14 |
0 |
0.576 |
| 2 |
3 |
|
A |
55 |
15 |
4321 |
◊ |
A |
y,x,-z |
7_555 |
54 |
15 |
4321 |
523.1 |
-1.8 |
0.547 |
6 |
2 |
0 |
0.062 |
4 |
|
D |
58 |
16 |
4496 |
◊ |
D |
y,x,-z |
7_555 |
58 |
16 |
4496 |
504.1 |
-3.4 |
0.478 |
2 |
4 |
0 |
0.062 |
| Average: |
513.6 |
-2.6 |
0.513 |
4 |
3 |
0 |
0.062 |
| 3 |
5 |
|
C |
52 |
13 |
4384 |
◊ |
B |
-y+1/2,x-1/2,z+1/2 |
3_545 |
51 |
15 |
4382 |
464.8 |
-0.8 |
0.619 |
9 |
4 |
0 |
0.000 |
| 4 |
6 |
|
D |
45 |
13 |
4496 |
◊ |
C |
x,y,z |
1_555 |
50 |
16 |
4384 |
431.3 |
-1.4 |
0.583 |
5 |
0 |
0 |
0.106 |
7 |
|
B |
44 |
16 |
4382 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
4321 |
375.6 |
-1.1 |
0.549 |
6 |
0 |
0 |
0.106 |
| Average: |
403.5 |
-1.2 |
0.566 |
6 |
0 |
0 |
0.106 |
| 5 |
8 |
|
B |
36 |
11 |
4382 |
◊ |
C |
x,y,z-1 |
1_554 |
45 |
13 |
4384 |
403.5 |
-3.2 |
0.382 |
3 |
3 |
0 |
0.000 |
| 6 |
9 |
|
D |
21 |
8 |
4496 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
4321 |
197.4 |
-3.8 |
0.156 |
0 |
0 |
0 |
0.055 |
| 7 |
10 |
|
[TRE]C:1001 |
13 |
1 |
484 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
4384 |
147.0 |
1.3 |
0.581 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
D |
15 |
4 |
4496 |
◊ |
B |
-y+1/2,x-1/2,z+1/2 |
3_545 |
14 |
3 |
4382 |
127.8 |
-1.0 |
0.482 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[TRE]C:1001 |
9 |
1 |
484 |
f |
B |
-y+1/2,x-1/2,z+1/2 |
3_545 |
16 |
7 |
4382 |
97.6 |
-0.5 |
0.504 |
0 |
0 |
0 |
0.100 |
| 10 |
13 |
|
D |
8 |
1 |
4496 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
3 |
4384 |
83.0 |
1.7 |
0.776 |
2 |
4 |
0 |
0.000 |
| 11 |
14 |
|
B |
10 |
3 |
4382 |
◊ |
A |
-y+1/2,x-1/2,z-1/2 |
3_544 |
6 |
1 |
4321 |
62.9 |
0.2 |
0.664 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
D |
7 |
3 |
4496 |
◊ |
C |
-y+1/2,x-1/2,z-1/2 |
3_544 |
7 |
1 |
4384 |
55.4 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[SO4]D:1002 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
4496 |
49.9 |
-6.0 |
0.844 |
3 |
0 |
0 |
0.261 |
| 14 |
17 |
|
[SO4]C:1003 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
4321 |
48.5 |
-5.5 |
0.908 |
2 |
0 |
0 |
0.223 |
| 15 |
18 |
|
C |
5 |
3 |
4384 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
4382 |
43.4 |
-1.4 |
0.206 |
0 |
0 |
0 |
0.020 |
| 16 |
19 |
|
[SO4]C:1003 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
4384 |
42.0 |
-4.9 |
0.714 |
2 |
0 |
0 |
0.201 |
| 17 |
20 |
|
C |
7 |
2 |
4384 |
◊ |
A |
-y+1/2,x-1/2,z+1/2 |
3_545 |
3 |
1 |
4321 |
41.9 |
-0.7 |
0.244 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[SO4]D:1002 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4382 |
36.2 |
-4.4 |
0.738 |
0 |
0 |
0 |
0.155 |
| 19 |
22 |
|
B |
7 |
2 |
4382 |
◊ |
[TRE]C:1001 |
x,y,z-1 |
1_554 |
3 |
1 |
484 |
32.8 |
0.6 |
0.600 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
6 |
3 |
4382 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
4321 |
29.1 |
0.3 |
0.685 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
D |
3 |
2 |
4496 |
◊ |
A |
y,x,-z |
7_555 |
3 |
2 |
4321 |
26.3 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[SO4]D:1002 |
3 |
1 |
186 |
◊ |
[SO4]C:1003 |
y,x,-z |
7_555 |
3 |
1 |
186 |
14.3 |
-3.1 |
0.992 |
0 |
0 |
0 |
0.041 |
| 23 |
26 |
|
D |
1 |
1 |
4496 |
◊ |
A |
-y+1/2,x-1/2,z-1/2 |
3_544 |
1 |
1 |
4321 |
3.3 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
|