## |
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 |
53 |
17 |
7802 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
50 |
15 |
7802 |
464.9 |
-2.5 |
0.399 |
6 |
2 |
0 |
0.000 |
2 |
2 |
|
A |
37 |
13 |
7955 |
x |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
35 |
11 |
7955 |
292.9 |
-1.3 |
0.470 |
4 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
28 |
8 |
7802 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
7955 |
289.4 |
0.9 |
0.723 |
7 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
28 |
9 |
7955 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
12 |
7802 |
257.8 |
-1.5 |
0.402 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
25 |
10 |
7802 |
◊ |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
24 |
7 |
7955 |
256.9 |
2.7 |
0.859 |
11 |
4 |
0 |
0.000 |
6 |
6 |
|
[MN0]A:1000 |
19 |
1 |
481 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
7955 |
230.6 |
0.6 |
0.591 |
9 |
0 |
0 |
0.084 |
7 |
|
[MN0]B:1000 |
18 |
1 |
486 |
f |
B |
x,y,z |
1_555 |
34 |
10 |
7802 |
228.9 |
0.3 |
0.560 |
10 |
0 |
0 |
0.084 |
Average: |
229.7 |
0.4 |
0.576 |
10 |
0 |
0 |
0.084 |
7 |
8 |
|
B |
26 |
9 |
7802 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
4 |
7955 |
207.3 |
-1.2 |
0.416 |
1 |
0 |
0 |
0.018 |
8 |
9 |
|
[MPD]A:4210 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
7955 |
152.3 |
-10.3 |
0.683 |
3 |
0 |
0 |
0.128 |
9 |
10 |
|
[MPD]B:4210 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
7802 |
152.3 |
-10.4 |
0.697 |
5 |
0 |
0 |
0.139 |
10 |
11 |
|
[EPE]A:2691 |
12 |
1 |
401 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
6 |
7802 |
150.3 |
4.0 |
0.053 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[MPD]A:226 |
7 |
1 |
280 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
11 |
7802 |
137.2 |
-8.8 |
0.656 |
0 |
0 |
0 |
0.097 |
12 |
13 |
|
[MPD]B:225 |
6 |
1 |
278 |
f |
B |
x-1/2,-y+3/2,-z |
4_465 |
16 |
8 |
7802 |
131.9 |
-8.9 |
0.374 |
0 |
0 |
0 |
0.099 |
13 |
14 |
|
[BEN]A:1561 |
9 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
7955 |
120.5 |
2.5 |
0.074 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
A |
14 |
7 |
7955 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
18 |
5 |
7802 |
109.2 |
0.6 |
0.688 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[MN0]A:1000 |
11 |
1 |
481 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
4 |
7802 |
107.8 |
-0.6 |
0.469 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
[EPE]A:2691 |
7 |
1 |
401 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
7955 |
95.6 |
3.5 |
0.282 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[MPD]A:226 |
4 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
7955 |
82.6 |
-5.1 |
0.658 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
A |
9 |
3 |
7955 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
7 |
4 |
7802 |
80.3 |
-0.6 |
0.405 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
B |
10 |
4 |
7802 |
f |
[SO4]A:225 |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
185 |
69.7 |
-10.6 |
0.660 |
3 |
0 |
0 |
0.131 |
20 |
21 |
|
[SO4]A:2000 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7955 |
69.5 |
-9.7 |
0.693 |
1 |
0 |
0 |
0.112 |
21 |
22 |
|
A |
11 |
6 |
7955 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
5 |
7802 |
68.0 |
-0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[EPE]A:2691 |
7 |
1 |
401 |
f |
[MN0]A:1000 |
x,y,z |
1_555 |
8 |
1 |
481 |
67.8 |
1.7 |
0.048 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[SO4]A:225 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7955 |
67.2 |
-9.5 |
0.654 |
4 |
0 |
0 |
0.125 |
24 |
25 |
|
[MPD]B:225 |
6 |
1 |
278 |
◊ |
[MN0]B:1000 |
x,y,z |
1_555 |
9 |
1 |
486 |
62.0 |
-2.7 |
0.742 |
3 |
0 |
0 |
0.000 |
25 |
26 |
|
[NA]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
7955 |
60.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.132 |
26 |
27 |
|
[MN0]B:1000 |
5 |
1 |
486 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
8 |
3 |
7802 |
38.1 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[MPD]A:4210 |
3 |
1 |
277 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
7802 |
29.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
A |
3 |
1 |
7955 |
◊ |
[SO4]A:2000 |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
185 |
22.4 |
-2.9 |
0.451 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[MPD]B:225 |
1 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7802 |
19.4 |
-1.2 |
0.511 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
A |
1 |
1 |
7955 |
◊ |
[SO4]A:225 |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
185 |
13.1 |
-1.5 |
0.373 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[NA]A:1 |
1 |
1 |
125 |
f |
[MN0]A:1000 |
x,y,z |
1_555 |
2 |
1 |
481 |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
33 |
|
[NA]B:1 |
1 |
1 |
125 |
f |
[MN0]B:1000 |
x,y,z |
1_555 |
2 |
1 |
486 |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
32 |
34 |
|
[SO4]A:2000 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7802 |
3.9 |
-0.4 |
0.855 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[EPE]A:2691 |
1 |
1 |
401 |
◊ |
[MPD]B:225 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
278 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|