| ## |
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 |
|
G |
75 |
23 |
7064 |
◊ |
A |
x,y,z |
1_555 |
75 |
19 |
7582 |
671.9 |
-0.2 |
0.579 |
13 |
13 |
0 |
0.337 |
2 |
|
H |
69 |
20 |
6855 |
◊ |
B |
x,y,z |
1_555 |
72 |
19 |
7609 |
643.6 |
-0.7 |
0.553 |
11 |
15 |
0 |
0.337 |
3 |
|
D |
71 |
21 |
7456 |
◊ |
C |
x,y,z |
1_555 |
73 |
19 |
7646 |
642.6 |
-0.1 |
0.605 |
9 |
13 |
0 |
0.337 |
4 |
|
F |
68 |
17 |
7362 |
◊ |
E |
x,y,z |
1_555 |
68 |
23 |
7419 |
613.5 |
-0.9 |
0.552 |
11 |
15 |
0 |
0.337 |
| Average: |
642.9 |
-0.5 |
0.572 |
11 |
14 |
0 |
0.337 |
| 2 |
5 |
|
E |
55 |
18 |
7419 |
◊ |
D |
x,y,z-1 |
1_554 |
57 |
14 |
7456 |
469.9 |
-2.5 |
0.411 |
2 |
3 |
0 |
0.000 |
| 3 |
6 |
|
E |
49 |
11 |
7419 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
11 |
7582 |
460.3 |
1.1 |
0.700 |
13 |
5 |
0 |
0.170 |
7 |
|
H |
50 |
11 |
6855 |
◊ |
C |
x,y,z |
1_555 |
51 |
11 |
7646 |
456.4 |
1.5 |
0.705 |
12 |
4 |
0 |
0.170 |
8 |
|
D |
51 |
11 |
7456 |
◊ |
B |
x,y,z |
1_555 |
49 |
11 |
7609 |
453.8 |
1.3 |
0.716 |
11 |
5 |
0 |
0.170 |
9 |
|
F |
49 |
11 |
7362 |
◊ |
G |
x-1,y,z |
1_455 |
51 |
11 |
7064 |
453.4 |
1.2 |
0.677 |
12 |
5 |
0 |
0.170 |
| Average: |
456.0 |
1.3 |
0.699 |
12 |
5 |
0 |
0.170 |
| 4 |
10 |
|
C |
39 |
15 |
7646 |
◊ |
B |
x,y,z |
1_555 |
34 |
13 |
7609 |
368.1 |
0.3 |
0.620 |
2 |
0 |
0 |
0.008 |
11 |
|
F |
22 |
10 |
7362 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
7 |
7582 |
214.8 |
-0.1 |
0.576 |
1 |
0 |
0 |
0.008 |
| Average: |
291.5 |
0.1 |
0.598 |
2 |
0 |
0 |
0.008 |
| 5 |
12 |
|
D |
38 |
9 |
7456 |
◊ |
H |
x-1,y,z |
1_455 |
43 |
11 |
6855 |
354.3 |
-2.4 |
0.350 |
4 |
0 |
0 |
0.071 |
13 |
|
G |
36 |
11 |
7064 |
◊ |
E |
x,y,z |
1_555 |
40 |
9 |
7419 |
337.1 |
-3.2 |
0.284 |
4 |
0 |
0 |
0.071 |
| Average: |
345.7 |
-2.8 |
0.317 |
4 |
0 |
0 |
0.071 |
| 6 |
14 |
|
F |
37 |
14 |
7362 |
◊ |
A |
x-1,y-1,z |
1_445 |
36 |
13 |
7582 |
352.1 |
-6.7 |
0.074 |
2 |
0 |
0 |
0.000 |
15 |
|
C |
28 |
11 |
7646 |
◊ |
B |
x,y-1,z |
1_545 |
30 |
12 |
7609 |
327.7 |
-7.1 |
0.038 |
2 |
0 |
0 |
0.000 |
| Average: |
339.9 |
-6.9 |
0.056 |
2 |
0 |
0 |
0.000 |
| 7 |
16 |
|
D |
26 |
9 |
7456 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
9 |
7609 |
252.5 |
2.0 |
0.798 |
4 |
1 |
0 |
0.003 |
17 |
|
E |
26 |
9 |
7419 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
7582 |
252.3 |
2.1 |
0.801 |
3 |
1 |
0 |
0.003 |
18 |
|
G |
27 |
9 |
7064 |
◊ |
F |
x,y,z |
1_555 |
25 |
8 |
7362 |
242.0 |
1.3 |
0.696 |
4 |
1 |
0 |
0.003 |
19 |
|
C |
24 |
9 |
7646 |
◊ |
H |
x-1,y,z |
1_455 |
31 |
10 |
6855 |
241.2 |
1.6 |
0.760 |
4 |
1 |
0 |
0.003 |
| Average: |
247.0 |
1.8 |
0.764 |
4 |
1 |
0 |
0.003 |
| 8 |
20 |
|
G |
19 |
5 |
7064 |
◊ |
H |
x,y,z-1 |
1_554 |
23 |
8 |
6855 |
188.2 |
-0.5 |
0.507 |
2 |
2 |
0 |
0.000 |
| 9 |
21 |
|
B |
23 |
7 |
7609 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
7582 |
170.5 |
-1.0 |
0.476 |
0 |
1 |
0 |
0.000 |
22 |
|
F |
23 |
7 |
7362 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
7646 |
169.6 |
-1.0 |
0.460 |
0 |
1 |
0 |
0.000 |
| Average: |
170.0 |
-1.0 |
0.468 |
0 |
1 |
0 |
0.000 |
| 10 |
23 |
|
E |
22 |
10 |
7419 |
◊ |
G |
x-1,y,z |
1_455 |
17 |
7 |
7064 |
162.2 |
-2.6 |
0.237 |
1 |
0 |
0 |
0.050 |
24 |
|
H |
3 |
3 |
6855 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
7456 |
9.0 |
-0.2 |
0.469 |
0 |
0 |
0 |
0.050 |
| Average: |
85.6 |
-1.4 |
0.353 |
1 |
0 |
0 |
0.050 |
| 11 |
25 |
|
E |
10 |
3 |
7419 |
◊ |
H |
x-1,y,z-1 |
1_454 |
17 |
6 |
6855 |
98.9 |
-2.4 |
0.160 |
0 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[SO4]F:301 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
7362 |
81.7 |
-10.5 |
0.805 |
4 |
0 |
0 |
0.518 |
| 13 |
27 |
|
[SO4]C:301 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
7646 |
79.8 |
-10.3 |
0.804 |
4 |
0 |
0 |
0.181 |
| 14 |
28 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
7609 |
77.7 |
-10.0 |
0.817 |
5 |
0 |
0 |
0.516 |
| 15 |
29 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
7582 |
77.6 |
-9.9 |
0.820 |
4 |
0 |
0 |
0.194 |
| 16 |
30 |
|
C |
6 |
2 |
7646 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
7609 |
76.1 |
-2.0 |
0.118 |
0 |
0 |
0 |
0.030 |
31 |
|
F |
6 |
2 |
7362 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7582 |
74.8 |
-2.0 |
0.116 |
0 |
0 |
0 |
0.030 |
| Average: |
75.5 |
-2.0 |
0.117 |
0 |
0 |
0 |
0.030 |
| 17 |
32 |
|
[SO4]A:301 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
7419 |
61.3 |
-7.7 |
0.695 |
1 |
0 |
0 |
0.118 |
| 18 |
33 |
|
D |
13 |
4 |
7456 |
◊ |
[SO4]B:301 |
x-1,y,z |
1_455 |
5 |
1 |
184 |
59.2 |
-7.4 |
0.701 |
2 |
0 |
0 |
0.124 |
| 19 |
34 |
|
[SO4]C:301 |
4 |
1 |
186 |
◊ |
H |
x-1,y,z |
1_455 |
11 |
4 |
6855 |
57.0 |
-7.4 |
0.671 |
1 |
0 |
0 |
0.118 |
| 20 |
35 |
|
[SO4]F:301 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
7064 |
54.8 |
-7.2 |
0.671 |
1 |
0 |
0 |
0.110 |
| 21 |
36 |
|
[SO4]C:301 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7456 |
29.7 |
-2.0 |
0.961 |
1 |
0 |
0 |
0.037 |
| 22 |
37 |
|
[SO4]F:301 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7419 |
28.4 |
-3.0 |
0.854 |
1 |
0 |
0 |
0.145 |
| 23 |
38 |
|
[SO4]A:301 |
3 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
7064 |
26.8 |
-2.8 |
0.921 |
1 |
0 |
0 |
0.053 |
| 24 |
39 |
|
[SO4]B:301 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
6855 |
26.6 |
-3.1 |
0.871 |
1 |
0 |
0 |
0.150 |
|