| ## |
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 |
455 |
115 |
21759 |
◊ |
A |
x,y,z |
1_555 |
453 |
115 |
21627 |
4270.0 |
-56.1 |
0.000 |
61 |
11 |
0 |
0.209 |
| 2 |
2 |
|
A |
54 |
16 |
21627 |
◊ |
B |
x,y,z-1 |
1_554 |
53 |
14 |
21759 |
434.7 |
-0.7 |
0.572 |
3 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
38 |
8 |
21627 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
38 |
8 |
21759 |
352.8 |
-2.2 |
0.363 |
3 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
25 |
7 |
21627 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
24 |
9 |
21759 |
221.5 |
0.5 |
0.669 |
5 |
2 |
0 |
0.000 |
| 5 |
5 |
|
A |
21 |
9 |
21627 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
22 |
8 |
21759 |
205.4 |
0.7 |
0.691 |
6 |
2 |
0 |
0.000 |
| 6 |
6 |
|
[SO4]A:612 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21627 |
113.2 |
-17.3 |
0.714 |
8 |
0 |
0 |
0.097 |
7 |
|
[SO4]B:612 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
21759 |
101.1 |
-15.7 |
0.727 |
6 |
0 |
0 |
0.097 |
| Average: |
107.1 |
-16.5 |
0.721 |
7 |
0 |
0 |
0.097 |
| 7 |
8 |
|
[SO4]B:613 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
21759 |
98.2 |
-13.5 |
0.797 |
3 |
0 |
0 |
0.074 |
9 |
|
[SO4]A:613 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
21627 |
97.4 |
-13.4 |
0.800 |
4 |
0 |
0 |
0.074 |
| Average: |
97.8 |
-13.4 |
0.799 |
4 |
0 |
0 |
0.074 |
| 8 |
10 |
|
[EDO]A:622 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
21759 |
95.7 |
1.8 |
0.221 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:620 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
21627 |
95.4 |
1.8 |
0.226 |
0 |
0 |
0 |
0.000 |
| Average: |
95.6 |
1.8 |
0.223 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[EDO]A:621 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
24 |
5 |
21627 |
95.4 |
2.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[SO4]A:614 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21627 |
95.1 |
-14.0 |
0.824 |
4 |
0 |
0 |
0.039 |
| 11 |
14 |
|
[SO4]B:611 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
21759 |
93.3 |
-13.8 |
0.691 |
3 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:611 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
21627 |
91.2 |
-13.3 |
0.701 |
2 |
0 |
0 |
0.000 |
| Average: |
92.3 |
-13.6 |
0.696 |
3 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[SO4]B:610 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
21759 |
86.1 |
-14.1 |
0.652 |
5 |
0 |
0 |
0.079 |
17 |
|
[SO4]A:610 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
21627 |
82.1 |
-13.3 |
0.663 |
5 |
0 |
0 |
0.079 |
| Average: |
84.1 |
-13.7 |
0.658 |
5 |
0 |
0 |
0.079 |
| 13 |
18 |
|
B |
9 |
2 |
21759 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
3 |
21627 |
84.5 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
A |
10 |
3 |
21627 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
4 |
21759 |
74.8 |
0.8 |
0.734 |
1 |
2 |
0 |
0.000 |
| 15 |
20 |
|
B |
10 |
2 |
21759 |
x |
B |
x,y,z-1 |
1_554 |
10 |
3 |
21759 |
73.0 |
0.5 |
0.646 |
1 |
0 |
0 |
0.000 |
21 |
|
A |
9 |
3 |
21627 |
x |
A |
x,y,z-1 |
1_554 |
7 |
2 |
21627 |
63.1 |
0.2 |
0.662 |
1 |
0 |
0 |
0.000 |
| Average: |
68.1 |
0.4 |
0.654 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[SO4]A:615 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
21627 |
72.1 |
-8.8 |
0.919 |
3 |
0 |
0 |
0.025 |
| 17 |
23 |
|
[SO4]B:615 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21759 |
67.6 |
-7.9 |
0.930 |
4 |
0 |
0 |
0.024 |
| 18 |
24 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
21627 |
44.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.041 |
25 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
21759 |
44.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
44.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.041 |
| 19 |
26 |
|
[EDO]A:622 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
21627 |
43.6 |
1.1 |
0.741 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:620 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
21759 |
43.5 |
1.1 |
0.734 |
1 |
0 |
0 |
0.000 |
| Average: |
43.5 |
1.1 |
0.738 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
A |
5 |
1 |
21627 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
1 |
21627 |
35.9 |
-1.1 |
0.211 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[ZN]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
21759 |
33.1 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.110 |
30 |
|
[ZN]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
21627 |
31.1 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
32.1 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.110 |
| 22 |
31 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
21627 |
31.6 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.124 |
32 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
21759 |
31.5 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
31.5 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.124 |
| 23 |
33 |
|
A |
3 |
1 |
21627 |
x |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
4 |
1 |
21627 |
29.2 |
1.0 |
0.811 |
1 |
2 |
0 |
0.000 |
| 24 |
34 |
|
[SO4]B:610 |
3 |
1 |
184 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.066 |
35 |
|
[SO4]A:610 |
3 |
1 |
185 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
24.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.066 |
| 25 |
36 |
|
[SO4]B:610 |
4 |
1 |
184 |
f |
[ZN]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.055 |
37 |
|
[SO4]A:610 |
4 |
1 |
185 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
21.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.055 |
| 26 |
38 |
|
[EDO]A:621 |
1 |
1 |
185 |
f |
[SO4]A:610 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.3 |
-0.8 |
0.894 |
0 |
0 |
0 |
0.002 |
| 27 |
39 |
|
B |
3 |
1 |
21759 |
x |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
4 |
2 |
21759 |
10.2 |
0.2 |
0.696 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[SO4]B:610 |
2 |
1 |
184 |
f |
[MG]B:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
41 |
|
[SO4]A:610 |
2 |
1 |
185 |
f |
[MG]A:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
8.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 29 |
42 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 30 |
43 |
|
[SO4]A:610 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21759 |
8.1 |
-0.8 |
0.839 |
0 |
0 |
0 |
0.004 |
44 |
|
[SO4]B:610 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21627 |
7.8 |
-0.7 |
0.841 |
0 |
0 |
0 |
0.004 |
| Average: |
7.9 |
-0.7 |
0.840 |
0 |
0 |
0 |
0.004 |
| 31 |
45 |
|
[EDO]A:621 |
1 |
1 |
185 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 32 |
46 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 33 |
47 |
|
[ZN]B:601 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21627 |
6.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.010 |
48 |
|
[ZN]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21759 |
6.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
6.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 34 |
49 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[ZN]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 35 |
50 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 36 |
51 |
|
[EDO]A:621 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21759 |
0.7 |
0.0 |
0.828 |
0 |
0 |
0 |
0.000 |
|