| ## |
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 |
59 |
17 |
7996 |
◊ |
A |
-x+1,-y,z-1/2 |
2_654 |
57 |
15 |
7889 |
531.3 |
-0.9 |
0.544 |
4 |
1 |
0 |
0.002 |
| 2 |
2 |
|
A |
42 |
12 |
7889 |
x |
A |
-y+1,x-1,z-1/4 |
3_644 |
53 |
13 |
7889 |
467.4 |
-3.6 |
0.303 |
3 |
1 |
0 |
0.000 |
3 |
|
B |
44 |
12 |
7996 |
x |
B |
-y+1,x,z-1/4 |
3_654 |
50 |
12 |
7996 |
413.1 |
-5.5 |
0.221 |
0 |
0 |
0 |
0.000 |
| Average: |
440.2 |
-4.5 |
0.262 |
2 |
1 |
0 |
0.000 |
| 3 |
4 |
|
B |
44 |
10 |
7996 |
◊ |
A |
x,y,z |
1_555 |
45 |
15 |
7889 |
380.4 |
-1.2 |
0.490 |
7 |
0 |
0 |
0.003 |
| 4 |
5 |
|
[GOL]B:1001 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
6 |
7996 |
119.5 |
-0.5 |
0.524 |
4 |
0 |
0 |
0.003 |
| 5 |
6 |
|
[SO4]A:150 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7889 |
107.6 |
-13.9 |
0.617 |
1 |
0 |
0 |
0.022 |
| 6 |
7 |
|
[GOL]A:1002 |
6 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
7889 |
94.9 |
-1.1 |
0.388 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
10 |
6 |
7889 |
f |
[GOL]A:1002 |
-y+1,x-1,z-1/4 |
3_644 |
6 |
1 |
222 |
89.8 |
-0.2 |
0.489 |
4 |
0 |
0 |
0.003 |
| 8 |
9 |
|
[SO4]A:147 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7889 |
86.2 |
-13.7 |
0.750 |
4 |
0 |
0 |
0.023 |
| 9 |
10 |
|
[SO4]B:146 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
7996 |
85.1 |
-13.2 |
0.764 |
4 |
0 |
0 |
0.022 |
| 10 |
11 |
|
[SO4]A:146 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
7889 |
82.4 |
-10.9 |
0.757 |
1 |
0 |
0 |
0.017 |
| 11 |
12 |
|
[GOL]A:1003 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7889 |
80.9 |
-0.7 |
0.499 |
2 |
0 |
0 |
0.001 |
| 12 |
13 |
|
[SO4]B:148 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
7996 |
80.6 |
-10.5 |
0.786 |
1 |
0 |
0 |
0.016 |
| 13 |
14 |
|
[SO4]A:149 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7889 |
76.9 |
-10.4 |
0.872 |
4 |
0 |
0 |
0.018 |
| 14 |
15 |
|
[SO4]B:150 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7996 |
74.0 |
-10.2 |
0.670 |
1 |
0 |
0 |
0.015 |
| 15 |
16 |
|
[GOL]A:1000 |
6 |
1 |
219 |
f |
A |
-y+1,x-1,z-1/4 |
3_644 |
8 |
3 |
7889 |
72.9 |
0.5 |
0.665 |
3 |
0 |
0 |
0.001 |
| 16 |
17 |
|
[NH4]B:312 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7996 |
67.2 |
1.0 |
0.727 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[NH4]B:309 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7996 |
63.2 |
0.9 |
0.733 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[NH4]B:307 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
8 |
6 |
7996 |
62.0 |
1.3 |
0.770 |
0 |
0 |
0 |
0.000 |
20 |
|
[NH4]A:304 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
7 |
6 |
7889 |
49.3 |
1.0 |
0.768 |
0 |
0 |
0 |
0.000 |
| Average: |
55.6 |
1.1 |
0.769 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[SO4]A:148 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
7889 |
61.7 |
-6.7 |
0.937 |
4 |
0 |
0 |
0.013 |
| 20 |
22 |
|
[SO4]B:147 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
7996 |
59.9 |
-6.4 |
0.939 |
3 |
0 |
0 |
0.011 |
| 21 |
23 |
|
[NH4]B:311 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
7996 |
57.2 |
0.7 |
0.722 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
B |
4 |
2 |
7996 |
◊ |
[SO4]A:149 |
-x+1,-y,z-1/2 |
2_654 |
4 |
1 |
185 |
56.3 |
-7.5 |
0.389 |
1 |
0 |
0 |
0.005 |
| 23 |
25 |
|
[GOL]A:1000 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7889 |
52.8 |
-0.1 |
0.527 |
1 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[SO4]B:149 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
7996 |
50.4 |
-6.5 |
0.679 |
1 |
0 |
0 |
0.010 |
| 25 |
27 |
|
[GOL]A:1003 |
4 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
7996 |
49.7 |
-0.4 |
0.439 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[NH4]A:303 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
7889 |
49.0 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[SO4]A:151 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7996 |
41.3 |
-5.4 |
0.648 |
0 |
0 |
0 |
0.008 |
| 28 |
30 |
|
A |
3 |
1 |
7889 |
◊ |
[SO4]A:146 |
-y+1,x-1,z-1/4 |
3_644 |
4 |
1 |
185 |
38.8 |
-4.0 |
0.931 |
2 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[GOL]B:1001 |
4 |
1 |
220 |
f |
[GOL]A:1003 |
x,y,z |
1_555 |
3 |
1 |
218 |
36.9 |
-0.6 |
0.464 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[SO4]A:151 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7889 |
34.5 |
-4.5 |
0.889 |
1 |
0 |
0 |
0.003 |
| 31 |
33 |
|
[SO4]B:148 |
4 |
1 |
185 |
◊ |
B |
-y+1,x,z-1/4 |
3_654 |
3 |
1 |
7996 |
33.5 |
-4.0 |
0.912 |
1 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[GOL]A:1003 |
2 |
1 |
218 |
f |
[SO4]A:151 |
x,y,z |
1_555 |
3 |
1 |
185 |
33.1 |
-3.9 |
0.761 |
1 |
0 |
0 |
0.006 |
| 33 |
35 |
|
[NH4]B:311 |
1 |
1 |
117 |
f |
[SO4]B:146 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.9 |
-2.9 |
0.999 |
0 |
0 |
0 |
0.004 |
| 34 |
36 |
|
[NH4]A:303 |
1 |
1 |
117 |
f |
A |
-y+1,x-1,z-1/4 |
3_644 |
6 |
2 |
7889 |
30.0 |
0.2 |
0.744 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[NH4]A:304 |
1 |
1 |
117 |
f |
[NH4]A:303 |
x,y,z |
1_555 |
1 |
1 |
117 |
22.2 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
B |
4 |
1 |
7996 |
◊ |
A |
-y,x,z-1/4 |
3_554 |
2 |
2 |
7889 |
21.7 |
0.6 |
0.647 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[GOL]B:1001 |
3 |
1 |
220 |
f |
[SO4]A:151 |
x,y,z |
1_555 |
1 |
1 |
185 |
19.4 |
-2.8 |
0.606 |
0 |
0 |
0 |
0.004 |
| 38 |
40 |
|
B |
1 |
1 |
7996 |
◊ |
A |
-y,x-1,z-1/4 |
3_544 |
1 |
1 |
7889 |
18.4 |
0.9 |
0.917 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[SO4]B:147 |
1 |
1 |
185 |
◊ |
A |
-y+1,x,z-1/4 |
3_654 |
3 |
1 |
7889 |
17.1 |
-2.2 |
0.730 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
B |
2 |
2 |
7996 |
◊ |
[SO4]A:149 |
-y,x,z-1/4 |
3_554 |
4 |
1 |
185 |
14.9 |
-1.7 |
0.559 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[SO4]B:147 |
1 |
1 |
185 |
◊ |
B |
-y+1,x,z-1/4 |
3_654 |
3 |
1 |
7996 |
13.6 |
-1.8 |
0.604 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
B |
1 |
1 |
7996 |
◊ |
A |
-y+1,x-1,z-1/4 |
3_644 |
2 |
2 |
7889 |
12.0 |
0.7 |
0.870 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[SO4]A:148 |
1 |
1 |
185 |
f |
[SO4]A:147 |
x,y,z |
1_555 |
3 |
1 |
185 |
11.8 |
-2.8 |
0.891 |
0 |
0 |
0 |
0.004 |
| 44 |
46 |
|
A |
1 |
1 |
7889 |
◊ |
[SO4]A:148 |
-y+1,x-1,z-1/4 |
3_644 |
2 |
1 |
185 |
10.9 |
-1.1 |
0.909 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[SO4]B:147 |
1 |
1 |
185 |
f |
[SO4]B:146 |
x,y,z |
1_555 |
3 |
1 |
185 |
8.4 |
-2.0 |
0.891 |
0 |
0 |
0 |
0.003 |
|