| ## |
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 |
67 |
22 |
6726 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
6706 |
561.8 |
-7.1 |
0.190 |
1 |
0 |
0 |
0.007 |
| 2 |
2 |
|
A |
52 |
14 |
6706 |
x |
A |
y,x-1,-z |
4_545 |
59 |
18 |
6706 |
550.9 |
-3.7 |
0.369 |
7 |
4 |
0 |
0.000 |
3 |
|
B |
60 |
18 |
6726 |
x |
B |
-x+1,-x+y,-z-1/3 |
6_654 |
50 |
13 |
6726 |
538.3 |
-3.5 |
0.341 |
6 |
4 |
0 |
0.000 |
| Average: |
544.6 |
-3.6 |
0.355 |
7 |
4 |
0 |
0.000 |
| 3 |
4 |
|
B |
26 |
10 |
6726 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
26 |
10 |
6726 |
293.4 |
1.5 |
0.764 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
26 |
8 |
6706 |
◊ |
A |
y,x,-z |
4_555 |
26 |
8 |
6706 |
242.6 |
-2.7 |
0.327 |
0 |
0 |
0 |
0.025 |
| 5 |
6 |
|
[GOL]B:130 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
6726 |
124.5 |
-0.0 |
0.581 |
6 |
0 |
0 |
0.005 |
| 6 |
7 |
|
[GOL]A:130 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
6706 |
112.7 |
-0.3 |
0.540 |
4 |
0 |
0 |
0.039 |
| 7 |
8 |
|
[GOL]B:132 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
6726 |
103.2 |
-0.3 |
0.529 |
2 |
0 |
0 |
0.002 |
| 8 |
9 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
6726 |
102.6 |
-16.7 |
0.702 |
6 |
0 |
0 |
0.039 |
| 9 |
10 |
|
[SO4]A:401 |
5 |
1 |
186 |
cf |
A |
x,y,z |
1_555 |
13 |
7 |
6706 |
100.5 |
-17.1 |
0.676 |
2 |
0 |
0 |
0.330 |
| 10 |
11 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6706 |
99.9 |
-13.5 |
0.763 |
3 |
0 |
0 |
0.272 |
| 11 |
12 |
|
[GOL]A:133 |
5 |
1 |
215 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
6706 |
90.0 |
-1.2 |
0.397 |
0 |
0 |
0 |
0.023 |
| 12 |
13 |
|
[GOL]A:132 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
6706 |
88.6 |
0.3 |
0.617 |
3 |
0 |
0 |
0.019 |
| 13 |
14 |
|
A |
12 |
3 |
6706 |
◊ |
[GOL]A:132 |
y,x-1,-z |
4_545 |
5 |
1 |
219 |
84.4 |
0.0 |
0.574 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[GOL]B:131 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6726 |
80.0 |
0.6 |
0.693 |
4 |
0 |
0 |
0.001 |
| 15 |
16 |
|
[GOL]B:131 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6706 |
79.0 |
-1.4 |
0.430 |
0 |
0 |
0 |
0.025 |
| 16 |
17 |
|
[GOL]A:131 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
6706 |
66.2 |
-0.7 |
0.444 |
0 |
0 |
0 |
0.013 |
| 17 |
18 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6726 |
64.6 |
-8.8 |
0.662 |
1 |
0 |
0 |
0.019 |
| 18 |
19 |
|
[NH4]B:134 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6726 |
61.0 |
1.0 |
0.795 |
0 |
0 |
0 |
0.000 |
20 |
|
[NH4]A:135 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6706 |
60.5 |
1.0 |
0.812 |
0 |
0 |
0 |
0.000 |
| Average: |
60.8 |
1.0 |
0.804 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[MN]A:134 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
6706 |
59.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
22 |
|
[MN]B:133 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6726 |
58.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
59.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
| 20 |
23 |
|
[GOL]B:132 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6706 |
58.3 |
-0.1 |
0.579 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
B |
4 |
1 |
6726 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
10 |
3 |
6706 |
57.4 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[SO4]B:405 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
6726 |
56.6 |
-7.8 |
0.543 |
0 |
0 |
0 |
0.016 |
| 23 |
26 |
|
[GOL]A:130 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6726 |
46.2 |
-0.2 |
0.527 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
A |
3 |
1 |
6706 |
◊ |
[GOL]A:131 |
y,x-1,-z |
4_545 |
4 |
1 |
218 |
45.2 |
1.0 |
0.680 |
1 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[SO4]B:405 |
3 |
1 |
186 |
◊ |
B |
-x+1,-x+y,-z-1/3 |
6_654 |
3 |
1 |
6726 |
41.6 |
-3.7 |
0.968 |
2 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[SO4]A:404 |
4 |
1 |
185 |
◊ |
A |
y,x,-z |
4_555 |
4 |
1 |
6706 |
41.0 |
-4.7 |
0.906 |
1 |
0 |
0 |
0.094 |
| 27 |
30 |
|
[GOL]B:132 |
4 |
1 |
220 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
3 |
1 |
6726 |
36.8 |
0.8 |
0.749 |
1 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]B:402 |
4 |
1 |
184 |
f |
[MN]B:133 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.098 |
32 |
|
[SO4]A:401 |
4 |
1 |
186 |
f |
[MN]A:134 |
x,y,z |
1_555 |
1 |
1 |
123 |
31.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
32.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.098 |
| 29 |
33 |
|
[GOL]B:130 |
2 |
1 |
218 |
◊ |
[GOL]A:130 |
x,y,z |
1_555 |
3 |
1 |
220 |
23.5 |
-0.3 |
0.450 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[GOL]B:130 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6706 |
23.0 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
B |
6 |
3 |
6726 |
◊ |
[SO4]B:403 |
-x+1,-x+y,-z-1/3 |
6_654 |
2 |
1 |
185 |
22.7 |
-2.9 |
0.758 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[NH4]A:135 |
1 |
1 |
117 |
f |
[GOL]A:132 |
x,y,z |
1_555 |
2 |
1 |
219 |
7.0 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
A |
2 |
2 |
6706 |
◊ |
B |
y,x-1,-z |
4_545 |
2 |
2 |
6726 |
1.8 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[GOL]B:131 |
1 |
1 |
217 |
◊ |
[SO4]B:403 |
-x+1,-x+y,-z-1/3 |
6_654 |
2 |
1 |
185 |
1.1 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
|