| ## |
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 |
76 |
25 |
7098 |
◊ |
A |
x,y,z |
1_555 |
71 |
26 |
7182 |
832.4 |
-16.9 |
0.035 |
6 |
0 |
0 |
0.263 |
| 2 |
2 |
|
B |
82 |
24 |
7098 |
◊ |
A |
x,-y,-z+1 |
4_556 |
89 |
26 |
7182 |
790.1 |
-8.9 |
0.443 |
6 |
0 |
0 |
0.181 |
| 3 |
3 |
|
A |
82 |
22 |
7182 |
◊ |
A |
x,-y,-z+1 |
4_556 |
82 |
22 |
7182 |
757.0 |
-9.3 |
0.380 |
14 |
2 |
0 |
0.268 |
4 |
|
B |
69 |
21 |
7098 |
◊ |
B |
x,-y,-z+1 |
4_556 |
69 |
21 |
7098 |
633.1 |
-7.8 |
0.488 |
12 |
0 |
0 |
0.268 |
| Average: |
695.0 |
-8.6 |
0.434 |
13 |
1 |
0 |
0.268 |
| 4 |
5 |
|
A |
47 |
14 |
7182 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
47 |
14 |
7182 |
405.9 |
-2.7 |
0.639 |
4 |
4 |
0 |
0.004 |
| 5 |
6 |
|
A |
31 |
12 |
7182 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
8_446 |
33 |
10 |
7098 |
337.8 |
-5.2 |
0.323 |
4 |
2 |
0 |
0.136 |
| 6 |
7 |
|
[IMD]B:125 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
7098 |
127.7 |
3.4 |
0.414 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[IMD]A:125 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
7182 |
125.7 |
3.8 |
0.514 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
13 |
4 |
7098 |
x |
B |
x-1/2,-y-1/2,-z+1 |
8_446 |
10 |
3 |
7098 |
118.3 |
-0.7 |
0.621 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
15 |
6 |
7098 |
◊ |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
13 |
5 |
7182 |
106.0 |
-1.2 |
0.511 |
0 |
0 |
0 |
0.002 |
| 10 |
11 |
|
B |
15 |
5 |
7098 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
8_446 |
12 |
5 |
7182 |
101.7 |
-0.5 |
0.645 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[GOL]A:126 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
7098 |
98.0 |
-0.6 |
0.608 |
2 |
0 |
0 |
0.059 |
| 12 |
13 |
|
[GOL]B:126 |
5 |
1 |
217 |
f |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
17 |
4 |
7182 |
94.9 |
1.1 |
0.810 |
5 |
0 |
0 |
0.034 |
| 13 |
14 |
|
[SO4]A:122 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7182 |
84.1 |
-10.4 |
0.859 |
3 |
0 |
0 |
0.352 |
| 14 |
15 |
|
[GOL]B:126 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
7098 |
80.6 |
-0.9 |
0.520 |
0 |
0 |
0 |
0.001 |
| 15 |
16 |
|
[SO4]B:122 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
7098 |
75.3 |
-9.3 |
0.923 |
3 |
0 |
0 |
0.434 |
| 16 |
17 |
|
[GOL]A:126 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
7 |
6 |
7182 |
67.3 |
-0.2 |
0.542 |
1 |
0 |
0 |
0.009 |
| 17 |
18 |
|
[SO4]A:123 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7182 |
57.8 |
-6.3 |
0.912 |
1 |
0 |
0 |
0.203 |
| 18 |
19 |
|
[SO4]A:122 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
7098 |
55.7 |
-6.8 |
0.899 |
2 |
0 |
0 |
0.103 |
| 19 |
20 |
|
[CL]A:124 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7182 |
54.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.322 |
21 |
|
[CL]B:124 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
7098 |
53.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.322 |
| Average: |
53.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.322 |
| 20 |
22 |
|
[SO4]B:123 |
5 |
1 |
185 |
f |
[SO4]B:123 |
x,-y,-z+1 |
4_556 |
5 |
1 |
185 |
51.5 |
-10.7 |
0.993 |
0 |
0 |
0 |
0.140 |
| 21 |
23 |
|
B |
7 |
3 |
7098 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
7 |
3 |
7098 |
44.8 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
B |
4 |
1 |
7098 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
7098 |
44.4 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[SO4]A:123 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
8_446 |
7 |
4 |
7098 |
41.7 |
-5.5 |
0.860 |
0 |
0 |
0 |
0.102 |
| 24 |
26 |
|
[CL]A:124 |
1 |
1 |
125 |
◊ |
B |
x,-y,-z+1 |
4_556 |
4 |
2 |
7098 |
40.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.171 |
27 |
|
[CL]B:124 |
1 |
1 |
125 |
◊ |
A |
x,-y,-z+1 |
4_556 |
4 |
2 |
7182 |
39.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.171 |
| Average: |
39.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.171 |
| 25 |
28 |
|
[SO4]B:122 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7182 |
39.0 |
-5.5 |
0.569 |
0 |
0 |
0 |
0.073 |
| 26 |
29 |
|
A |
6 |
3 |
7182 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
7 |
3 |
7182 |
37.7 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[SO4]B:123 |
4 |
1 |
185 |
◊ |
A |
x,-y,-z+1 |
4_556 |
6 |
2 |
7182 |
36.5 |
-3.5 |
0.876 |
2 |
0 |
0 |
0.092 |
| 28 |
31 |
|
[SO4]B:123 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7182 |
36.0 |
-3.7 |
0.840 |
1 |
0 |
0 |
0.087 |
| 29 |
32 |
|
[SO4]B:123 |
4 |
1 |
185 |
◊ |
B |
x,-y,-z+1 |
4_556 |
6 |
3 |
7098 |
35.7 |
-3.8 |
0.865 |
1 |
0 |
0 |
0.113 |
| 30 |
33 |
|
[SO4]B:123 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7098 |
35.1 |
-3.4 |
0.887 |
1 |
0 |
0 |
0.102 |
| 31 |
34 |
|
[SO4]A:123 |
3 |
1 |
185 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
3 |
1 |
7182 |
13.0 |
-1.2 |
0.850 |
0 |
0 |
0 |
0.002 |
| 32 |
35 |
|
[SO4]A:122 |
1 |
1 |
185 |
◊ |
A |
x,-y,-z+1 |
4_556 |
2 |
1 |
7182 |
8.8 |
-1.3 |
0.577 |
0 |
0 |
0 |
0.038 |
| 33 |
36 |
|
[SO4]B:122 |
1 |
1 |
185 |
◊ |
B |
x,-y,-z+1 |
4_556 |
2 |
1 |
7098 |
6.7 |
-0.9 |
0.621 |
0 |
0 |
0 |
0.038 |
| 34 |
37 |
|
B |
1 |
1 |
7098 |
◊ |
[SO4]B:122 |
x-1/2,-y-1/2,-z+1 |
8_446 |
1 |
1 |
185 |
4.2 |
-0.4 |
0.896 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
B |
1 |
1 |
7098 |
◊ |
A |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
7182 |
0.6 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
|