| ## |
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 |
|
C |
161 |
44 |
11166 |
◊ |
A |
x,y,z |
1_555 |
169 |
44 |
11240 |
1636.1 |
-23.7 |
0.048 |
16 |
9 |
0 |
0.328 |
2 |
|
D |
153 |
43 |
11099 |
◊ |
B |
x,y,z |
1_555 |
151 |
42 |
11071 |
1525.2 |
-25.5 |
0.023 |
13 |
8 |
0 |
0.328 |
| Average: |
1580.7 |
-24.6 |
0.036 |
15 |
9 |
0 |
0.328 |
| 2 |
3 |
|
B |
83 |
26 |
11071 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
80 |
25 |
11166 |
774.7 |
-8.8 |
0.280 |
4 |
0 |
0 |
0.147 |
4 |
|
D |
85 |
26 |
11099 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
80 |
25 |
11240 |
737.4 |
-9.6 |
0.258 |
3 |
0 |
0 |
0.147 |
| Average: |
756.1 |
-9.2 |
0.269 |
4 |
0 |
0 |
0.147 |
| 3 |
5 |
|
D |
48 |
16 |
11099 |
◊ |
C |
x,y,z |
1_555 |
42 |
15 |
11166 |
419.7 |
0.5 |
0.843 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
29 |
9 |
11240 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
37 |
11 |
11166 |
300.1 |
0.2 |
0.786 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
39 |
13 |
11240 |
x |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
28 |
8 |
11166 |
296.5 |
-1.2 |
0.652 |
2 |
1 |
0 |
0.000 |
8 |
|
D |
42 |
12 |
11099 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
10 |
11099 |
292.2 |
-1.4 |
0.678 |
0 |
1 |
0 |
0.000 |
| Average: |
296.3 |
-0.8 |
0.705 |
1 |
1 |
0 |
0.000 |
| 5 |
9 |
|
B |
23 |
5 |
11071 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
22 |
5 |
11240 |
190.3 |
-3.7 |
0.207 |
0 |
0 |
0 |
0.031 |
10 |
|
D |
23 |
5 |
11099 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
22 |
5 |
11166 |
188.4 |
-3.8 |
0.198 |
0 |
0 |
0 |
0.031 |
| Average: |
189.4 |
-3.7 |
0.203 |
0 |
0 |
0 |
0.031 |
| 6 |
11 |
|
B |
18 |
7 |
11071 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
11240 |
128.6 |
1.1 |
0.823 |
0 |
1 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]C:300 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
11166 |
108.2 |
-15.9 |
0.804 |
5 |
0 |
0 |
0.483 |
13 |
|
[SO4]B:300 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
11071 |
105.6 |
-15.3 |
0.919 |
5 |
0 |
0 |
0.483 |
14 |
|
[SO4]D:300 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
11099 |
104.2 |
-15.3 |
0.907 |
5 |
0 |
0 |
0.483 |
15 |
|
[SO4]A:300 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
11240 |
101.1 |
-15.0 |
0.909 |
5 |
0 |
0 |
0.483 |
| Average: |
104.8 |
-15.4 |
0.885 |
5 |
0 |
0 |
0.483 |
| 8 |
16 |
|
B |
12 |
6 |
11071 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
11071 |
96.9 |
0.5 |
0.699 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
[SO4]D:305 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11099 |
82.3 |
-10.7 |
0.882 |
4 |
0 |
0 |
0.167 |
| 10 |
18 |
|
[SO4]C:305 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11166 |
77.9 |
-10.5 |
0.943 |
3 |
0 |
0 |
0.161 |
| 11 |
19 |
|
C |
8 |
2 |
11166 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11071 |
66.0 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
A |
6 |
3 |
11240 |
x |
A |
x-1,y,z |
1_455 |
8 |
4 |
11240 |
50.4 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
8 |
5 |
11099 |
x |
D |
x-1,y,z |
1_455 |
9 |
4 |
11099 |
49.6 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
6 |
2 |
11071 |
x |
B |
x-1,y,z |
1_455 |
5 |
2 |
11071 |
46.1 |
0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
23 |
|
C |
7 |
3 |
11166 |
x |
C |
x-1,y,z |
1_455 |
6 |
3 |
11166 |
42.2 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
| Average: |
47.1 |
0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[CL]B:287 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
11099 |
45.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.132 |
25 |
|
[CL]C:287 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11166 |
43.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.132 |
26 |
|
[CL]C:288 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11240 |
42.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.132 |
27 |
|
[CL]B:288 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11071 |
42.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
43.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.132 |
| 14 |
28 |
|
[CL]B:288 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
11099 |
45.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.094 |
29 |
|
[CL]C:288 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11166 |
43.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.094 |
30 |
|
[CL]C:287 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11240 |
42.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.094 |
31 |
|
[CL]B:287 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
11071 |
40.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
43.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.094 |
| 15 |
32 |
|
[CL]B:287 |
1 |
1 |
125 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
11240 |
27.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.087 |
33 |
|
D |
2 |
1 |
11099 |
◊ |
[CL]C:288 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
125 |
26.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.087 |
34 |
|
B |
2 |
1 |
11071 |
◊ |
[CL]C:287 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
125 |
26.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.087 |
35 |
|
[CL]B:288 |
1 |
1 |
125 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
11166 |
23.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.087 |
| Average: |
25.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.087 |
| 16 |
36 |
|
A |
3 |
1 |
11240 |
◊ |
[SO4]C:305 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
185 |
26.6 |
-1.8 |
0.980 |
1 |
0 |
0 |
0.000 |
| 17 |
37 |
|
D |
2 |
1 |
11099 |
◊ |
[SO4]D:305 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
186 |
22.3 |
-1.4 |
0.987 |
0 |
0 |
0 |
0.000 |
| 18 |
38 |
|
D |
1 |
1 |
11099 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11240 |
0.6 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
|