| ## |
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 |
126 |
35 |
13248 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
129 |
36 |
13054 |
1120.8 |
-7.5 |
0.337 |
7 |
0 |
0 |
0.113 |
| 2 |
2 |
|
B |
95 |
28 |
13248 |
◊ |
A |
x,y,z |
1_555 |
95 |
28 |
13054 |
900.5 |
-9.4 |
0.164 |
8 |
4 |
0 |
0.144 |
| 3 |
3 |
|
[7E5]B:301 |
17 |
1 |
420 |
f |
B |
x,y,z |
1_555 |
47 |
16 |
13248 |
300.3 |
4.0 |
0.455 |
8 |
0 |
0 |
0.000 |
4 |
|
[7E5]A:301 |
18 |
1 |
413 |
f |
A |
x,y,z |
1_555 |
45 |
16 |
13054 |
297.8 |
3.9 |
0.447 |
5 |
0 |
0 |
0.000 |
| Average: |
299.0 |
4.0 |
0.451 |
7 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
28 |
8 |
13248 |
◊ |
A |
y-1,x,-z |
7_455 |
24 |
6 |
13054 |
205.9 |
-0.2 |
0.485 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
26 |
10 |
13054 |
◊ |
B |
y-1,x,-z |
7_455 |
20 |
6 |
13248 |
201.6 |
-1.1 |
0.490 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
24 |
6 |
13054 |
x |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
22 |
5 |
13054 |
199.6 |
0.1 |
0.504 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13054 |
80.4 |
-10.4 |
0.869 |
2 |
0 |
0 |
0.120 |
| 8 |
9 |
|
B |
9 |
3 |
13248 |
◊ |
A |
y-1,x+1,-z |
7_465 |
8 |
2 |
13054 |
77.5 |
0.8 |
0.758 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13054 |
77.2 |
-9.2 |
0.867 |
2 |
0 |
0 |
0.107 |
| 10 |
11 |
|
[SO4]B:302 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
13248 |
72.9 |
-8.7 |
0.870 |
2 |
0 |
0 |
0.102 |
| 11 |
12 |
|
[SO4]B:303 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13248 |
72.0 |
-7.6 |
0.917 |
3 |
0 |
0 |
0.095 |
| 12 |
13 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13054 |
71.6 |
-8.5 |
0.891 |
2 |
0 |
0 |
0.100 |
| 13 |
14 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13248 |
69.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.190 |
15 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13054 |
68.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
69.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.190 |
| 14 |
16 |
|
B |
8 |
3 |
13248 |
◊ |
A |
y,x,-z |
7_555 |
4 |
2 |
13054 |
51.0 |
-0.7 |
0.273 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[SO4]B:303 |
4 |
1 |
184 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
8 |
4 |
13054 |
49.5 |
-6.7 |
0.594 |
1 |
0 |
0 |
0.076 |
| 16 |
18 |
|
B |
8 |
4 |
13248 |
◊ |
[SO4]A:303 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
3 |
1 |
186 |
45.9 |
-5.9 |
0.807 |
0 |
0 |
0 |
0.062 |
| 17 |
19 |
|
[SO4]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13248 |
45.2 |
-3.9 |
0.962 |
4 |
0 |
0 |
0.061 |
| 18 |
20 |
|
[SO4]B:304 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13054 |
30.9 |
-3.9 |
0.751 |
0 |
0 |
0 |
0.041 |
| 19 |
21 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13248 |
29.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.064 |
22 |
|
[CL]B:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13054 |
24.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
26.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.064 |
| 20 |
23 |
|
B |
2 |
1 |
13248 |
x |
B |
y-1,x,-z |
7_455 |
4 |
2 |
13248 |
16.6 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[SO4]A:304 |
1 |
1 |
185 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
13248 |
1.4 |
-0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
|