| ## |
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 |
|
A |
112 |
29 |
7553 |
x |
A |
-y,x-y,z |
2_555 |
125 |
35 |
7553 |
1193.9 |
-16.3 |
0.082 |
14 |
9 |
0 |
0.329 |
2 |
|
B |
127 |
35 |
7508 |
x |
B |
-y+1,x-y,z |
2_655 |
114 |
30 |
7508 |
1187.4 |
-16.1 |
0.082 |
14 |
7 |
0 |
0.329 |
| Average: |
1190.7 |
-16.2 |
0.082 |
14 |
8 |
0 |
0.329 |
| 2 |
3 |
|
B |
64 |
20 |
7508 |
◊ |
A |
x,y,z |
1_555 |
61 |
21 |
7553 |
604.6 |
1.9 |
0.851 |
8 |
9 |
0 |
0.000 |
| 3 |
4 |
|
B |
25 |
7 |
7508 |
◊ |
A |
-y+1,x-y+1,z+1 |
2_666 |
24 |
7 |
7553 |
225.3 |
-3.7 |
0.254 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
9 |
5 |
7553 |
◊ |
B |
-y+1,x-y,z |
2_655 |
15 |
7 |
7508 |
126.2 |
-1.3 |
0.381 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
15 |
7 |
7553 |
◊ |
B |
-y,x-y,z |
2_555 |
11 |
5 |
7508 |
125.2 |
-1.3 |
0.396 |
1 |
0 |
0 |
0.000 |
| Average: |
125.7 |
-1.3 |
0.389 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[SO4]B:503 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
7508 |
105.7 |
-15.1 |
0.902 |
5 |
0 |
0 |
0.243 |
| 6 |
8 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
7553 |
104.4 |
-15.5 |
0.885 |
5 |
0 |
0 |
0.241 |
| 7 |
9 |
|
B |
10 |
3 |
7508 |
x |
B |
-y+1,x-y,z-1 |
2_654 |
11 |
3 |
7508 |
100.3 |
-1.2 |
0.382 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
10 |
3 |
7553 |
x |
A |
-y,x-y,z-1 |
2_554 |
10 |
3 |
7553 |
96.3 |
-1.5 |
0.318 |
0 |
0 |
0 |
0.000 |
| Average: |
98.3 |
-1.3 |
0.350 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[SO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
7553 |
82.6 |
-11.9 |
0.885 |
7 |
0 |
0 |
0.206 |
| 9 |
12 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
7508 |
82.0 |
-11.9 |
0.893 |
7 |
0 |
0 |
0.211 |
| 10 |
13 |
|
[SO4]A:506 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
7553 |
81.9 |
-10.5 |
0.872 |
3 |
0 |
0 |
0.161 |
| 11 |
14 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
7508 |
75.6 |
-9.3 |
0.893 |
3 |
0 |
0 |
0.149 |
| 12 |
15 |
|
[SO4]A:501 |
4 |
1 |
187 |
◊ |
A |
-y,x-y,z |
2_555 |
7 |
3 |
7553 |
40.2 |
-4.9 |
0.596 |
0 |
0 |
0 |
0.066 |
| 13 |
16 |
|
B |
6 |
2 |
7508 |
◊ |
[SO4]B:504 |
-y+1,x-y,z |
2_655 |
4 |
1 |
187 |
38.5 |
-4.9 |
0.565 |
0 |
0 |
0 |
0.068 |
| 14 |
17 |
|
A |
3 |
1 |
7553 |
◊ |
[SO4]B:504 |
-y+1,x-y,z |
2_655 |
4 |
1 |
187 |
36.1 |
-3.2 |
0.968 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[SO4]A:501 |
4 |
1 |
187 |
◊ |
B |
-y,x-y,z |
2_555 |
2 |
1 |
7508 |
36.0 |
-3.1 |
0.978 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
B |
3 |
1 |
7508 |
x |
B |
x,y,z-1 |
1_554 |
2 |
1 |
7508 |
11.4 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
3 |
1 |
7553 |
x |
A |
x,y,z-1 |
1_554 |
2 |
1 |
7553 |
7.4 |
-0.2 |
0.506 |
0 |
0 |
0 |
0.000 |
| Average: |
9.4 |
-0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
A |
2 |
2 |
7553 |
◊ |
B |
-y+1,x-y,z-1 |
2_654 |
2 |
2 |
7508 |
2.0 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
1 |
1 |
7553 |
◊ |
B |
-y,x-y,z-1 |
2_554 |
1 |
1 |
7508 |
1.7 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
| Average: |
1.9 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|