| ## |
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 |
|
D |
77 |
12 |
1694 |
◊ |
B |
x,y,z |
1_555 |
145 |
47 |
9253 |
1170.0 |
-14.7 |
0.450 |
29 |
0 |
0 |
0.539 |
2 |
|
C |
77 |
12 |
1694 |
◊ |
A |
x,y,z |
1_555 |
153 |
47 |
9146 |
1163.7 |
-14.0 |
0.487 |
29 |
1 |
0 |
0.539 |
| Average: |
1166.8 |
-14.3 |
0.468 |
29 |
1 |
0 |
0.539 |
| 2 |
3 |
|
[1RR]B:202 |
41 |
1 |
940 |
◊ |
B |
x,y,z |
1_555 |
60 |
20 |
9253 |
492.6 |
-0.9 |
0.661 |
8 |
0 |
0 |
0.007 |
4 |
|
[1RR]A:202 |
41 |
1 |
943 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
9146 |
492.3 |
-0.6 |
0.694 |
7 |
0 |
0 |
0.007 |
| Average: |
492.5 |
-0.8 |
0.678 |
8 |
0 |
0 |
0.007 |
| 3 |
5 |
|
A |
59 |
13 |
9146 |
◊ |
B |
-y+2,x-y+1,z-1/3 |
2_764 |
54 |
14 |
9253 |
486.1 |
-2.3 |
0.533 |
1 |
0 |
0 |
0.024 |
| 4 |
6 |
|
A |
38 |
10 |
9146 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
5_655 |
32 |
9 |
9253 |
325.3 |
-1.3 |
0.578 |
3 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
22 |
7 |
9253 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
5_765 |
18 |
7 |
9146 |
262.1 |
-7.9 |
0.004 |
0 |
0 |
0 |
0.088 |
| 6 |
8 |
|
B |
22 |
6 |
9253 |
◊ |
B |
y,x,-z+1 |
4_556 |
22 |
6 |
9253 |
225.9 |
-5.6 |
0.042 |
0 |
0 |
0 |
0.021 |
| 7 |
9 |
|
[1RR]B:202 |
22 |
1 |
940 |
f |
[1RR]A:202 |
x,y,z |
1_555 |
23 |
1 |
943 |
156.1 |
-4.8 |
0.486 |
0 |
0 |
0 |
0.100 |
| 8 |
10 |
|
B |
19 |
7 |
9253 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
9146 |
141.6 |
1.9 |
0.849 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[1RR]B:202 |
12 |
1 |
940 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
9146 |
102.4 |
-2.4 |
0.383 |
0 |
0 |
0 |
0.004 |
12 |
|
[1RR]A:202 |
9 |
1 |
943 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9253 |
95.0 |
-2.2 |
0.387 |
0 |
0 |
0 |
0.004 |
| Average: |
98.7 |
-2.3 |
0.385 |
0 |
0 |
0 |
0.004 |
| 10 |
13 |
|
B |
8 |
3 |
9253 |
◊ |
B |
-x+2,-x+y+1,-z+2/3 |
5_765 |
8 |
3 |
9253 |
85.9 |
-1.7 |
0.233 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9146 |
77.4 |
-11.6 |
0.537 |
1 |
0 |
0 |
0.241 |
| 12 |
15 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
B |
-y+2,x-y+1,z-1/3 |
2_764 |
10 |
6 |
9253 |
71.5 |
-10.9 |
0.538 |
2 |
0 |
0 |
0.101 |
| 13 |
16 |
|
A |
9 |
4 |
9146 |
f |
[SO4]B:203 |
-y+2,x-y+1,z-1/3 |
2_764 |
5 |
1 |
185 |
68.4 |
-9.7 |
0.577 |
3 |
0 |
0 |
0.221 |
| 14 |
17 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
9253 |
67.2 |
-7.3 |
0.747 |
0 |
0 |
0 |
0.084 |
| 15 |
18 |
|
[SO4]B:203 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9253 |
65.5 |
-7.1 |
0.965 |
4 |
0 |
0 |
0.076 |
| 16 |
19 |
|
B |
6 |
2 |
9253 |
◊ |
A |
y,x,-z+1 |
4_556 |
5 |
1 |
9146 |
63.5 |
0.7 |
0.798 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
A |
11 |
4 |
9146 |
◊ |
[SO4]D:301 |
-y+2,x-y+1,z-1/3 |
2_764 |
4 |
1 |
185 |
61.8 |
-6.6 |
0.753 |
0 |
0 |
0 |
0.057 |
| 18 |
21 |
|
[SO4]A:204 |
4 |
1 |
186 |
f |
B |
-y+2,x-y+1,z-1/3 |
2_764 |
5 |
3 |
9253 |
60.3 |
-8.1 |
0.697 |
2 |
0 |
0 |
0.104 |
| 19 |
22 |
|
[SO4]A:204 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
9146 |
54.6 |
-7.4 |
0.655 |
1 |
0 |
0 |
0.068 |
| 20 |
23 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
9253 |
48.9 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.451 |
| 21 |
24 |
|
C |
3 |
1 |
1694 |
◊ |
[SO4]D:301 |
-y+2,x-y+1,z-1/3 |
2_764 |
4 |
1 |
185 |
33.9 |
-2.9 |
0.975 |
3 |
0 |
0 |
0.023 |
| 22 |
25 |
|
[SO4]D:301 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1694 |
33.9 |
-2.9 |
0.979 |
2 |
0 |
0 |
0.043 |
| 23 |
26 |
|
[SO4]A:204 |
4 |
1 |
186 |
◊ |
A |
x-y+1,-y+2,-z+1/3 |
6_675 |
3 |
1 |
9146 |
28.6 |
-3.9 |
0.482 |
0 |
0 |
0 |
0.043 |
| 24 |
27 |
|
[SO4]B:203 |
4 |
1 |
185 |
◊ |
A |
y,x,-z+1 |
4_556 |
3 |
1 |
9146 |
27.1 |
-3.1 |
0.532 |
0 |
0 |
0 |
0.057 |
| 25 |
28 |
|
C |
3 |
1 |
1694 |
◊ |
B |
-y+2,x-y+1,z-1/3 |
2_764 |
4 |
1 |
9253 |
27.1 |
-0.1 |
0.520 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
4 |
1 |
9146 |
◊ |
D |
-y+2,x-y+1,z-1/3 |
2_764 |
3 |
1 |
1694 |
26.7 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
| Average: |
26.9 |
-0.1 |
0.528 |
0 |
0 |
0 |
0.001 |
| 26 |
30 |
|
A |
1 |
1 |
9146 |
◊ |
A |
x-y+1,-y+2,-z+1/3 |
6_675 |
1 |
1 |
9146 |
25.5 |
-0.8 |
0.077 |
0 |
0 |
0 |
0.003 |
|