| ## |
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 |
91 |
23 |
6492 |
◊ |
C |
x,y,z |
1_555 |
87 |
25 |
7027 |
870.8 |
-12.2 |
0.126 |
17 |
0 |
0 |
0.590 |
2 |
|
B |
89 |
23 |
6880 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
6459 |
861.0 |
-12.2 |
0.114 |
16 |
0 |
0 |
0.590 |
| Average: |
865.9 |
-12.2 |
0.120 |
17 |
0 |
0 |
0.590 |
| 2 |
3 |
|
E |
45 |
15 |
9604 |
x |
E |
-y,x,z+1/4 |
3_555 |
44 |
12 |
9604 |
476.0 |
-5.7 |
0.142 |
7 |
1 |
0 |
0.000 |
4 |
|
F |
43 |
12 |
9612 |
x |
F |
-y,x-1,z+1/4 |
3_545 |
47 |
15 |
9612 |
466.1 |
-5.7 |
0.128 |
7 |
1 |
0 |
0.000 |
| Average: |
471.0 |
-5.7 |
0.135 |
7 |
1 |
0 |
0.000 |
| 3 |
5 |
|
D |
35 |
17 |
6492 |
◊ |
B |
x,y,z |
1_555 |
38 |
18 |
6880 |
428.6 |
-5.3 |
0.197 |
2 |
0 |
0 |
0.129 |
6 |
|
C |
33 |
15 |
7027 |
◊ |
A |
x,y,z |
1_555 |
35 |
16 |
6459 |
332.5 |
-6.5 |
0.115 |
2 |
0 |
0 |
0.129 |
| Average: |
380.6 |
-5.9 |
0.156 |
2 |
0 |
0 |
0.129 |
| 4 |
7 |
|
E |
43 |
12 |
9604 |
◊ |
D |
x,y,z |
1_555 |
41 |
12 |
6492 |
386.9 |
-3.0 |
0.392 |
5 |
0 |
0 |
0.000 |
8 |
|
F |
46 |
13 |
9612 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
6880 |
377.3 |
-3.1 |
0.363 |
4 |
0 |
0 |
0.000 |
| Average: |
382.1 |
-3.1 |
0.377 |
5 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[OLA]E:1177 |
20 |
1 |
529 |
f |
E |
x,y,z |
1_555 |
57 |
23 |
9604 |
379.1 |
1.5 |
0.256 |
2 |
0 |
0 |
0.000 |
10 |
|
[OLA]F:1177 |
20 |
1 |
528 |
f |
F |
x,y,z |
1_555 |
59 |
24 |
9612 |
378.8 |
1.4 |
0.256 |
3 |
0 |
0 |
0.000 |
| Average: |
378.9 |
1.4 |
0.256 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
37 |
11 |
7027 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
6880 |
315.5 |
-5.3 |
0.169 |
4 |
0 |
0 |
0.120 |
12 |
|
D |
35 |
10 |
6492 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
6459 |
308.8 |
-5.1 |
0.180 |
4 |
0 |
0 |
0.120 |
| Average: |
312.1 |
-5.2 |
0.175 |
4 |
0 |
0 |
0.120 |
| 7 |
13 |
|
F |
28 |
8 |
9612 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
6459 |
286.8 |
1.5 |
0.771 |
6 |
3 |
0 |
0.000 |
14 |
|
E |
28 |
9 |
9604 |
◊ |
C |
x,y,z |
1_555 |
31 |
9 |
7027 |
267.3 |
0.6 |
0.621 |
4 |
2 |
0 |
0.000 |
| Average: |
277.1 |
1.1 |
0.696 |
5 |
3 |
0 |
0.000 |
| 8 |
15 |
|
F |
25 |
6 |
9612 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
7027 |
195.4 |
-3.7 |
0.172 |
1 |
0 |
0 |
0.000 |
16 |
|
E |
25 |
6 |
9604 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
6459 |
194.0 |
-3.2 |
0.205 |
1 |
0 |
0 |
0.000 |
| Average: |
194.7 |
-3.4 |
0.188 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
[SO4]E:1179 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
9604 |
111.3 |
-15.2 |
0.856 |
3 |
0 |
0 |
0.214 |
| 10 |
18 |
|
[SO4]F:1180 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
9612 |
99.9 |
-12.7 |
0.907 |
2 |
0 |
0 |
0.028 |
| 11 |
19 |
|
[SO4]A:1125 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6459 |
85.4 |
-11.7 |
0.833 |
4 |
0 |
0 |
0.410 |
| 12 |
20 |
|
[SO4]C:1126 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
7027 |
84.4 |
-11.5 |
0.852 |
3 |
0 |
0 |
0.269 |
| 13 |
21 |
|
[SO4]F:1179 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
9612 |
76.4 |
-10.5 |
0.780 |
1 |
0 |
0 |
0.022 |
| 14 |
22 |
|
[SO4]E:1178 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
9604 |
75.4 |
-10.4 |
0.766 |
1 |
0 |
0 |
0.141 |
| 15 |
23 |
|
E |
12 |
6 |
9604 |
◊ |
[SO4]C:1125 |
-y,x,z+1/4 |
3_555 |
5 |
1 |
184 |
75.1 |
-9.2 |
0.889 |
1 |
0 |
0 |
0.125 |
| 16 |
24 |
|
[SO4]F:1178 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
9612 |
72.7 |
-8.6 |
0.908 |
2 |
0 |
0 |
0.020 |
| 17 |
25 |
|
[SO4]F:1181 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
9612 |
72.6 |
-8.9 |
0.968 |
2 |
0 |
0 |
0.020 |
| 18 |
26 |
|
[SO4]A:1126 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
7027 |
70.0 |
-9.4 |
0.675 |
1 |
0 |
0 |
0.206 |
| 19 |
27 |
|
A |
9 |
3 |
6459 |
◊ |
F |
-y,x-1,z+1/4 |
3_545 |
8 |
2 |
9612 |
69.4 |
1.3 |
0.803 |
0 |
1 |
0 |
0.000 |
28 |
|
E |
8 |
2 |
9604 |
◊ |
C |
-y,x,z+1/4 |
3_555 |
9 |
3 |
7027 |
64.6 |
0.8 |
0.732 |
0 |
1 |
0 |
0.000 |
| Average: |
67.0 |
1.0 |
0.767 |
0 |
1 |
0 |
0.000 |
| 20 |
29 |
|
[SO4]E:1180 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
9604 |
68.8 |
-9.6 |
0.691 |
3 |
0 |
0 |
0.142 |
| 21 |
30 |
|
[SO4]A:1126 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
6459 |
59.8 |
-8.1 |
0.502 |
0 |
0 |
0 |
0.143 |
| 22 |
31 |
|
E |
6 |
2 |
9604 |
◊ |
[SO4]E:1178 |
-y,x,z+1/4 |
3_555 |
4 |
1 |
186 |
47.7 |
-5.4 |
0.916 |
2 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[SO4]F:1179 |
4 |
1 |
186 |
◊ |
F |
-y,x-1,z+1/4 |
3_545 |
6 |
2 |
9612 |
46.5 |
-5.0 |
0.916 |
2 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[SO4]C:1125 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
7027 |
40.7 |
-5.3 |
0.688 |
0 |
0 |
0 |
0.111 |
| 25 |
34 |
|
A |
6 |
2 |
6459 |
◊ |
[SO4]F:1178 |
-y,x-1,z+1/4 |
3_545 |
4 |
1 |
185 |
39.3 |
-5.3 |
0.669 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
B |
2 |
2 |
6880 |
◊ |
F |
-y,x-1,z+1/4 |
3_545 |
3 |
2 |
9612 |
17.3 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
36 |
|
E |
4 |
2 |
9604 |
◊ |
D |
-y,x,z+1/4 |
3_555 |
2 |
2 |
6492 |
15.5 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
| Average: |
16.4 |
0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[SO4]F:1180 |
1 |
1 |
186 |
f |
[SO4]F:1178 |
x,y,z |
1_555 |
3 |
1 |
185 |
12.1 |
-2.7 |
0.891 |
0 |
0 |
0 |
0.006 |
| 28 |
38 |
|
[SO4]E:1179 |
1 |
1 |
185 |
◊ |
[SO4]C:1125 |
-y,x,z+1/4 |
3_555 |
3 |
1 |
184 |
9.9 |
-2.3 |
0.891 |
0 |
0 |
0 |
0.029 |
| 29 |
39 |
|
[SO4]F:1181 |
1 |
1 |
187 |
f |
[SO4]F:1180 |
x,y,z |
1_555 |
3 |
1 |
186 |
9.7 |
-2.2 |
0.891 |
0 |
0 |
0 |
0.005 |
|