| ## |
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 |
71 |
14 |
11080 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
68 |
17 |
11080 |
547.6 |
-16.7 |
0.848 |
2 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
52 |
6 |
11326 |
◊ |
A |
x,y,z |
1_555 |
52 |
6 |
11080 |
387.9 |
-12.4 |
0.819 |
6 |
0 |
0 |
0.120 |
| 3 |
3 |
|
[GNG]B:120 |
19 |
1 |
423 |
f |
B |
x,y,z |
1_555 |
45 |
12 |
11326 |
298.8 |
4.3 |
0.687 |
6 |
0 |
0 |
0.000 |
4 |
|
[GNG]A:120 |
19 |
1 |
413 |
f |
A |
x,y,z |
1_555 |
45 |
12 |
11080 |
292.6 |
4.1 |
0.663 |
6 |
0 |
0 |
0.000 |
| Average: |
295.7 |
4.2 |
0.675 |
6 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
33 |
9 |
11326 |
x |
B |
x-1,y,z |
1_455 |
32 |
7 |
11326 |
258.9 |
-9.0 |
0.709 |
0 |
0 |
0 |
0.000 |
6 |
|
A |
31 |
9 |
11080 |
x |
A |
x-1,y,z |
1_455 |
33 |
7 |
11080 |
255.8 |
-9.0 |
0.707 |
2 |
0 |
0 |
0.000 |
| Average: |
257.4 |
-9.0 |
0.708 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
30 |
7 |
11326 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
26 |
11 |
11326 |
235.4 |
-8.6 |
0.655 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[CCC]B:89 |
15 |
1 |
484 |
cf |
B |
x,y,z |
1_555 |
24 |
3 |
11326 |
158.9 |
2.0 |
0.757 |
3 |
0 |
0 |
0.000 |
9 |
|
[CCC]A:89 |
15 |
1 |
492 |
cf |
A |
x,y,z |
1_555 |
23 |
2 |
11080 |
140.9 |
1.6 |
0.713 |
1 |
0 |
0 |
0.000 |
| Average: |
149.9 |
1.8 |
0.735 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[GTP]A:22 |
17 |
1 |
595 |
cf |
A |
x,y,z |
1_555 |
21 |
2 |
11080 |
127.6 |
1.2 |
0.851 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
B |
17 |
7 |
11326 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
11326 |
122.4 |
-4.8 |
0.617 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[GTP]A:22 |
17 |
1 |
595 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
16 |
2 |
11326 |
110.8 |
0.0 |
0.804 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[GTP]A:22 |
13 |
1 |
595 |
◊ |
[CCC]B:89 |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
1 |
484 |
90.3 |
-0.2 |
0.522 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[SO4]A:213 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
11080 |
86.9 |
-12.5 |
0.898 |
4 |
0 |
0 |
0.114 |
| 12 |
15 |
|
A |
10 |
3 |
11080 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
8 |
3 |
11326 |
83.4 |
-3.2 |
0.502 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[SO4]A:216 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11080 |
80.2 |
-11.0 |
0.875 |
3 |
0 |
0 |
0.099 |
| 14 |
17 |
|
[CCC]A:89 |
11 |
1 |
492 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
2 |
11326 |
78.1 |
0.3 |
0.609 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
1 |
1 |
11080 |
◊ |
[CCC]B:89 |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
484 |
1.6 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| Average: |
39.9 |
0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[SO4]B:219 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11326 |
72.9 |
-9.6 |
0.905 |
2 |
0 |
0 |
0.084 |
| 16 |
20 |
|
[SO4]B:214 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
11326 |
71.7 |
-9.6 |
0.920 |
2 |
0 |
0 |
0.084 |
| 17 |
21 |
|
[SO4]A:211 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
11080 |
70.8 |
-9.4 |
0.912 |
2 |
0 |
0 |
0.082 |
| 18 |
22 |
|
A |
11 |
4 |
11080 |
◊ |
[CCC]B:89 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
484 |
69.7 |
-1.9 |
0.471 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[SO4]A:212 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11080 |
67.7 |
-9.2 |
0.937 |
3 |
0 |
0 |
0.084 |
| 20 |
24 |
|
[SIN]A:301 |
8 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
11080 |
65.5 |
0.8 |
0.322 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[SO4]B:217 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11326 |
63.2 |
-8.7 |
0.916 |
2 |
0 |
0 |
0.076 |
| 22 |
26 |
|
[MG]A:204 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11080 |
53.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.078 |
| 23 |
27 |
|
[CCC]A:89 |
4 |
1 |
492 |
f |
[GTP]A:22 |
x,y,z |
1_555 |
4 |
1 |
595 |
53.8 |
0.9 |
0.554 |
3 |
0 |
0 |
0.003 |
| 24 |
28 |
|
[MG]A:228 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11080 |
51.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.070 |
| 25 |
29 |
|
[MG]B:206 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
11326 |
49.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.056 |
| 26 |
30 |
|
[SO4]A:229 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11080 |
46.9 |
-4.6 |
0.955 |
3 |
0 |
0 |
0.048 |
| 27 |
31 |
|
[SO4]A:213 |
1 |
1 |
185 |
f |
[GNG]A:120 |
x,y,z |
1_555 |
1 |
1 |
413 |
12.8 |
-1.4 |
0.503 |
0 |
0 |
0 |
0.011 |
| 28 |
32 |
|
[SO4]A:216 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11326 |
12.2 |
-1.8 |
0.446 |
0 |
0 |
0 |
0.014 |
| 29 |
33 |
|
[SO4]B:219 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11080 |
12.1 |
-2.0 |
0.445 |
0 |
0 |
0 |
0.016 |
| 30 |
34 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
11080 |
8.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 31 |
35 |
|
[SIN]A:301 |
1 |
1 |
253 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 32 |
36 |
|
A |
2 |
1 |
11080 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
11326 |
3.7 |
-0.4 |
0.320 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[SO4]A:211 |
1 |
1 |
185 |
f |
[GTP]A:22 |
x,y,z |
1_555 |
1 |
1 |
595 |
1.7 |
-0.2 |
0.622 |
0 |
0 |
0 |
0.002 |
|