| ## |
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 |
247 |
43 |
5438 |
◊ |
B |
x,y,z |
1_555 |
357 |
88 |
11363 |
2984.6 |
-31.6 |
0.410 |
63 |
6 |
0 |
0.536 |
2 |
|
C |
247 |
42 |
5424 |
◊ |
A |
x,y,z |
1_555 |
339 |
86 |
11145 |
2902.8 |
-33.2 |
0.391 |
57 |
5 |
0 |
0.536 |
| Average: |
2943.7 |
-32.4 |
0.401 |
60 |
6 |
0 |
0.536 |
| 2 |
3 |
|
A |
80 |
24 |
11145 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
81 |
24 |
11145 |
692.1 |
5.0 |
0.953 |
10 |
0 |
0 |
0.000 |
4 |
|
B |
67 |
21 |
11363 |
◊ |
B |
x,-y-1,-z |
4_545 |
67 |
21 |
11363 |
629.3 |
3.8 |
0.903 |
12 |
2 |
0 |
0.000 |
| Average: |
660.7 |
4.4 |
0.928 |
11 |
1 |
0 |
0.000 |
| 3 |
5 |
|
B |
55 |
16 |
11363 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
58 |
18 |
11145 |
573.3 |
-6.0 |
0.298 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
51 |
17 |
11363 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
11145 |
516.7 |
-7.9 |
0.161 |
2 |
0 |
0 |
0.000 |
| Average: |
545.0 |
-6.9 |
0.229 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[RJN]B:2117 |
29 |
1 |
643 |
f |
B |
x,y,z |
1_555 |
60 |
19 |
11363 |
393.4 |
-7.3 |
0.467 |
4 |
0 |
0 |
0.084 |
8 |
|
[RJN]A:2116 |
29 |
1 |
643 |
f |
A |
x,y,z |
1_555 |
57 |
19 |
11145 |
393.3 |
-7.5 |
0.438 |
4 |
0 |
0 |
0.084 |
| Average: |
393.3 |
-7.4 |
0.452 |
4 |
0 |
0 |
0.084 |
| 5 |
9 |
|
D |
26 |
10 |
5438 |
◊ |
D |
x,-y-1,-z |
4_545 |
26 |
10 |
5438 |
303.1 |
-0.9 |
0.786 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
25 |
10 |
5424 |
◊ |
C |
-x-1,y,-z+1/2 |
3_455 |
25 |
10 |
5424 |
290.9 |
1.7 |
0.917 |
2 |
0 |
0 |
0.000 |
| Average: |
297.0 |
0.4 |
0.851 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
16 |
7 |
5424 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
19 |
6 |
11145 |
159.9 |
-2.2 |
0.391 |
0 |
0 |
0 |
0.000 |
12 |
|
D |
14 |
7 |
5438 |
◊ |
B |
x,-y-1,-z |
4_545 |
15 |
6 |
11363 |
142.5 |
-1.8 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
151.2 |
-2.0 |
0.382 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[SO4]B:2114 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11363 |
117.8 |
-17.8 |
0.703 |
7 |
0 |
0 |
0.185 |
| 8 |
14 |
|
[SO4]A:2113 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11145 |
101.3 |
-15.5 |
0.832 |
7 |
0 |
0 |
0.168 |
| 9 |
15 |
|
A |
10 |
4 |
11145 |
◊ |
A |
x,-y,-z |
4_555 |
10 |
4 |
11145 |
91.3 |
0.9 |
0.797 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
B |
11 |
5 |
11363 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
5 |
3 |
5424 |
87.0 |
-1.1 |
0.398 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
5 |
3 |
5438 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11145 |
57.9 |
-1.3 |
0.341 |
0 |
0 |
0 |
0.000 |
| Average: |
72.5 |
-1.2 |
0.369 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[SO4]B:2115 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11363 |
77.0 |
-8.9 |
0.911 |
3 |
0 |
0 |
0.091 |
| 12 |
19 |
|
[SO4]A:2114 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
11145 |
71.4 |
-10.2 |
0.840 |
2 |
0 |
0 |
0.100 |
| 13 |
20 |
|
[SO4]A:2114 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
5424 |
68.1 |
-9.6 |
0.765 |
1 |
0 |
0 |
0.091 |
| 14 |
21 |
|
[SO4]B:2115 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
5438 |
65.9 |
-9.4 |
0.793 |
2 |
0 |
0 |
0.100 |
| 15 |
22 |
|
C |
4 |
1 |
5424 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
6 |
2 |
11363 |
58.0 |
-1.7 |
0.219 |
0 |
0 |
0 |
0.000 |
23 |
|
D |
3 |
1 |
5438 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
6 |
2 |
11145 |
53.8 |
-1.7 |
0.179 |
0 |
0 |
0 |
0.000 |
| Average: |
55.9 |
-1.7 |
0.199 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
B |
7 |
2 |
11363 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
7 |
2 |
11363 |
55.7 |
-0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
C |
2 |
1 |
5424 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11363 |
40.7 |
-0.5 |
0.321 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
2 |
1 |
5438 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
11145 |
39.1 |
-0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
| Average: |
39.9 |
-0.6 |
0.322 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[RJN]A:2116 |
2 |
1 |
643 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5424 |
38.3 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
28 |
|
[RJN]B:2117 |
2 |
1 |
643 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
5438 |
38.0 |
0.2 |
0.792 |
0 |
0 |
0 |
0.000 |
| Average: |
38.2 |
0.2 |
0.781 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
B |
3 |
2 |
11363 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
3 |
1 |
11145 |
38.0 |
0.8 |
0.857 |
1 |
2 |
0 |
0.000 |
30 |
|
B |
3 |
1 |
11363 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
2 |
11145 |
34.0 |
0.4 |
0.760 |
0 |
1 |
0 |
0.000 |
| Average: |
36.0 |
0.6 |
0.809 |
1 |
2 |
0 |
0.000 |
| 20 |
31 |
|
[SO4]A:2113 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
5424 |
19.8 |
-2.3 |
0.831 |
0 |
0 |
0 |
0.021 |
| 21 |
32 |
|
[SO4]B:2114 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5438 |
18.6 |
-2.2 |
0.837 |
0 |
0 |
0 |
0.020 |
| 22 |
33 |
|
[RJN]B:2117 |
2 |
1 |
643 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
3 |
1 |
11363 |
9.3 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[SO4]A:2113 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11363 |
8.5 |
-0.9 |
0.804 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[SO4]B:2114 |
1 |
1 |
186 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
11145 |
7.7 |
-0.9 |
0.803 |
0 |
0 |
0 |
0.000 |
|