## |
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 |
|
B |
358 |
97 |
20320 |
◊ |
A |
x,y,z |
1_555 |
369 |
96 |
20652 |
3648.5 |
-50.4 |
0.022 |
40 |
5 |
0 |
0.342 |
2 |
2 |
|
D |
162 |
25 |
12728 |
◊ |
B |
x,y,z |
1_555 |
142 |
43 |
20320 |
1371.9 |
-26.3 |
0.476 |
24 |
0 |
0 |
0.410 |
3 |
|
C |
161 |
25 |
12758 |
◊ |
A |
x,y,z |
1_555 |
138 |
41 |
20652 |
1371.9 |
-26.9 |
0.418 |
20 |
0 |
0 |
0.410 |
Average: |
1371.9 |
-26.6 |
0.447 |
22 |
0 |
0 |
0.410 |
3 |
4 |
|
D |
70 |
13 |
12728 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
20652 |
525.6 |
-5.7 |
0.900 |
12 |
0 |
0 |
0.079 |
5 |
|
C |
66 |
13 |
12758 |
◊ |
B |
x,y,z |
1_555 |
51 |
19 |
20320 |
523.5 |
-7.0 |
0.873 |
12 |
0 |
0 |
0.079 |
Average: |
524.6 |
-6.4 |
0.887 |
12 |
0 |
0 |
0.079 |
4 |
6 |
|
[TSB]A:502 |
30 |
1 |
613 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
20652 |
423.4 |
3.6 |
0.577 |
20 |
0 |
0 |
0.046 |
7 |
|
[TSB]B:502 |
30 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
63 |
25 |
20320 |
422.6 |
3.6 |
0.591 |
17 |
0 |
0 |
0.046 |
Average: |
423.0 |
3.6 |
0.584 |
19 |
0 |
0 |
0.046 |
5 |
8 |
|
B |
31 |
10 |
20320 |
◊ |
A |
x,y-1,z |
1_545 |
32 |
11 |
20652 |
300.1 |
0.2 |
0.771 |
4 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
41 |
7 |
12758 |
◊ |
A |
x,y-1,z |
1_545 |
34 |
7 |
20652 |
299.7 |
-4.5 |
0.768 |
3 |
0 |
0 |
0.000 |
10 |
|
B |
33 |
7 |
20320 |
◊ |
D |
x,y-1,z |
1_545 |
40 |
7 |
12728 |
294.8 |
-4.1 |
0.803 |
3 |
0 |
0 |
0.000 |
Average: |
297.2 |
-4.3 |
0.786 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
41 |
7 |
12728 |
◊ |
C |
x-1,y+1,z |
1_465 |
42 |
5 |
12758 |
259.0 |
-4.1 |
0.925 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
24 |
9 |
20652 |
◊ |
D |
x,y-1,z+1 |
1_546 |
30 |
8 |
12728 |
255.4 |
-5.9 |
0.598 |
3 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
22 |
8 |
20320 |
◊ |
C |
x-1,y,z+1 |
1_456 |
22 |
7 |
12758 |
213.8 |
-3.0 |
0.713 |
5 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
20 |
8 |
20320 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
4 |
12758 |
191.6 |
-5.0 |
0.394 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
10 |
5 |
20320 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
20652 |
91.4 |
-0.3 |
0.611 |
1 |
2 |
0 |
0.000 |
12 |
16 |
|
D |
12 |
4 |
12728 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
3 |
12758 |
86.1 |
-2.8 |
0.642 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]A:505 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
20652 |
86.0 |
-11.6 |
0.891 |
3 |
0 |
0 |
0.112 |
14 |
18 |
|
[SO4]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20652 |
71.2 |
-10.3 |
0.659 |
3 |
0 |
0 |
0.101 |
15 |
19 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20320 |
69.5 |
-8.6 |
0.908 |
2 |
0 |
0 |
0.106 |
16 |
20 |
|
[SO4]A:503 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20652 |
64.1 |
-8.7 |
0.877 |
3 |
0 |
0 |
0.087 |
17 |
21 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20320 |
35.0 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.286 |
22 |
|
[ZN]A:501 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
10 |
7 |
20652 |
34.9 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.286 |
Average: |
34.9 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.286 |
18 |
23 |
|
[TSB]A:502 |
3 |
1 |
613 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.154 |
24 |
|
[TSB]B:502 |
3 |
1 |
609 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
32.0 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.154 |
19 |
25 |
|
B |
1 |
1 |
20320 |
◊ |
[SO4]A:504 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
11.0 |
-1.2 |
0.817 |
0 |
0 |
0 |
0.000 |
|