| ## |
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 |
78 |
19 |
11229 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
71 |
19 |
11315 |
686.5 |
-3.6 |
0.424 |
9 |
3 |
0 |
0.000 |
| 2 |
2 |
|
B |
53 |
18 |
11315 |
◊ |
A |
x,y,z |
1_555 |
48 |
17 |
11229 |
476.7 |
-1.6 |
0.498 |
9 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
39 |
9 |
11315 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
47 |
15 |
11229 |
404.0 |
-2.7 |
0.378 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[949]A:302 |
24 |
1 |
550 |
f |
A |
x,y,z |
1_555 |
43 |
23 |
11229 |
300.9 |
-0.7 |
0.083 |
4 |
0 |
0 |
0.007 |
5 |
|
[949]B:303 |
23 |
1 |
550 |
f |
B |
x,y,z |
1_555 |
41 |
22 |
11315 |
293.8 |
-0.5 |
0.104 |
4 |
0 |
0 |
0.007 |
| Average: |
297.4 |
-0.6 |
0.093 |
4 |
0 |
0 |
0.007 |
| 5 |
6 |
|
[949]A:303 |
15 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
11229 |
195.0 |
1.7 |
0.402 |
3 |
0 |
0 |
0.000 |
7 |
|
[949]B:304 |
17 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
11315 |
194.9 |
2.8 |
0.468 |
4 |
0 |
0 |
0.000 |
| Average: |
195.0 |
2.2 |
0.435 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[949]A:304 |
21 |
1 |
546 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
11229 |
179.5 |
0.7 |
0.205 |
3 |
0 |
0 |
0.002 |
| 7 |
9 |
|
[949]B:305 |
18 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
11315 |
179.4 |
1.5 |
0.289 |
4 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[949]B:305 |
17 |
1 |
549 |
◊ |
[949]A:303 |
x,y,z |
1_555 |
16 |
1 |
547 |
108.1 |
4.5 |
0.266 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[949]B:304 |
15 |
1 |
549 |
◊ |
[949]A:304 |
x,y,z |
1_555 |
20 |
1 |
546 |
99.3 |
4.0 |
0.232 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[949]A:303 |
13 |
1 |
547 |
f |
[949]A:302 |
x,y,z |
1_555 |
14 |
1 |
550 |
91.8 |
1.0 |
0.133 |
0 |
0 |
0 |
0.000 |
13 |
|
[949]B:304 |
12 |
1 |
549 |
f |
[949]B:303 |
x,y,z |
1_555 |
15 |
1 |
550 |
86.7 |
1.0 |
0.130 |
0 |
0 |
0 |
0.000 |
| Average: |
89.3 |
1.0 |
0.131 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[949]B:305 |
12 |
1 |
549 |
f |
[949]B:304 |
x,y,z |
1_555 |
10 |
1 |
549 |
89.9 |
2.3 |
0.267 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
10 |
5 |
11229 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
11315 |
88.6 |
-0.4 |
0.521 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
A |
5 |
2 |
11229 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
6 |
11229 |
86.0 |
1.7 |
0.811 |
4 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[949]B:305 |
13 |
1 |
549 |
f |
[949]B:303 |
x,y,z |
1_555 |
7 |
1 |
550 |
79.7 |
3.1 |
0.356 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[949]A:304 |
8 |
1 |
546 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11315 |
74.4 |
0.0 |
0.310 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[949]A:304 |
10 |
1 |
546 |
f |
[949]A:302 |
x,y,z |
1_555 |
7 |
1 |
550 |
70.0 |
3.6 |
0.466 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[949]A:304 |
7 |
1 |
546 |
f |
[949]A:303 |
x,y,z |
1_555 |
7 |
1 |
547 |
66.5 |
2.3 |
0.350 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11315 |
45.7 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.041 |
| 19 |
22 |
|
[949]B:305 |
3 |
1 |
549 |
◊ |
[949]A:304 |
x,y,z |
1_555 |
4 |
1 |
546 |
40.3 |
1.9 |
0.547 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
5 |
4 |
11315 |
x |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
6 |
2 |
11315 |
39.9 |
-0.5 |
0.395 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
11315 |
36.3 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.076 |
25 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
11229 |
36.0 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
36.2 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.076 |
| 22 |
26 |
|
A |
6 |
3 |
11229 |
x |
A |
x-1,y,z |
1_455 |
3 |
3 |
11229 |
30.5 |
0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[949]A:303 |
6 |
1 |
547 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11315 |
28.9 |
0.4 |
0.104 |
0 |
0 |
0 |
0.000 |
28 |
|
[949]B:304 |
7 |
1 |
549 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11229 |
28.0 |
0.4 |
0.090 |
0 |
0 |
0 |
0.000 |
| Average: |
28.5 |
0.4 |
0.097 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[949]B:303 |
4 |
1 |
550 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.8 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.036 |
30 |
|
[949]A:302 |
3 |
1 |
550 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
28.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 25 |
31 |
|
[949]B:304 |
1 |
1 |
549 |
◊ |
[949]A:303 |
x,y,z |
1_555 |
2 |
1 |
547 |
19.5 |
1.3 |
0.697 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[949]B:305 |
1 |
1 |
549 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11229 |
18.6 |
0.3 |
0.548 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
B |
2 |
2 |
11315 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
11315 |
16.4 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
B |
2 |
2 |
11315 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
11229 |
5.5 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[949]B:305 |
1 |
1 |
549 |
◊ |
[949]A:302 |
x,y,z |
1_555 |
1 |
1 |
550 |
1.6 |
0.1 |
0.428 |
0 |
0 |
0 |
0.000 |
|