| ## |
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 |
61 |
19 |
20044 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
66 |
19 |
20090 |
575.5 |
-4.5 |
0.246 |
2 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
57 |
17 |
20044 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
54 |
18 |
20090 |
541.1 |
-5.7 |
0.035 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
47 |
16 |
20090 |
◊ |
A |
-x+2,-y,z |
2_755 |
58 |
17 |
20044 |
445.5 |
0.3 |
0.691 |
4 |
10 |
0 |
0.013 |
| 4 |
4 |
|
B |
51 |
14 |
20090 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
20044 |
435.7 |
-3.4 |
0.454 |
0 |
1 |
0 |
0.015 |
| 5 |
5 |
|
[NAG]A:572 |
10 |
1 |
345 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
20044 |
146.5 |
4.5 |
0.342 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[NAG]A:575 |
11 |
1 |
349 |
cf |
A |
x,y,z |
1_555 |
27 |
11 |
20044 |
144.4 |
3.9 |
0.235 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[NAG]B:575 |
11 |
1 |
346 |
cf |
B |
x,y,z |
1_555 |
25 |
10 |
20090 |
143.6 |
3.9 |
0.215 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NAG]B:572 |
12 |
1 |
348 |
cf |
B |
x,y,z |
1_555 |
20 |
7 |
20090 |
133.3 |
4.1 |
0.166 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[NAG]A:574 |
10 |
1 |
351 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
20044 |
126.5 |
3.3 |
0.226 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[NAG]B:574 |
9 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
15 |
7 |
20090 |
123.5 |
3.4 |
0.272 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NAG]A:573 |
12 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
20044 |
122.5 |
3.3 |
0.132 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[NAG]B:573 |
11 |
1 |
354 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
20090 |
120.1 |
3.4 |
0.187 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[SO4]B:582 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
20090 |
84.6 |
-8.9 |
0.975 |
4 |
0 |
0 |
0.064 |
| 14 |
14 |
|
B |
8 |
3 |
20090 |
◊ |
B |
-x+2,-y,z |
2_755 |
8 |
3 |
20090 |
79.4 |
-0.4 |
0.530 |
0 |
4 |
0 |
0.005 |
15 |
|
A |
9 |
4 |
20044 |
◊ |
A |
-x+2,-y,z |
2_755 |
9 |
4 |
20044 |
73.3 |
-1.1 |
0.356 |
0 |
4 |
0 |
0.005 |
| Average: |
76.4 |
-0.8 |
0.443 |
0 |
4 |
0 |
0.005 |
| 15 |
16 |
|
[CL]A:580 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20044 |
71.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.083 |
17 |
|
[CL]B:580 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
20090 |
69.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
70.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.083 |
| 16 |
18 |
|
[SO4]A:582 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20044 |
70.1 |
-8.6 |
0.919 |
3 |
0 |
0 |
0.060 |
| 17 |
19 |
|
[ZN]B:579 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
20090 |
49.3 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.261 |
20 |
|
[ZN]A:579 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
20044 |
47.2 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.261 |
| Average: |
48.3 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.261 |
| 18 |
21 |
|
[ZN]B:576 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
7 |
4 |
20090 |
45.4 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.326 |
22 |
|
[ZN]A:577 |
1 |
1 |
98 |
cx |
A |
x,y,z |
1_555 |
5 |
3 |
20044 |
44.1 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.326 |
| Average: |
44.7 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.326 |
| 19 |
23 |
|
[ZN]A:576 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
20044 |
44.1 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.220 |
24 |
|
[ZN]B:577 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
20090 |
44.1 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.220 |
| Average: |
44.1 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.220 |
| 20 |
25 |
|
[CA]A:581 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
20044 |
43.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.113 |
26 |
|
[CA]B:581 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
20090 |
43.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
43.5 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.113 |
| 21 |
27 |
|
[ZN]A:578 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20044 |
40.1 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.243 |
28 |
|
[ZN]B:578 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20090 |
40.0 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.243 |
| Average: |
40.0 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.243 |
| 22 |
29 |
|
[ZN]A:577 |
1 |
1 |
98 |
f |
[ZN]A:577 |
-x+2,-y,z |
2_755 |
1 |
1 |
98 |
34.5 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 23 |
30 |
|
[ZN]B:577 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20044 |
32.3 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.118 |
31 |
|
[ZN]A:576 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20090 |
30.8 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
31.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.118 |
| 24 |
32 |
|
[ZN]B:578 |
1 |
1 |
98 |
◊ |
A |
-x+2,-y,z |
2_755 |
4 |
1 |
20044 |
29.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.102 |
33 |
|
[ZN]A:578 |
1 |
1 |
98 |
◊ |
B |
-x+2,-y,z |
2_755 |
3 |
1 |
20090 |
27.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
28.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.102 |
| 25 |
34 |
|
[ZN]B:576 |
1 |
1 |
98 |
f |
[ZN]B:576 |
-x+2,-y,z |
2_755 |
1 |
1 |
98 |
28.5 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.100 |
|