| ## |
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 |
|
C |
201 |
52 |
12491 |
◊ |
B |
x,y,z |
1_555 |
207 |
54 |
12326 |
1879.2 |
-22.1 |
0.157 |
27 |
6 |
0 |
0.163 |
2 |
|
E |
203 |
52 |
12179 |
◊ |
D |
x,y,z |
1_555 |
201 |
53 |
12030 |
1870.5 |
-23.4 |
0.139 |
28 |
6 |
0 |
0.163 |
3 |
|
F |
200 |
52 |
12415 |
◊ |
A |
x,y,z |
1_555 |
201 |
53 |
12368 |
1849.1 |
-23.1 |
0.109 |
25 |
4 |
0 |
0.163 |
| Average: |
1866.3 |
-22.9 |
0.135 |
27 |
5 |
0 |
0.163 |
| 2 |
4 |
|
B |
152 |
40 |
12326 |
◊ |
A |
x,y,z |
1_555 |
151 |
41 |
12368 |
1427.5 |
-13.1 |
0.342 |
26 |
22 |
0 |
0.121 |
5 |
|
D |
151 |
39 |
12030 |
◊ |
C |
x,y,z |
1_555 |
146 |
39 |
12491 |
1409.8 |
-12.6 |
0.384 |
27 |
21 |
0 |
0.121 |
6 |
|
F |
148 |
40 |
12415 |
◊ |
E |
x,y,z |
1_555 |
144 |
38 |
12179 |
1409.5 |
-12.7 |
0.353 |
26 |
21 |
0 |
0.121 |
| Average: |
1415.6 |
-12.8 |
0.360 |
26 |
21 |
0 |
0.121 |
| 3 |
7 |
|
F |
36 |
10 |
12415 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
9 |
12030 |
315.8 |
-2.6 |
0.473 |
0 |
0 |
0 |
0.000 |
8 |
|
E |
33 |
10 |
12179 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
33 |
11 |
12491 |
297.8 |
-3.1 |
0.417 |
0 |
0 |
0 |
0.000 |
| Average: |
306.8 |
-2.9 |
0.445 |
0 |
0 |
0 |
0.000 |
| 4 |
9 |
|
B |
23 |
8 |
12326 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
26 |
10 |
12368 |
215.1 |
-1.3 |
0.515 |
1 |
2 |
0 |
0.000 |
| 5 |
10 |
|
F |
23 |
10 |
12415 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
10 |
12491 |
207.2 |
-2.9 |
0.326 |
0 |
0 |
0 |
0.000 |
| 6 |
11 |
|
D |
17 |
6 |
12030 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
12368 |
190.0 |
0.8 |
0.804 |
3 |
1 |
0 |
0.000 |
| 7 |
12 |
|
E |
21 |
3 |
12179 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
12368 |
175.6 |
-0.7 |
0.605 |
1 |
0 |
0 |
0.005 |
13 |
|
C |
19 |
4 |
12491 |
◊ |
A |
x,y,z |
1_555 |
20 |
3 |
12368 |
168.9 |
-0.8 |
0.587 |
0 |
0 |
0 |
0.005 |
14 |
|
E |
19 |
4 |
12179 |
◊ |
C |
x,y,z |
1_555 |
18 |
3 |
12491 |
163.7 |
-0.7 |
0.609 |
1 |
0 |
0 |
0.005 |
15 |
|
F |
20 |
3 |
12415 |
◊ |
D |
x,y,z |
1_555 |
20 |
4 |
12030 |
157.4 |
-0.3 |
0.641 |
0 |
0 |
0 |
0.005 |
16 |
|
D |
18 |
3 |
12030 |
◊ |
B |
x,y,z |
1_555 |
20 |
4 |
12326 |
153.4 |
-0.3 |
0.638 |
0 |
0 |
0 |
0.005 |
17 |
|
F |
19 |
4 |
12415 |
◊ |
B |
x,y,z |
1_555 |
18 |
3 |
12326 |
152.6 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.005 |
| Average: |
161.9 |
-0.5 |
0.616 |
0 |
0 |
0 |
0.005 |
| 8 |
18 |
|
F |
16 |
6 |
12415 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
15 |
5 |
12368 |
136.6 |
-0.4 |
0.623 |
3 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[SO4]C:8005 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12491 |
103.4 |
-13.5 |
0.935 |
4 |
0 |
0 |
0.067 |
| 10 |
20 |
|
[SO4]E:8003 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
12179 |
101.8 |
-13.1 |
0.938 |
4 |
0 |
0 |
0.066 |
21 |
|
[SO4]A:8006 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12368 |
100.1 |
-13.0 |
0.934 |
4 |
0 |
0 |
0.066 |
| Average: |
101.0 |
-13.0 |
0.936 |
4 |
0 |
0 |
0.066 |
| 11 |
22 |
|
[SO4]D:8001 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
12030 |
101.6 |
-13.2 |
0.937 |
4 |
0 |
0 |
0.066 |
| 12 |
23 |
|
[SO4]B:8002 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12326 |
100.7 |
-13.2 |
0.934 |
4 |
0 |
0 |
0.062 |
| 13 |
24 |
|
[SO4]F:8004 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
12415 |
100.5 |
-13.2 |
0.933 |
4 |
0 |
0 |
0.066 |
| 14 |
25 |
|
[SO4]A:8007 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12368 |
90.2 |
-12.7 |
0.878 |
3 |
0 |
0 |
0.058 |
| 15 |
26 |
|
[SO4]B:8008 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12326 |
87.9 |
-12.4 |
0.877 |
3 |
0 |
0 |
0.057 |
| 16 |
27 |
|
[SO4]F:8010 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
12415 |
86.3 |
-12.9 |
0.864 |
3 |
0 |
0 |
0.062 |
| 17 |
28 |
|
[SO4]C:8009 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
12491 |
84.5 |
-11.8 |
0.881 |
3 |
0 |
0 |
0.058 |
| 18 |
29 |
|
F |
7 |
4 |
12415 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
12326 |
54.8 |
-0.6 |
0.464 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[ZN]E:301 |
1 |
1 |
98 |
cf |
E |
x,y,z |
1_555 |
12 |
8 |
12179 |
49.2 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.300 |
31 |
|
[ZN]D:301 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
12 |
9 |
12030 |
48.6 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.300 |
32 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
12368 |
48.6 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.300 |
33 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
12326 |
48.4 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.300 |
34 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
12491 |
47.9 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.300 |
35 |
|
[ZN]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
9 |
12415 |
47.8 |
-32.2 |
0.000 |
0 |
0 |
0 |
0.300 |
| Average: |
48.4 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.300 |
| 20 |
36 |
|
[ZN]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
12179 |
45.4 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.303 |
37 |
|
[ZN]D:302 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
9 |
6 |
12030 |
45.2 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.303 |
38 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12368 |
45.0 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.303 |
39 |
|
[ZN]B:302 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
12326 |
44.7 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.303 |
40 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12491 |
44.7 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.303 |
41 |
|
[ZN]F:302 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
12415 |
44.5 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.303 |
| Average: |
44.9 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.303 |
| 21 |
42 |
|
[ZN]F:302 |
1 |
1 |
98 |
f |
[ZN]F:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| 22 |
43 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.053 |
| 23 |
44 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.050 |
| 24 |
45 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.050 |
| 25 |
46 |
|
[ZN]E:302 |
1 |
1 |
98 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| 26 |
47 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.051 |
| 27 |
48 |
|
[SO4]F:8010 |
2 |
1 |
186 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
12326 |
11.8 |
-1.2 |
0.912 |
0 |
0 |
0 |
0.000 |
|