| ## |
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 |
130 |
38 |
8070 |
◊ |
A |
x,y,z |
1_555 |
117 |
32 |
8191 |
1115.3 |
-5.7 |
0.530 |
21 |
8 |
0 |
0.207 |
2 |
|
C |
124 |
34 |
8123 |
◊ |
B |
x,y,z |
1_555 |
118 |
32 |
8070 |
1094.0 |
-5.7 |
0.526 |
21 |
8 |
0 |
0.207 |
3 |
|
C |
107 |
29 |
8123 |
◊ |
A |
x,y,z |
1_555 |
130 |
35 |
8191 |
1044.7 |
-5.1 |
0.568 |
19 |
6 |
0 |
0.207 |
| Average: |
1084.7 |
-5.5 |
0.542 |
20 |
7 |
0 |
0.207 |
| 2 |
4 |
|
C |
78 |
24 |
8123 |
◊ |
C |
-x,y,-z+1 |
2_556 |
78 |
24 |
8123 |
716.5 |
-5.8 |
0.396 |
10 |
0 |
0 |
0.010 |
5 |
|
B |
81 |
24 |
8070 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
79 |
24 |
8191 |
707.6 |
-5.4 |
0.430 |
12 |
1 |
0 |
0.010 |
| Average: |
712.1 |
-5.6 |
0.413 |
11 |
1 |
0 |
0.010 |
| 3 |
6 |
|
[C5P]C:1165 |
20 |
1 |
447 |
f |
C |
x,y,z |
1_555 |
40 |
17 |
8123 |
265.6 |
-2.9 |
0.494 |
2 |
0 |
0 |
0.052 |
7 |
|
[C5P]B:1164 |
20 |
1 |
443 |
f |
B |
x,y,z |
1_555 |
44 |
17 |
8070 |
264.8 |
-2.7 |
0.500 |
3 |
0 |
0 |
0.052 |
8 |
|
[C5P]A:1164 |
19 |
1 |
443 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
8191 |
264.3 |
-2.1 |
0.554 |
4 |
0 |
0 |
0.052 |
| Average: |
264.9 |
-2.6 |
0.516 |
3 |
0 |
0 |
0.052 |
| 4 |
9 |
|
[C5P]A:1163 |
19 |
1 |
452 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
8191 |
237.1 |
-0.1 |
0.757 |
9 |
0 |
0 |
0.061 |
10 |
|
[C5P]C:1164 |
18 |
1 |
450 |
f |
C |
x,y,z |
1_555 |
32 |
10 |
8123 |
226.5 |
-1.3 |
0.668 |
8 |
0 |
0 |
0.061 |
11 |
|
[C5P]B:1163 |
19 |
1 |
450 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
8070 |
226.4 |
-1.2 |
0.665 |
8 |
0 |
0 |
0.061 |
| Average: |
230.0 |
-0.9 |
0.696 |
8 |
0 |
0 |
0.061 |
| 5 |
12 |
|
A |
20 |
5 |
8191 |
◊ |
A |
-x,y,-z |
2_555 |
19 |
5 |
8191 |
150.7 |
0.7 |
0.745 |
2 |
6 |
0 |
0.000 |
| 6 |
13 |
|
[PEG]C:1163 |
6 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
8070 |
85.5 |
1.3 |
0.248 |
0 |
0 |
0 |
0.000 |
| 7 |
14 |
|
C |
11 |
3 |
8123 |
◊ |
B |
-x,y,-z |
2_555 |
14 |
5 |
8070 |
83.0 |
0.3 |
0.666 |
1 |
1 |
0 |
0.000 |
| 8 |
15 |
|
[C5P]B:1163 |
7 |
1 |
450 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
8191 |
80.1 |
-2.6 |
0.417 |
1 |
0 |
0 |
0.038 |
16 |
|
[C5P]C:1164 |
7 |
1 |
450 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
8070 |
80.0 |
-2.6 |
0.416 |
1 |
0 |
0 |
0.038 |
17 |
|
[C5P]A:1163 |
7 |
1 |
452 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
8123 |
73.1 |
-2.0 |
0.512 |
1 |
0 |
0 |
0.038 |
| Average: |
77.7 |
-2.4 |
0.449 |
1 |
0 |
0 |
0.038 |
| 9 |
18 |
|
[PEG]C:1163 |
4 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
8123 |
69.5 |
2.3 |
0.478 |
1 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[PEG]C:1163 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8191 |
67.8 |
1.2 |
0.172 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[SO4]B:1165 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8070 |
61.8 |
-8.0 |
0.792 |
4 |
0 |
0 |
0.043 |
| 12 |
21 |
|
B |
8 |
2 |
8070 |
◊ |
B |
-x,y,-z |
2_555 |
8 |
2 |
8070 |
61.8 |
1.1 |
0.831 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[C5P]C:1165 |
6 |
1 |
447 |
◊ |
[C5P]A:1163 |
x,y,z |
1_555 |
6 |
1 |
452 |
61.0 |
-2.4 |
0.419 |
0 |
0 |
0 |
0.030 |
23 |
|
[C5P]C:1164 |
6 |
1 |
450 |
◊ |
[C5P]B:1164 |
x,y,z |
1_555 |
7 |
1 |
443 |
60.3 |
-2.1 |
0.476 |
0 |
0 |
0 |
0.030 |
24 |
|
[C5P]B:1163 |
5 |
1 |
450 |
◊ |
[C5P]A:1164 |
x,y,z |
1_555 |
7 |
1 |
443 |
59.5 |
-2.3 |
0.424 |
0 |
0 |
0 |
0.030 |
| Average: |
60.2 |
-2.3 |
0.440 |
0 |
0 |
0 |
0.030 |
| 14 |
25 |
|
[SO4]B:1165 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8123 |
47.8 |
-5.6 |
0.830 |
3 |
0 |
0 |
0.031 |
| 15 |
26 |
|
[C5P]C:1165 |
5 |
1 |
447 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8191 |
42.0 |
0.1 |
0.621 |
1 |
0 |
0 |
0.004 |
27 |
|
[C5P]B:1164 |
5 |
1 |
443 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8123 |
40.2 |
0.2 |
0.649 |
1 |
0 |
0 |
0.004 |
28 |
|
[C5P]A:1164 |
5 |
1 |
443 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8070 |
40.1 |
0.2 |
0.654 |
1 |
0 |
0 |
0.004 |
| Average: |
40.7 |
0.2 |
0.641 |
1 |
0 |
0 |
0.004 |
| 16 |
29 |
|
[SO4]B:1165 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8191 |
38.2 |
-4.1 |
0.741 |
0 |
0 |
0 |
0.018 |
| 17 |
30 |
|
[ZN]A:1162 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8191 |
33.6 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.314 |
31 |
|
[ZN]B:1162 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
8070 |
33.4 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.314 |
32 |
|
[ZN]C:1162 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
7 |
3 |
8123 |
33.1 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.314 |
| Average: |
33.3 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.314 |
| 18 |
33 |
|
[SO4]B:1165 |
4 |
1 |
188 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
2 |
8070 |
33.2 |
-3.5 |
0.742 |
0 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[C5P]C:1165 |
5 |
1 |
447 |
cf |
[ZN]C:1162 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.167 |
35 |
|
[C5P]A:1164 |
4 |
1 |
443 |
cf |
[ZN]A:1162 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.167 |
36 |
|
[C5P]B:1164 |
5 |
1 |
443 |
cf |
[ZN]B:1162 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.167 |
| Average: |
28.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.167 |
| 20 |
37 |
|
[ZN]C:1162 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8191 |
8.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
38 |
|
[ZN]B:1162 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8123 |
8.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.036 |
39 |
|
[ZN]A:1162 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8070 |
7.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
8.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| 21 |
40 |
|
B |
2 |
2 |
8070 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
8191 |
3.9 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
[C5P]B:1163 |
1 |
1 |
450 |
◊ |
[ZN]A:1162 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
42 |
|
[C5P]C:1164 |
1 |
1 |
450 |
◊ |
[ZN]B:1162 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
43 |
|
[C5P]A:1163 |
1 |
1 |
452 |
◊ |
[ZN]C:1162 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
2.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
|