| ## |
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 |
112 |
29 |
8136 |
◊ |
B |
x,y,z |
1_555 |
121 |
30 |
8159 |
943.4 |
-12.6 |
0.131 |
10 |
4 |
0 |
0.227 |
2 |
|
D |
113 |
29 |
8166 |
◊ |
A |
x,y,z |
1_555 |
117 |
29 |
8025 |
938.5 |
-13.1 |
0.122 |
9 |
3 |
0 |
0.227 |
| Average: |
940.9 |
-12.9 |
0.126 |
10 |
4 |
0 |
0.227 |
| 2 |
3 |
|
F |
83 |
14 |
2251 |
◊ |
A |
x,y,z |
1_555 |
91 |
24 |
8025 |
748.4 |
0.2 |
0.655 |
7 |
1 |
0 |
0.003 |
4 |
|
E |
84 |
14 |
2261 |
◊ |
C |
x,y,z |
1_555 |
90 |
23 |
8136 |
745.7 |
0.2 |
0.617 |
6 |
1 |
0 |
0.003 |
| Average: |
747.0 |
0.2 |
0.636 |
7 |
1 |
0 |
0.003 |
| 3 |
5 |
|
B |
39 |
12 |
8159 |
◊ |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
40 |
10 |
8166 |
391.7 |
1.4 |
0.779 |
5 |
4 |
0 |
0.000 |
| 4 |
6 |
|
F |
30 |
6 |
2251 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
8159 |
331.8 |
-0.2 |
0.703 |
5 |
2 |
0 |
0.000 |
7 |
|
E |
27 |
6 |
2261 |
◊ |
D |
x,y,z |
1_555 |
46 |
13 |
8166 |
329.9 |
-0.4 |
0.674 |
5 |
2 |
0 |
0.000 |
| Average: |
330.8 |
-0.3 |
0.689 |
5 |
2 |
0 |
0.000 |
| 5 |
8 |
|
D |
34 |
8 |
8166 |
◊ |
C |
x,y,z |
1_555 |
33 |
7 |
8136 |
320.0 |
1.3 |
0.751 |
2 |
7 |
0 |
0.000 |
9 |
|
B |
38 |
8 |
8159 |
◊ |
A |
x,y,z |
1_555 |
33 |
7 |
8025 |
302.3 |
1.9 |
0.809 |
4 |
8 |
0 |
0.000 |
| Average: |
311.1 |
1.6 |
0.780 |
3 |
8 |
0 |
0.000 |
| 6 |
10 |
|
A |
28 |
9 |
8025 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
21 |
6 |
8136 |
257.3 |
-0.7 |
0.543 |
0 |
3 |
0 |
0.000 |
| 7 |
11 |
|
F |
26 |
6 |
2251 |
◊ |
E |
x,y,z |
1_555 |
26 |
6 |
2261 |
242.7 |
-3.3 |
0.503 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
26 |
10 |
8159 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
32 |
9 |
8136 |
227.8 |
-0.7 |
0.582 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
31 |
9 |
8025 |
◊ |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
26 |
9 |
8166 |
223.5 |
-1.1 |
0.541 |
1 |
0 |
0 |
0.000 |
| Average: |
225.7 |
-0.9 |
0.561 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
A |
24 |
8 |
8025 |
◊ |
B |
y,x-1,-z |
7_545 |
25 |
9 |
8159 |
197.6 |
-0.8 |
0.545 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
E |
14 |
3 |
2261 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
8159 |
171.1 |
-3.6 |
0.244 |
1 |
0 |
0 |
0.005 |
16 |
|
F |
15 |
3 |
2251 |
◊ |
D |
x,y,z |
1_555 |
23 |
9 |
8166 |
170.3 |
-3.6 |
0.238 |
1 |
0 |
0 |
0.005 |
| Average: |
170.7 |
-3.6 |
0.241 |
1 |
0 |
0 |
0.005 |
| 11 |
17 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8025 |
115.6 |
-14.1 |
0.953 |
3 |
0 |
0 |
0.173 |
| 12 |
18 |
|
[SO4]C:501 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
8136 |
114.2 |
-13.9 |
0.946 |
1 |
0 |
0 |
0.185 |
| 13 |
19 |
|
[SO4]D:501 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
8166 |
113.3 |
-13.4 |
0.946 |
1 |
0 |
0 |
0.156 |
| 14 |
20 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8159 |
113.0 |
-13.5 |
0.936 |
3 |
0 |
0 |
0.190 |
| 15 |
21 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8025 |
84.6 |
-12.4 |
0.741 |
0 |
0 |
0 |
0.140 |
| 16 |
22 |
|
A |
9 |
3 |
8025 |
◊ |
C |
y,x-1,-z |
7_545 |
7 |
3 |
8136 |
73.1 |
1.9 |
0.775 |
0 |
3 |
0 |
0.000 |
23 |
|
D |
5 |
2 |
8166 |
◊ |
B |
y,x-1,-z |
7_545 |
8 |
2 |
8159 |
71.6 |
1.5 |
0.752 |
2 |
3 |
0 |
0.000 |
| Average: |
72.4 |
1.7 |
0.763 |
1 |
3 |
0 |
0.000 |
| 17 |
24 |
|
[SO4]D:502 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8025 |
67.7 |
-9.8 |
0.743 |
2 |
0 |
0 |
0.120 |
| 18 |
25 |
|
B |
9 |
4 |
8159 |
f |
[SO4]C:502 |
-y-1/2,x-1/2,z-1/4 |
3_444 |
4 |
1 |
185 |
67.7 |
-9.0 |
0.712 |
0 |
0 |
0 |
0.115 |
| 19 |
26 |
|
[SO4]D:502 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8166 |
67.2 |
-10.4 |
0.739 |
2 |
0 |
0 |
0.127 |
| 20 |
27 |
|
[SO4]B:501 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8159 |
67.0 |
-10.5 |
0.747 |
2 |
0 |
0 |
0.146 |
| 21 |
28 |
|
[SO4]B:501 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
8136 |
66.2 |
-9.8 |
0.717 |
2 |
0 |
0 |
0.138 |
| 22 |
29 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
8 |
4 |
8166 |
57.2 |
-7.8 |
0.710 |
0 |
0 |
0 |
0.087 |
| 23 |
30 |
|
[NH2]E:297 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
2261 |
46.5 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
31 |
|
[NH2]F:297 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
5 |
2 |
2251 |
46.2 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
| Average: |
46.3 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[NH2]F:297 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
8166 |
45.3 |
0.5 |
0.741 |
0 |
0 |
0 |
0.000 |
33 |
|
[NH2]E:297 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
8159 |
44.4 |
0.5 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
44.8 |
0.5 |
0.747 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[SO4]A:502 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8025 |
43.0 |
-4.6 |
0.898 |
1 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[SO4]C:502 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8136 |
35.8 |
-4.4 |
0.881 |
1 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[SO4]B:501 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
2261 |
12.9 |
-1.4 |
0.791 |
0 |
0 |
0 |
0.002 |
| 28 |
37 |
|
[SO4]D:502 |
3 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
2251 |
12.8 |
-1.3 |
0.809 |
0 |
0 |
0 |
0.001 |
| 29 |
38 |
|
[NH2]E:297 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
2251 |
5.9 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
39 |
|
[NH2]F:297 |
1 |
1 |
117 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
2261 |
4.9 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
| Average: |
5.4 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
|