| ## |
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 |
113 |
31 |
7828 |
◊ |
A |
x,y,z |
1_555 |
112 |
32 |
8015 |
1078.3 |
-14.0 |
0.063 |
10 |
0 |
0 |
0.274 |
2 |
|
C |
96 |
28 |
7828 |
◊ |
B |
x,y,z |
1_555 |
111 |
31 |
8146 |
982.0 |
-12.1 |
0.103 |
12 |
0 |
0 |
0.274 |
3 |
|
B |
99 |
28 |
8146 |
◊ |
A |
x,y,z |
1_555 |
110 |
31 |
8015 |
961.3 |
-13.5 |
0.070 |
10 |
0 |
0 |
0.274 |
| Average: |
1007.2 |
-13.2 |
0.079 |
11 |
0 |
0 |
0.274 |
| 2 |
4 |
|
C |
46 |
14 |
7828 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
46 |
15 |
8015 |
444.5 |
-6.3 |
0.193 |
3 |
2 |
0 |
0.084 |
| 3 |
5 |
|
B |
46 |
15 |
8146 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
43 |
12 |
8015 |
395.6 |
-3.8 |
0.368 |
3 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
41 |
11 |
8146 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
40 |
10 |
8146 |
357.3 |
-1.9 |
0.522 |
7 |
2 |
0 |
0.000 |
| 5 |
7 |
|
C |
38 |
13 |
7828 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
26 |
8 |
8146 |
318.9 |
-2.1 |
0.433 |
4 |
1 |
0 |
0.000 |
| 6 |
8 |
|
B |
38 |
13 |
8146 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
11 |
8015 |
292.0 |
-1.0 |
0.573 |
2 |
3 |
0 |
0.000 |
| 7 |
9 |
|
C |
25 |
9 |
7828 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
9 |
8146 |
282.8 |
2.5 |
0.851 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
27 |
7 |
8015 |
x |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
25 |
6 |
8015 |
224.0 |
0.2 |
0.630 |
5 |
1 |
0 |
0.000 |
| 9 |
11 |
|
C |
23 |
4 |
7828 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
7 |
7828 |
197.4 |
-0.7 |
0.558 |
4 |
1 |
0 |
0.000 |
| 10 |
12 |
|
A |
15 |
6 |
8015 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
6 |
7828 |
155.6 |
1.9 |
0.791 |
3 |
7 |
0 |
0.000 |
| 11 |
13 |
|
[GOL]A:254 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8015 |
103.2 |
0.6 |
0.663 |
2 |
0 |
0 |
0.003 |
| 12 |
14 |
|
[SO4]A:204 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8015 |
102.4 |
-15.8 |
0.782 |
4 |
0 |
0 |
0.187 |
| 13 |
15 |
|
[GOL]A:255 |
5 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
8015 |
93.6 |
0.6 |
0.655 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[GOL]C:253 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
7828 |
83.5 |
0.6 |
0.750 |
7 |
0 |
0 |
0.035 |
17 |
|
[GOL]A:251 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
8015 |
82.8 |
0.8 |
0.711 |
7 |
0 |
0 |
0.035 |
18 |
|
[GOL]B:252 |
6 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
8146 |
82.5 |
0.6 |
0.695 |
6 |
0 |
0 |
0.035 |
| Average: |
82.9 |
0.6 |
0.719 |
7 |
0 |
0 |
0.035 |
| 15 |
19 |
|
[SO4]B:207 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8146 |
77.4 |
-11.3 |
0.723 |
2 |
0 |
0 |
0.062 |
| 16 |
20 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
8146 |
68.5 |
-9.5 |
0.795 |
7 |
0 |
0 |
0.271 |
21 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
8015 |
68.4 |
-9.7 |
0.783 |
7 |
0 |
0 |
0.271 |
22 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
7828 |
68.1 |
-9.6 |
0.794 |
7 |
0 |
0 |
0.271 |
| Average: |
68.3 |
-9.6 |
0.791 |
7 |
0 |
0 |
0.271 |
| 17 |
23 |
|
[SO4]B:206 |
5 |
1 |
186 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
8146 |
67.6 |
-9.9 |
0.715 |
2 |
0 |
0 |
0.055 |
| 18 |
24 |
|
[SO4]A:205 |
4 |
1 |
185 |
f |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
3 |
7828 |
64.5 |
-8.8 |
0.705 |
1 |
0 |
0 |
0.099 |
| 19 |
25 |
|
[SO4]A:209 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
8015 |
52.9 |
-6.4 |
0.916 |
2 |
0 |
0 |
0.077 |
| 20 |
26 |
|
C |
5 |
3 |
7828 |
◊ |
[SO4]A:209 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
52.4 |
-5.6 |
0.938 |
2 |
0 |
0 |
0.069 |
| 21 |
27 |
|
[SO4]C:208 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
7828 |
51.0 |
-6.5 |
0.603 |
0 |
0 |
0 |
0.069 |
| 22 |
28 |
|
[SO4]B:206 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8146 |
49.2 |
-4.7 |
0.972 |
2 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[GOL]C:253 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8146 |
48.5 |
0.3 |
0.624 |
1 |
0 |
0 |
0.003 |
30 |
|
[GOL]B:252 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8015 |
46.7 |
0.4 |
0.616 |
1 |
0 |
0 |
0.003 |
31 |
|
[GOL]A:251 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
7828 |
45.0 |
0.3 |
0.618 |
1 |
0 |
0 |
0.003 |
| Average: |
46.7 |
0.3 |
0.619 |
1 |
0 |
0 |
0.003 |
| 24 |
32 |
|
[GOL]B:252 |
4 |
1 |
222 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
2 |
8015 |
47.4 |
-0.8 |
0.362 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[SO4]B:203 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
7828 |
47.4 |
-5.7 |
0.918 |
2 |
0 |
0 |
0.099 |
34 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8146 |
47.0 |
-5.6 |
0.921 |
2 |
0 |
0 |
0.099 |
35 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8015 |
46.7 |
-5.5 |
0.920 |
2 |
0 |
0 |
0.099 |
| Average: |
47.0 |
-5.6 |
0.920 |
2 |
0 |
0 |
0.099 |
| 26 |
36 |
|
[GOL]C:253 |
4 |
1 |
220 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
8146 |
44.6 |
-0.8 |
0.370 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
C |
7 |
2 |
7828 |
◊ |
[GOL]A:251 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
219 |
44.2 |
-0.9 |
0.353 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
B |
7 |
3 |
8146 |
f |
[GOL]A:255 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
222 |
43.3 |
0.0 |
0.517 |
1 |
0 |
0 |
0.002 |
| 29 |
39 |
|
[SO4]A:205 |
4 |
1 |
185 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
2 |
8015 |
43.0 |
-4.2 |
0.908 |
0 |
0 |
0 |
0.021 |
| 30 |
40 |
|
[SO4]A:205 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
8015 |
42.9 |
-5.0 |
0.923 |
1 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[SO4]C:208 |
4 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8015 |
40.4 |
-3.4 |
0.972 |
2 |
0 |
0 |
0.046 |
| 32 |
42 |
|
C |
3 |
2 |
7828 |
◊ |
[SO4]B:207 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
26.8 |
-3.2 |
0.859 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[GOL]C:253 |
3 |
1 |
220 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
4 |
1 |
186 |
25.6 |
-2.7 |
0.676 |
1 |
0 |
0 |
0.066 |
44 |
|
[GOL]B:252 |
3 |
1 |
222 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
185 |
25.2 |
-2.7 |
0.676 |
1 |
0 |
0 |
0.066 |
45 |
|
[GOL]A:251 |
3 |
1 |
219 |
f |
[SO4]C:201 |
x,y,z |
1_555 |
4 |
1 |
186 |
24.9 |
-2.6 |
0.707 |
1 |
0 |
0 |
0.066 |
| Average: |
25.2 |
-2.7 |
0.686 |
1 |
0 |
0 |
0.066 |
| 34 |
46 |
|
[SO4]B:203 |
3 |
1 |
186 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
8146 |
24.3 |
-2.3 |
0.907 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
C |
4 |
1 |
7828 |
◊ |
[SO4]C:201 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
186 |
23.0 |
-2.3 |
0.895 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
B |
1 |
1 |
8146 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
7828 |
22.6 |
1.3 |
0.898 |
0 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[SO4]A:202 |
3 |
1 |
185 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
8015 |
22.1 |
-2.2 |
0.914 |
0 |
0 |
0 |
0.000 |
| 38 |
50 |
|
[SO4]C:208 |
1 |
1 |
186 |
◊ |
[SO4]A:204 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
187 |
10.6 |
-2.5 |
0.800 |
0 |
0 |
0 |
0.027 |
| 39 |
51 |
|
C |
1 |
1 |
7828 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8015 |
2.4 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
|