## |
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 |
47 |
15 |
2593 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
2707 |
408.4 |
-5.8 |
0.157 |
6 |
0 |
0 |
0.143 |
2 |
2 |
|
D |
41 |
15 |
2226 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
2803 |
390.6 |
-6.2 |
0.172 |
6 |
0 |
0 |
0.196 |
3 |
3 |
|
B |
33 |
11 |
2803 |
◊ |
B |
x-y+1,-y+2,-z |
8_675 |
33 |
11 |
2803 |
368.4 |
-0.4 |
0.458 |
6 |
12 |
0 |
0.000 |
4 |
|
A |
34 |
12 |
2707 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
34 |
12 |
2707 |
364.9 |
-0.6 |
0.453 |
6 |
12 |
0 |
0.000 |
Average: |
366.6 |
-0.5 |
0.456 |
6 |
12 |
0 |
0.000 |
4 |
5 |
|
D |
26 |
6 |
2226 |
◊ |
A |
x-y+1,x+1,z-1/6 |
6_664 |
29 |
9 |
2707 |
257.6 |
-0.8 |
0.495 |
3 |
0 |
0 |
0.024 |
5 |
6 |
|
B |
30 |
10 |
2803 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
30 |
10 |
2707 |
248.3 |
-1.9 |
0.350 |
2 |
0 |
0 |
0.044 |
6 |
7 |
|
C |
23 |
6 |
2593 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
2803 |
225.1 |
-0.6 |
0.406 |
3 |
0 |
0 |
0.029 |
7 |
8 |
|
C |
19 |
4 |
2593 |
◊ |
D |
x-y,-y+1,-z |
8_565 |
26 |
7 |
2226 |
190.6 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
C |
17 |
6 |
2593 |
◊ |
B |
x-y,-y+1,-z |
8_565 |
12 |
6 |
2803 |
138.5 |
-1.2 |
0.402 |
4 |
0 |
0 |
0.044 |
9 |
10 |
|
D |
15 |
3 |
2226 |
◊ |
D |
x,x-y+1,-z-1/6 |
12_564 |
14 |
3 |
2226 |
120.8 |
1.0 |
0.756 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
D |
11 |
3 |
2226 |
◊ |
B |
x-y+1,-y+2,-z |
8_675 |
15 |
4 |
2803 |
118.5 |
0.3 |
0.596 |
2 |
2 |
0 |
0.007 |
11 |
12 |
|
C |
12 |
4 |
2593 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
14 |
4 |
2707 |
115.6 |
0.3 |
0.559 |
2 |
2 |
0 |
0.008 |
12 |
13 |
|
[GOL]C:204 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
2593 |
90.3 |
0.1 |
0.565 |
2 |
0 |
0 |
0.016 |
13 |
14 |
|
[GOL]C:201 |
6 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
2593 |
88.5 |
-1.0 |
0.437 |
1 |
0 |
0 |
0.028 |
14 |
15 |
|
[SO4]C:104 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
2593 |
81.9 |
-12.3 |
0.774 |
4 |
0 |
0 |
0.270 |
15 |
16 |
|
[SO4]B:106 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
2803 |
81.3 |
-11.3 |
0.705 |
2 |
0 |
0 |
0.271 |
16 |
17 |
|
[SO4]B:101 |
5 |
1 |
186 |
f |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
12 |
5 |
2707 |
81.2 |
-11.4 |
0.778 |
5 |
0 |
0 |
0.231 |
17 |
18 |
|
[SO4]C:105 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
2593 |
77.7 |
-11.2 |
0.738 |
4 |
0 |
0 |
0.248 |
18 |
19 |
|
[GOL]C:203 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
2593 |
75.7 |
-1.1 |
0.387 |
2 |
0 |
0 |
0.034 |
19 |
20 |
|
[SO4]A:102 |
5 |
1 |
185 |
f |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
12 |
5 |
2803 |
74.5 |
-10.8 |
0.773 |
5 |
0 |
0 |
0.289 |
20 |
21 |
|
[SO4]D:103 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
2226 |
70.1 |
-10.1 |
0.758 |
2 |
0 |
0 |
0.243 |
21 |
22 |
|
C |
10 |
4 |
2593 |
◊ |
[SO4]D:103 |
x-y,-y+1,-z |
8_565 |
4 |
1 |
184 |
69.6 |
-8.2 |
0.876 |
1 |
0 |
0 |
0.165 |
22 |
23 |
|
[GOL]C:203 |
4 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
2707 |
66.0 |
-2.2 |
0.190 |
0 |
0 |
0 |
0.037 |
23 |
24 |
|
[GOL]C:201 |
5 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
2803 |
63.4 |
0.3 |
0.620 |
2 |
0 |
0 |
0.008 |
24 |
25 |
|
[GOL]A:202 |
5 |
1 |
217 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
6 |
2 |
2803 |
59.4 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.004 |
25 |
26 |
|
[GOL]A:202 |
5 |
1 |
217 |
f |
C |
-y+1,-x+1,-z+1/6 |
10_665 |
7 |
2 |
2593 |
51.6 |
-0.8 |
0.443 |
0 |
0 |
0 |
0.015 |
26 |
27 |
|
[SO4]C:104 |
4 |
1 |
185 |
◊ |
B |
x-y,-y+1,-z |
8_565 |
8 |
3 |
2803 |
47.5 |
-5.5 |
0.790 |
1 |
0 |
0 |
0.089 |
27 |
28 |
|
[CL]B:151 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
2803 |
43.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.183 |
29 |
|
[CL]B:151 |
1 |
1 |
125 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
8 |
2 |
2707 |
43.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.183 |
Average: |
43.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.183 |
28 |
30 |
|
D |
5 |
2 |
2226 |
◊ |
C |
x-y+1,x+1,z-1/6 |
6_664 |
3 |
2 |
2593 |
40.0 |
0.6 |
0.606 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[GOL]A:202 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
2707 |
39.7 |
0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[SO4]B:101 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2803 |
35.0 |
-3.8 |
0.966 |
2 |
0 |
0 |
0.072 |
31 |
33 |
|
[SO4]B:101 |
4 |
1 |
186 |
◊ |
D |
x-y+1,-y+2,-z |
8_675 |
4 |
2 |
2226 |
34.8 |
-4.4 |
0.543 |
0 |
0 |
0 |
0.051 |
32 |
34 |
|
[GOL]C:204 |
3 |
1 |
220 |
◊ |
[GOL]C:203 |
x,y,z |
1_555 |
5 |
1 |
217 |
33.9 |
0.2 |
0.565 |
1 |
0 |
0 |
0.004 |
33 |
35 |
|
[SO4]A:102 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2707 |
33.0 |
-3.4 |
0.965 |
2 |
0 |
0 |
0.066 |
34 |
36 |
|
[SO4]A:102 |
4 |
1 |
185 |
◊ |
C |
-y+1,-x+1,-z+1/6 |
10_665 |
3 |
2 |
2593 |
31.3 |
-4.0 |
0.462 |
0 |
0 |
0 |
0.058 |
35 |
37 |
|
[SO4]D:103 |
4 |
1 |
184 |
◊ |
D |
x,x-y+1,-z-1/6 |
12_564 |
5 |
2 |
2226 |
19.7 |
-2.3 |
0.760 |
0 |
0 |
0 |
0.026 |
36 |
38 |
|
[GOL]C:204 |
1 |
1 |
220 |
f |
[SO4]C:105 |
x,y,z |
1_555 |
2 |
1 |
185 |
19.5 |
-2.1 |
0.693 |
1 |
0 |
0 |
0.049 |
37 |
39 |
|
[SO4]B:106 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2593 |
16.8 |
-2.4 |
0.503 |
0 |
0 |
0 |
0.035 |
38 |
40 |
|
[GOL]C:201 |
1 |
1 |
213 |
◊ |
[SO4]A:102 |
-y+1,-x+1,-z+1/6 |
10_665 |
2 |
1 |
185 |
15.7 |
-1.5 |
0.693 |
1 |
0 |
0 |
0.029 |
39 |
41 |
|
[GOL]C:201 |
2 |
1 |
213 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2226 |
10.4 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[CL]B:151 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2707 |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[CL]B:151 |
1 |
1 |
125 |
◊ |
B |
x-y+1,-y+2,-z |
8_675 |
2 |
1 |
2803 |
6.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[SO4]B:101 |
1 |
1 |
186 |
◊ |
B |
x-y+1,-y+2,-z |
8_675 |
1 |
1 |
2803 |
3.4 |
-0.4 |
0.830 |
0 |
0 |
0 |
0.003 |
42 |
45 |
|
[SO4]A:102 |
1 |
1 |
185 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
1 |
1 |
2707 |
3.1 |
-0.3 |
0.832 |
0 |
0 |
0 |
0.002 |
43 |
46 |
|
D |
1 |
1 |
2226 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2593 |
1.8 |
-0.1 |
0.520 |
0 |
0 |
0 |
0.000 |
|