## |
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 |
186 |
50 |
12959 |
◊ |
A |
x,y,z |
1_555 |
184 |
50 |
12939 |
1694.8 |
-32.1 |
0.005 |
14 |
8 |
0 |
0.329 |
2 |
|
D |
174 |
50 |
13080 |
◊ |
D |
-x,y,-z-2 |
2_553 |
175 |
50 |
13080 |
1677.2 |
-27.9 |
0.017 |
18 |
10 |
0 |
0.329 |
3 |
|
B |
172 |
49 |
12910 |
◊ |
B |
-x,y,-z+1 |
2_556 |
173 |
49 |
12910 |
1658.1 |
-28.3 |
0.013 |
16 |
8 |
0 |
0.329 |
Average: |
1676.7 |
-29.4 |
0.011 |
16 |
9 |
0 |
0.329 |
2 |
4 |
|
A |
63 |
19 |
12939 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
60 |
20 |
13080 |
649.5 |
-5.0 |
0.440 |
7 |
2 |
0 |
0.063 |
5 |
|
B |
61 |
20 |
12910 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
63 |
19 |
12959 |
646.9 |
-5.1 |
0.432 |
7 |
2 |
0 |
0.063 |
Average: |
648.2 |
-5.0 |
0.436 |
7 |
2 |
0 |
0.063 |
3 |
6 |
|
D |
44 |
15 |
13080 |
◊ |
C |
-x,y,-z-1 |
2_554 |
46 |
12 |
12959 |
389.8 |
-2.2 |
0.610 |
2 |
0 |
0 |
0.000 |
7 |
|
B |
47 |
16 |
12910 |
◊ |
A |
-x,y,-z |
2_555 |
44 |
12 |
12939 |
376.1 |
-2.7 |
0.501 |
2 |
0 |
0 |
0.000 |
8 |
|
D |
32 |
9 |
13080 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
8 |
12939 |
247.2 |
-1.4 |
0.595 |
1 |
0 |
0 |
0.000 |
9 |
|
C |
29 |
9 |
12959 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
8 |
12910 |
242.4 |
-2.0 |
0.475 |
1 |
0 |
0 |
0.000 |
Average: |
313.9 |
-2.1 |
0.545 |
2 |
0 |
0 |
0.000 |
4 |
10 |
|
[SO4]C:402 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
12959 |
123.7 |
-19.3 |
0.738 |
7 |
0 |
0 |
0.167 |
5 |
11 |
|
[SO4]D:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
27 |
10 |
13080 |
121.2 |
-18.9 |
0.712 |
7 |
0 |
0 |
0.388 |
6 |
12 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
12910 |
120.8 |
-18.0 |
0.721 |
7 |
0 |
0 |
0.364 |
7 |
13 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
12939 |
119.2 |
-19.5 |
0.734 |
6 |
0 |
0 |
0.167 |
8 |
14 |
|
[GOL]D:403 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
13080 |
117.3 |
-0.1 |
0.594 |
4 |
0 |
0 |
0.032 |
9 |
15 |
|
[GOL]B:403 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
12910 |
111.4 |
0.3 |
0.670 |
6 |
0 |
0 |
0.040 |
10 |
16 |
|
[GOL]C:405 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
12959 |
105.9 |
-0.4 |
0.535 |
2 |
0 |
0 |
0.009 |
11 |
17 |
|
[GOL]A:405 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12939 |
105.0 |
-1.3 |
0.382 |
0 |
0 |
0 |
0.010 |
12 |
18 |
|
[GOL]D:404 |
6 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
13080 |
101.8 |
0.7 |
0.677 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
[GOL]A:407 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12939 |
100.8 |
-1.2 |
0.409 |
2 |
0 |
0 |
0.015 |
14 |
20 |
|
[GOL]C:406 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
12959 |
100.1 |
-1.7 |
0.363 |
1 |
0 |
0 |
0.016 |
15 |
21 |
|
[GOL]B:405 |
5 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
12910 |
98.3 |
-1.1 |
0.455 |
0 |
0 |
0 |
0.019 |
16 |
22 |
|
[GOL]A:405 |
6 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
12959 |
96.0 |
-0.2 |
0.421 |
0 |
0 |
0 |
0.001 |
17 |
23 |
|
[GOL]A:406 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
12939 |
92.5 |
-0.1 |
0.568 |
1 |
0 |
0 |
0.004 |
18 |
24 |
|
[GOL]B:406 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12910 |
89.1 |
-0.7 |
0.487 |
2 |
0 |
0 |
0.028 |
25 |
|
[GOL]D:405 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
13080 |
82.1 |
-0.7 |
0.504 |
2 |
0 |
0 |
0.028 |
Average: |
85.6 |
-0.7 |
0.495 |
2 |
0 |
0 |
0.028 |
19 |
26 |
|
[GOL]A:408 |
4 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12939 |
84.4 |
-0.9 |
0.438 |
2 |
0 |
0 |
0.013 |
20 |
27 |
|
[GOL]B:404 |
4 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
12910 |
80.5 |
0.7 |
0.718 |
2 |
0 |
0 |
0.003 |
21 |
28 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12910 |
79.5 |
-10.9 |
0.897 |
6 |
0 |
0 |
0.233 |
22 |
29 |
|
[SO4]C:401 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12959 |
78.7 |
-10.8 |
0.877 |
4 |
0 |
0 |
0.094 |
23 |
30 |
|
[SO4]A:401 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12939 |
78.6 |
-11.1 |
0.848 |
6 |
0 |
0 |
0.104 |
24 |
31 |
|
[SO4]D:402 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
13080 |
77.8 |
-10.8 |
0.899 |
4 |
0 |
0 |
0.222 |
25 |
32 |
|
[GOL]C:407 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12959 |
77.2 |
-0.6 |
0.514 |
2 |
0 |
0 |
0.011 |
26 |
33 |
|
[GOL]D:404 |
4 |
1 |
221 |
f |
A |
x,y,z-1 |
1_554 |
9 |
4 |
12939 |
75.5 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.002 |
27 |
34 |
|
[GOL]A:407 |
5 |
1 |
220 |
◊ |
B |
-x,y,-z |
2_555 |
8 |
4 |
12910 |
69.1 |
0.6 |
0.667 |
4 |
0 |
0 |
0.000 |
28 |
35 |
|
[GOL]C:406 |
6 |
1 |
220 |
◊ |
D |
-x,y,-z-1 |
2_554 |
9 |
4 |
13080 |
67.5 |
1.1 |
0.796 |
5 |
0 |
0 |
0.000 |
29 |
36 |
|
[SO4]C:403 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
12959 |
64.7 |
-9.1 |
0.603 |
1 |
0 |
0 |
0.071 |
30 |
37 |
|
B |
8 |
3 |
12910 |
◊ |
[SO4]C:404 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
186 |
63.7 |
-9.0 |
0.622 |
1 |
0 |
0 |
0.071 |
38 |
|
[SO4]A:402 |
5 |
1 |
186 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
8 |
3 |
13080 |
62.7 |
-8.8 |
0.631 |
1 |
0 |
0 |
0.071 |
Average: |
63.2 |
-8.9 |
0.627 |
1 |
0 |
0 |
0.071 |
31 |
39 |
|
[GOL]A:406 |
4 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
12959 |
60.9 |
0.7 |
0.659 |
2 |
0 |
0 |
0.001 |
32 |
40 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12939 |
60.1 |
-8.4 |
0.638 |
1 |
0 |
0 |
0.066 |
33 |
41 |
|
[SO4]A:402 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
12939 |
60.0 |
-8.1 |
0.672 |
1 |
0 |
0 |
0.095 |
42 |
|
[SO4]C:404 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
12959 |
59.1 |
-7.9 |
0.661 |
1 |
0 |
0 |
0.095 |
Average: |
59.6 |
-8.0 |
0.667 |
1 |
0 |
0 |
0.095 |
34 |
43 |
|
[SO4]A:403 |
4 |
1 |
186 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
8 |
2 |
13080 |
59.1 |
-7.8 |
0.692 |
2 |
0 |
0 |
0.065 |
35 |
44 |
|
B |
9 |
3 |
12910 |
◊ |
[SO4]C:403 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
186 |
59.0 |
-7.8 |
0.689 |
1 |
0 |
0 |
0.062 |
36 |
45 |
|
[GOL]A:406 |
6 |
1 |
222 |
◊ |
B |
-x,y,-z |
2_555 |
10 |
3 |
12910 |
54.1 |
0.3 |
0.649 |
1 |
0 |
0 |
0.000 |
37 |
46 |
|
D |
6 |
4 |
13080 |
◊ |
A |
-x,y,-z-1 |
2_554 |
7 |
5 |
12939 |
47.0 |
0.7 |
0.794 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
6 |
4 |
12959 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
3 |
12910 |
40.9 |
0.7 |
0.802 |
0 |
0 |
0 |
0.000 |
Average: |
43.9 |
0.7 |
0.798 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[SO4]C:404 |
4 |
1 |
186 |
f |
[SO4]C:403 |
x,y,z |
1_555 |
4 |
1 |
186 |
43.6 |
-9.8 |
0.998 |
0 |
0 |
0 |
0.073 |
39 |
49 |
|
[SO4]A:403 |
4 |
1 |
186 |
f |
[SO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
186 |
42.0 |
-9.4 |
0.998 |
0 |
0 |
0 |
0.071 |
40 |
50 |
|
[GOL]D:403 |
3 |
1 |
219 |
◊ |
C |
-x,y,-z-1 |
2_554 |
3 |
1 |
12959 |
36.9 |
-0.2 |
0.447 |
2 |
0 |
0 |
0.000 |
41 |
51 |
|
[GOL]B:403 |
4 |
1 |
219 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
1 |
12939 |
36.8 |
-0.2 |
0.401 |
1 |
0 |
0 |
0.000 |
42 |
52 |
|
[GOL]B:405 |
3 |
1 |
222 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
5 |
2 |
12959 |
30.0 |
0.0 |
0.531 |
1 |
0 |
0 |
0.003 |
43 |
53 |
|
[GOL]B:405 |
1 |
1 |
222 |
◊ |
B |
-x,y,-z+1 |
2_556 |
1 |
1 |
12910 |
3.0 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
[GOL]C:407 |
1 |
1 |
219 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
12910 |
1.3 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
|