| ## |
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 |
|
D |
137 |
34 |
10495 |
◊ |
B |
x,y,z |
1_555 |
130 |
34 |
10471 |
1254.9 |
-3.8 |
0.454 |
9 |
9 |
0 |
0.107 |
2 |
|
C |
129 |
35 |
10412 |
◊ |
A |
x,y,z |
1_555 |
129 |
36 |
10498 |
1219.8 |
-5.3 |
0.406 |
11 |
9 |
0 |
0.107 |
| Average: |
1237.4 |
-4.6 |
0.430 |
10 |
9 |
0 |
0.107 |
| 2 |
3 |
|
B |
84 |
25 |
10471 |
◊ |
A |
x,y,z |
1_555 |
94 |
27 |
10498 |
783.3 |
-1.7 |
0.507 |
10 |
0 |
0 |
0.075 |
4 |
|
D |
95 |
28 |
10495 |
◊ |
C |
x,y,z |
1_555 |
86 |
24 |
10412 |
779.7 |
-4.6 |
0.392 |
6 |
0 |
0 |
0.075 |
| Average: |
781.5 |
-3.1 |
0.449 |
8 |
0 |
0 |
0.075 |
| 3 |
5 |
|
D |
49 |
16 |
10495 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
14 |
10412 |
422.0 |
-0.6 |
0.567 |
5 |
2 |
0 |
0.001 |
| 4 |
6 |
|
C |
33 |
9 |
10412 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
44 |
15 |
10498 |
327.3 |
-7.6 |
0.025 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
25 |
10 |
10495 |
x |
D |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
9 |
10495 |
248.7 |
1.6 |
0.763 |
5 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
27 |
8 |
10471 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
10 |
10498 |
235.3 |
-2.6 |
0.197 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
D |
21 |
6 |
10495 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
5 |
10498 |
196.8 |
-1.5 |
0.333 |
2 |
0 |
0 |
0.001 |
| 8 |
10 |
|
[SO3]D:1000 |
4 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10495 |
86.2 |
-1.9 |
0.215 |
0 |
0 |
0 |
0.020 |
| 9 |
11 |
|
[SO3]A:1000 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10498 |
84.9 |
-1.6 |
0.275 |
0 |
0 |
0 |
0.015 |
| 10 |
12 |
|
[SO4]C:1020 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
10412 |
78.4 |
-9.6 |
0.936 |
2 |
0 |
0 |
0.109 |
| 11 |
13 |
|
[SO4]D:1040 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
10495 |
74.4 |
-10.3 |
0.820 |
2 |
0 |
0 |
0.117 |
| 12 |
14 |
|
[SO4]A:1040 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10498 |
74.0 |
-10.8 |
0.821 |
2 |
0 |
0 |
0.108 |
| 13 |
15 |
|
[SO4]B:1010 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10471 |
73.1 |
-10.6 |
0.679 |
1 |
0 |
0 |
0.116 |
| 14 |
16 |
|
[SO4]A:1020 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10498 |
72.7 |
-9.8 |
0.846 |
3 |
0 |
0 |
0.103 |
| 15 |
17 |
|
[SO3]B:1000 |
4 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10471 |
71.3 |
-1.8 |
0.243 |
1 |
0 |
0 |
0.024 |
| 16 |
18 |
|
[SO3]A:227 |
3 |
1 |
174 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10412 |
70.5 |
-1.2 |
0.402 |
1 |
0 |
0 |
0.017 |
| 17 |
19 |
|
[SO4]D:1020 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
10412 |
69.8 |
-9.0 |
0.898 |
4 |
0 |
0 |
0.111 |
| 18 |
20 |
|
[SO4]B:1020 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10471 |
69.3 |
-8.4 |
0.944 |
2 |
0 |
0 |
0.098 |
| 19 |
21 |
|
[SO4]B:1040 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10471 |
69.1 |
-10.1 |
0.717 |
3 |
0 |
0 |
0.120 |
| 20 |
22 |
|
[SO4]D:1020 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
10495 |
69.1 |
-10.1 |
0.619 |
1 |
0 |
0 |
0.109 |
| 21 |
23 |
|
[SO4]D:1010 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10495 |
64.3 |
-8.8 |
0.682 |
3 |
0 |
0 |
0.106 |
| 22 |
24 |
|
[SO4]A:1010 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10498 |
63.6 |
-8.9 |
0.614 |
1 |
0 |
0 |
0.087 |
| 23 |
25 |
|
[SO4]C:1040 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10412 |
63.2 |
-8.2 |
0.790 |
1 |
0 |
0 |
0.089 |
| 24 |
26 |
|
[SO4]D:1030 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10495 |
62.5 |
-8.4 |
0.569 |
1 |
0 |
0 |
0.093 |
| 25 |
27 |
|
[SO4]A:1030 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10498 |
59.6 |
-8.0 |
0.542 |
1 |
0 |
0 |
0.079 |
| 26 |
28 |
|
[SO4]A:1020 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
10471 |
59.2 |
-7.9 |
0.720 |
1 |
0 |
0 |
0.077 |
| 27 |
29 |
|
[SO4]B:1030 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
10471 |
59.2 |
-8.1 |
0.504 |
2 |
0 |
0 |
0.094 |
| 28 |
30 |
|
[SO4]C:1030 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
10412 |
55.5 |
-7.6 |
0.538 |
1 |
0 |
0 |
0.083 |
| 29 |
31 |
|
[SO4]B:1020 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
10498 |
55.0 |
-7.6 |
0.627 |
1 |
0 |
0 |
0.075 |
| 30 |
32 |
|
D |
9 |
5 |
10495 |
◊ |
[SO4]C:1040 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
185 |
53.7 |
-6.9 |
0.534 |
0 |
0 |
0 |
0.003 |
| 31 |
33 |
|
[SO4]C:1040 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10498 |
51.6 |
-6.7 |
0.660 |
1 |
0 |
0 |
0.066 |
| 32 |
34 |
|
[SO4]C:1020 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10495 |
47.2 |
-6.5 |
0.649 |
1 |
0 |
0 |
0.071 |
| 33 |
35 |
|
[SO4]A:1040 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
10412 |
44.5 |
-5.8 |
0.609 |
1 |
0 |
0 |
0.057 |
| 34 |
36 |
|
[SO3]A:227 |
3 |
1 |
174 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10498 |
41.7 |
-0.6 |
0.369 |
0 |
0 |
0 |
0.006 |
| 35 |
37 |
|
[SO3]B:1000 |
4 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
10495 |
40.1 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.003 |
| 36 |
38 |
|
[SO4]B:1040 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10495 |
39.3 |
-5.0 |
0.491 |
0 |
0 |
0 |
0.052 |
| 37 |
39 |
|
[SO4]D:1040 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10471 |
39.2 |
-5.2 |
0.535 |
1 |
0 |
0 |
0.060 |
| 38 |
40 |
|
[SO3]A:1000 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10412 |
38.2 |
-0.1 |
0.336 |
0 |
0 |
0 |
0.001 |
| 39 |
41 |
|
[SO3]D:1000 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10471 |
28.8 |
-0.0 |
0.420 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
D |
2 |
2 |
10495 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10498 |
15.1 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
2 |
2 |
10412 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10471 |
1.3 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
| Average: |
8.2 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
B |
4 |
2 |
10471 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
10412 |
10.1 |
-0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[SO4]D:1020 |
1 |
1 |
185 |
f |
[SO4]C:1020 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.0 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.007 |
|