| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
338 |
90 |
17788 |
◊ |
A |
x,y,z |
1_555 |
339 |
90 |
17829 |
3283.5 |
-39.2 |
0.008 |
42 |
11 |
0 |
0.180 |
2 |
|
B |
49 |
16 |
17788 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
16 |
17829 |
475.0 |
1.3 |
0.763 |
7 |
2 |
0 |
0.000 |
3 |
|
B |
36 |
10 |
17788 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
34 |
9 |
17829 |
338.9 |
-2.3 |
0.310 |
1 |
0 |
0 |
0.000 |
4 |
|
B |
27 |
8 |
17788 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
21 |
9 |
17788 |
197.1 |
-2.2 |
0.305 |
2 |
2 |
0 |
0.000 |
5 |
|
B |
14 |
5 |
17788 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
8 |
17788 |
154.7 |
-0.2 |
0.583 |
2 |
0 |
0 |
0.000 |
6 |
|
[SO4]A:421 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
17829 |
106.9 |
-18.8 |
0.841 |
4 |
0 |
0 |
0.062 |
7 |
|
B |
13 |
6 |
17788 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
17 |
5 |
17829 |
102.3 |
-0.3 |
0.443 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
13 |
7 |
17829 |
x |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
14 |
6 |
17829 |
96.9 |
1.8 |
0.831 |
1 |
0 |
0 |
0.000 |
9 |
|
[SO4]A:420 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
17829 |
94.3 |
-15.0 |
0.711 |
2 |
0 |
0 |
0.048 |
10 |
|
[SO4]A:416 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17829 |
92.4 |
-17.3 |
0.675 |
6 |
0 |
0 |
0.060 |
11 |
|
[SO4]B:416 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
17788 |
91.5 |
-17.2 |
0.653 |
6 |
0 |
0 |
0.060 |
12 |
|
[SO4]A:422 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17829 |
90.2 |
-13.5 |
0.807 |
3 |
0 |
0 |
0.045 |
13 |
|
[SO4]B:415 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
17788 |
88.3 |
-11.6 |
0.843 |
5 |
0 |
0 |
0.042 |
14 |
|
[SO4]A:418 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17829 |
86.6 |
-12.4 |
0.788 |
4 |
0 |
0 |
0.043 |
15 |
|
[SO4]A:415 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17829 |
85.0 |
-11.2 |
0.857 |
5 |
0 |
0 |
0.041 |
16 |
|
[SO4]B:417 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17788 |
78.6 |
-13.6 |
0.552 |
3 |
0 |
0 |
0.045 |
17 |
|
[SO4]A:417 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17829 |
78.5 |
-13.0 |
0.679 |
5 |
0 |
0 |
0.046 |
18 |
|
[SO4]B:419 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17788 |
74.4 |
-10.0 |
0.700 |
0 |
0 |
0 |
0.030 |
19 |
|
[SO4]B:420 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17788 |
73.1 |
-10.1 |
0.769 |
4 |
0 |
0 |
0.036 |
20 |
|
B |
7 |
3 |
17788 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
17829 |
66.1 |
1.1 |
0.779 |
1 |
1 |
0 |
0.000 |
21 |
|
[SO4]A:419 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17829 |
65.8 |
-9.5 |
0.750 |
2 |
0 |
0 |
0.031 |
22 |
|
[SO4]B:417 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
17829 |
58.6 |
-7.6 |
0.810 |
1 |
0 |
0 |
0.024 |
23 |
|
[SO4]A:417 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
17788 |
57.0 |
-7.0 |
0.822 |
1 |
0 |
0 |
0.022 |
24 |
|
[SO4]B:418 |
4 |
1 |
185 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
17788 |
55.7 |
-7.3 |
0.728 |
0 |
0 |
0 |
0.022 |
25 |
|
[SO4]B:420 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17829 |
55.2 |
-6.5 |
0.932 |
1 |
0 |
0 |
0.021 |
26 |
|
[SO4]A:418 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17788 |
54.3 |
-6.1 |
0.946 |
3 |
0 |
0 |
0.023 |
27 |
|
[SO4]B:418 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
17788 |
53.6 |
-5.9 |
0.920 |
2 |
0 |
0 |
0.000 |
28 |
|
[SO4]A:415 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
17788 |
51.3 |
-6.9 |
0.799 |
3 |
0 |
0 |
0.025 |
29 |
|
[SO4]B:421 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17788 |
50.6 |
-5.3 |
0.938 |
2 |
0 |
0 |
0.000 |
30 |
|
[SO4]B:421 |
4 |
1 |
186 |
f |
A |
x-1,y,z |
1_455 |
11 |
3 |
17829 |
49.1 |
-6.8 |
0.664 |
0 |
0 |
0 |
0.021 |
31 |
|
[SO4]B:415 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17829 |
47.7 |
-6.4 |
0.815 |
3 |
0 |
0 |
0.023 |
32 |
|
B |
2 |
1 |
17788 |
◊ |
[SO4]A:419 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
185 |
39.6 |
-3.9 |
0.931 |
1 |
0 |
0 |
0.000 |
33 |
|
[SO4]B:419 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
17829 |
35.5 |
-4.5 |
0.544 |
0 |
0 |
0 |
0.014 |
34 |
|
B |
5 |
2 |
17788 |
◊ |
[SO4]B:421 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
186 |
34.0 |
-4.6 |
0.412 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
4 |
3 |
17788 |
◊ |
[SO4]A:420 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
20.0 |
-2.0 |
0.877 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
3 |
1 |
17788 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
2 |
1 |
17829 |
19.6 |
0.4 |
0.792 |
0 |
0 |
0 |
0.000 |
37 |
|
[SO4]B:416 |
3 |
1 |
185 |
f |
[SO4]B:415 |
x,y,z |
1_555 |
4 |
1 |
185 |
19.0 |
-4.3 |
0.995 |
0 |
0 |
0 |
0.013 |
38 |
|
[SO4]A:416 |
2 |
1 |
184 |
f |
[SO4]A:415 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.5 |
-4.2 |
0.976 |
0 |
0 |
0 |
0.013 |
39 |
|
[SO4]B:416 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17829 |
14.1 |
-2.0 |
0.621 |
0 |
0 |
0 |
0.006 |
40 |
|
A |
6 |
2 |
17829 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
17788 |
12.3 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
41 |
|
[SO4]A:416 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
17788 |
11.9 |
-1.7 |
0.672 |
0 |
0 |
0 |
0.005 |
42 |
|
A |
2 |
1 |
17829 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
17788 |
9.1 |
0.3 |
0.774 |
0 |
0 |
0 |
0.000 |
43 |
|
[SO4]B:420 |
1 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
17788 |
3.0 |
-0.4 |
0.630 |
0 |
0 |
0 |
0.000 |
|