## |
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 |
250 |
58 |
12165 |
◊ |
A |
x,y,z |
1_555 |
259 |
69 |
11118 |
2320.6 |
-23.0 |
0.114 |
36 |
8 |
0 |
0.627 |
2 |
|
B |
84 |
22 |
12165 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
85 |
22 |
12165 |
834.1 |
-12.4 |
0.042 |
4 |
0 |
0 |
0.134 |
3 |
|
C |
56 |
12 |
2123 |
◊ |
B |
x,y,z |
1_555 |
85 |
24 |
12165 |
625.0 |
-8.7 |
0.328 |
8 |
0 |
0 |
0.148 |
4 |
|
C |
60 |
13 |
2123 |
◊ |
A |
x,y,z |
1_555 |
63 |
22 |
11118 |
586.1 |
-5.5 |
0.619 |
12 |
0 |
0 |
0.201 |
5 |
|
D |
49 |
16 |
10524 |
◊ |
B |
x,y,z |
1_555 |
51 |
11 |
12165 |
426.4 |
-2.2 |
0.433 |
5 |
5 |
0 |
0.092 |
6 |
|
B |
41 |
13 |
12165 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
41 |
15 |
10524 |
398.9 |
-2.3 |
0.337 |
5 |
0 |
0 |
0.000 |
7 |
|
D |
39 |
11 |
10524 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
45 |
15 |
11118 |
396.9 |
-3.1 |
0.329 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
24 |
5 |
12165 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
27 |
10 |
10524 |
227.2 |
-0.7 |
0.350 |
5 |
0 |
0 |
0.000 |
9 |
|
B |
23 |
8 |
12165 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
29 |
12 |
11118 |
197.7 |
0.7 |
0.742 |
5 |
3 |
0 |
0.000 |
10 |
|
A |
18 |
3 |
11118 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
8 |
12165 |
160.8 |
-1.2 |
0.486 |
1 |
0 |
0 |
0.000 |
11 |
|
A |
13 |
4 |
11118 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
6 |
10524 |
142.1 |
-0.7 |
0.379 |
1 |
0 |
0 |
0.000 |
12 |
|
[EPE]A:601 |
12 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
11118 |
136.0 |
2.8 |
0.035 |
2 |
0 |
0 |
0.000 |
13 |
|
D |
21 |
5 |
10524 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
2123 |
130.9 |
-1.4 |
0.484 |
1 |
2 |
0 |
0.026 |
14 |
|
[SO4]A:802 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
11118 |
104.9 |
-15.6 |
0.710 |
2 |
0 |
0 |
0.305 |
15 |
|
[EPE]A:601 |
7 |
1 |
401 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
5 |
10524 |
104.0 |
3.5 |
0.406 |
0 |
0 |
0 |
0.000 |
16 |
|
[EPE]A:601 |
10 |
1 |
401 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
12165 |
95.6 |
1.4 |
0.033 |
0 |
0 |
0 |
0.000 |
17 |
|
[SO4]A:803 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11118 |
88.2 |
-10.8 |
0.864 |
3 |
0 |
0 |
0.225 |
18 |
|
B |
8 |
2 |
12165 |
◊ |
A |
-x+1,y,-z |
2_655 |
9 |
2 |
11118 |
83.0 |
-0.5 |
0.427 |
0 |
1 |
0 |
0.000 |
19 |
|
[DIO]A:701 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
12165 |
81.4 |
3.0 |
0.147 |
0 |
0 |
0 |
0.000 |
20 |
|
[SO4]D:801 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
10524 |
76.4 |
-11.0 |
0.687 |
2 |
0 |
0 |
0.211 |
21 |
|
[SO4]C:804 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
2123 |
74.3 |
-9.6 |
0.888 |
2 |
0 |
0 |
0.194 |
22 |
|
[DIO]A:701 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
2 |
11118 |
69.4 |
1.8 |
0.029 |
1 |
0 |
0 |
0.000 |
23 |
|
D |
6 |
3 |
10524 |
◊ |
D |
-x,y,-z |
2_555 |
6 |
3 |
10524 |
68.4 |
-1.6 |
0.131 |
0 |
0 |
0 |
0.000 |
24 |
|
[DIO]A:702 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11118 |
59.9 |
2.4 |
0.035 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
9 |
3 |
11118 |
◊ |
A |
-x+1,y,-z |
2_655 |
9 |
3 |
11118 |
57.3 |
0.8 |
0.798 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
9 |
5 |
11118 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
10 |
5 |
10524 |
54.3 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
27 |
|
[DIO]A:701 |
2 |
1 |
218 |
◊ |
A |
-x+1,y,-z |
2_655 |
4 |
1 |
11118 |
41.6 |
1.4 |
0.271 |
0 |
0 |
0 |
0.000 |
28 |
|
[SO4]C:804 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11118 |
37.0 |
-4.5 |
0.810 |
2 |
0 |
0 |
0.099 |
29 |
|
[ZN]D:501 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
6 |
4 |
10524 |
36.0 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.460 |
30 |
|
[EPE]A:601 |
4 |
1 |
401 |
f |
B |
-x+1,y,-z+1 |
2_656 |
7 |
3 |
12165 |
27.2 |
0.2 |
0.065 |
0 |
0 |
0 |
0.000 |
31 |
|
[ZN]D:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12165 |
26.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
32 |
|
B |
2 |
1 |
12165 |
x |
B |
x,y,z-1 |
1_554 |
2 |
1 |
12165 |
23.1 |
-0.7 |
0.197 |
0 |
0 |
0 |
0.000 |
33 |
|
[SO4]C:804 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
10524 |
15.3 |
-1.6 |
0.901 |
0 |
0 |
0 |
0.019 |
34 |
|
[SO4]D:801 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12165 |
10.7 |
-1.1 |
0.880 |
0 |
0 |
0 |
0.019 |
35 |
|
D |
2 |
2 |
10524 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11118 |
7.9 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
36 |
|
[DIO]A:702 |
1 |
1 |
218 |
f |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
12165 |
2.9 |
0.2 |
0.889 |
0 |
0 |
0 |
0.000 |
|