## |
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 |
291 |
71 |
16525 |
◊ |
A |
x,y,z |
1_555 |
297 |
74 |
15310 |
2737.1 |
-23.0 |
0.141 |
43 |
20 |
0 |
0.452 |
2 |
|
B |
130 |
30 |
16525 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
155 |
36 |
15310 |
1204.5 |
-11.4 |
0.210 |
10 |
0 |
0 |
0.230 |
3 |
|
A |
78 |
24 |
15310 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
78 |
24 |
15310 |
736.8 |
-1.1 |
0.668 |
18 |
10 |
0 |
0.043 |
4 |
|
B |
72 |
25 |
16525 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
72 |
25 |
16525 |
593.5 |
-0.6 |
0.724 |
10 |
6 |
0 |
0.024 |
5 |
|
B |
62 |
19 |
16525 |
◊ |
B |
x,-y,-z |
4_555 |
62 |
19 |
16525 |
588.9 |
-4.8 |
0.365 |
6 |
0 |
0 |
0.000 |
6 |
|
A |
43 |
14 |
15310 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
39 |
13 |
15310 |
364.3 |
-4.1 |
0.205 |
4 |
2 |
0 |
0.000 |
7 |
|
B |
35 |
11 |
16525 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
35 |
11 |
16525 |
348.1 |
1.6 |
0.835 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:409 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
15310 |
118.9 |
3.5 |
0.625 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]B:404 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
16525 |
115.8 |
3.9 |
0.702 |
2 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:405 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
16525 |
109.4 |
4.5 |
0.581 |
3 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
16525 |
101.9 |
2.7 |
0.470 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:410 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15310 |
101.3 |
2.2 |
0.322 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]B:406 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
16525 |
99.2 |
2.7 |
0.495 |
3 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:413 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
15310 |
98.3 |
2.3 |
0.355 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:411 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
15310 |
93.6 |
3.0 |
0.516 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:410 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16525 |
91.4 |
1.9 |
0.380 |
1 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
15310 |
90.5 |
2.3 |
0.291 |
4 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:408 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
16525 |
89.4 |
4.0 |
0.344 |
3 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15310 |
83.5 |
-9.4 |
0.957 |
5 |
0 |
0 |
0.169 |
20 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15310 |
83.4 |
-11.9 |
0.605 |
1 |
0 |
0 |
0.180 |
21 |
|
[EDO]A:406 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
15310 |
82.4 |
2.6 |
0.296 |
1 |
0 |
0 |
0.000 |
22 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
16525 |
80.8 |
-9.0 |
0.967 |
5 |
0 |
0 |
0.163 |
23 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15310 |
78.8 |
-11.3 |
0.631 |
0 |
0 |
0 |
0.164 |
24 |
|
[EDO]A:412 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15310 |
78.0 |
2.3 |
0.512 |
2 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:415 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
15310 |
77.9 |
1.6 |
0.670 |
2 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:414 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16525 |
75.7 |
1.6 |
0.230 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:414 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15310 |
75.5 |
1.8 |
0.407 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:407 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
15310 |
70.8 |
1.6 |
0.706 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:411 |
4 |
1 |
185 |
f |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
11 |
5 |
15310 |
57.3 |
0.4 |
0.546 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:407 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
16525 |
57.2 |
1.5 |
0.786 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:412 |
4 |
1 |
185 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
10 |
5 |
15310 |
55.2 |
1.4 |
0.242 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]B:407 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16525 |
54.2 |
2.1 |
0.947 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:408 |
4 |
1 |
185 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
5 |
4 |
16525 |
49.2 |
1.4 |
0.878 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]A:405 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15310 |
48.5 |
-6.2 |
0.844 |
1 |
0 |
0 |
0.097 |
35 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16525 |
48.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.114 |
36 |
|
[SO4]A:405 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
16525 |
47.8 |
-5.4 |
0.865 |
0 |
0 |
0 |
0.054 |
37 |
|
A |
5 |
2 |
15310 |
f |
[EDO]A:410 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
186 |
43.0 |
0.8 |
0.410 |
0 |
0 |
0 |
0.000 |
38 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
[EDO]B:409 |
x,y,z |
1_555 |
4 |
1 |
185 |
37.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
39 |
|
[EDO]A:415 |
4 |
1 |
186 |
f |
[SO4]A:405 |
x,y,z |
1_555 |
4 |
1 |
186 |
36.7 |
-3.3 |
0.999 |
1 |
0 |
0 |
0.054 |
40 |
|
[EDO]B:408 |
3 |
1 |
185 |
f |
[EDO]B:408 |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
185 |
34.0 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
41 |
|
[SO4]A:403 |
3 |
1 |
185 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
15310 |
32.9 |
-3.8 |
0.866 |
0 |
0 |
0 |
0.031 |
42 |
|
[FE]B:402 |
1 |
1 |
137 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.082 |
43 |
|
[EDO]A:413 |
1 |
1 |
187 |
f |
A |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
15310 |
19.1 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:412 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16525 |
17.0 |
0.6 |
0.864 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]B:410 |
2 |
1 |
185 |
f |
[SO4]B:403 |
x,y,z |
1_555 |
3 |
1 |
186 |
14.5 |
-1.3 |
0.996 |
0 |
0 |
0 |
0.019 |
46 |
|
[FE]B:402 |
1 |
1 |
137 |
f |
[EDO]B:409 |
x,y,z |
1_555 |
2 |
1 |
185 |
10.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
47 |
|
[EDO]A:415 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16525 |
10.9 |
0.4 |
0.902 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
2 |
2 |
16525 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
15310 |
10.6 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
49 |
|
[EDO]A:413 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16525 |
5.2 |
0.2 |
0.896 |
0 |
0 |
0 |
0.000 |
50 |
|
[SO4]B:403 |
1 |
1 |
186 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
16525 |
0.1 |
-0.0 |
0.809 |
0 |
0 |
0 |
0.000 |
|