## |
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 |
357 |
87 |
20863 |
◊ |
C |
x,y,z |
1_555 |
369 |
96 |
20609 |
3235.2 |
-48.3 |
0.005 |
0 |
0 |
0 |
0.391 |
2 |
|
B |
341 |
84 |
20014 |
◊ |
A |
x,y,z |
1_555 |
331 |
86 |
20472 |
2996.6 |
-44.6 |
0.006 |
0 |
0 |
0 |
0.391 |
Average: |
3115.9 |
-46.4 |
0.005 |
0 |
0 |
0 |
0.391 |
2 |
3 |
|
D |
41 |
12 |
20863 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
20472 |
311.6 |
-2.8 |
0.428 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
37 |
12 |
20472 |
◊ |
D |
x-1,y+1,z |
1_465 |
37 |
13 |
20863 |
311.2 |
2.1 |
0.886 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
30 |
9 |
20014 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
33 |
7 |
20863 |
265.0 |
0.6 |
0.739 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
33 |
11 |
20609 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
10 |
20472 |
238.9 |
0.8 |
0.779 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
D |
27 |
6 |
20863 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
8 |
20609 |
198.6 |
-0.8 |
0.563 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
C |
14 |
5 |
20609 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
20472 |
140.2 |
-0.6 |
0.563 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
14 |
7 |
20863 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
20014 |
133.2 |
-2.0 |
0.277 |
0 |
0 |
0 |
0.000 |
Average: |
136.7 |
-1.3 |
0.420 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
14 |
6 |
20609 |
x |
C |
x-1,y,z |
1_455 |
17 |
5 |
20609 |
123.8 |
-1.2 |
0.357 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[GOL]A:504 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20472 |
118.1 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[GOL]A:503 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
20472 |
113.2 |
-0.4 |
0.579 |
0 |
0 |
0 |
0.004 |
13 |
|
[GOL]D:503 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
20863 |
112.9 |
-0.4 |
0.558 |
0 |
0 |
0 |
0.004 |
Average: |
113.0 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.004 |
11 |
14 |
|
[GOL]C:503 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
20609 |
110.9 |
-0.2 |
0.569 |
0 |
0 |
0 |
0.001 |
12 |
15 |
|
[GOL]B:503 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
20014 |
109.3 |
-0.2 |
0.578 |
0 |
0 |
0 |
0.002 |
13 |
16 |
|
[FE]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
20014 |
72.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.226 |
17 |
|
[FE]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
20609 |
72.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.226 |
18 |
|
[FE]D:501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
20863 |
71.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.226 |
19 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
20472 |
71.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
72.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.226 |
14 |
20 |
|
[FE]B:502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
20014 |
72.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.223 |
21 |
|
[FE]A:502 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
7 |
5 |
20472 |
69.3 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.223 |
22 |
|
[FE]D:502 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
20863 |
69.1 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.223 |
23 |
|
[FE]C:502 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
5 |
3 |
20609 |
68.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.223 |
Average: |
69.7 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.223 |
15 |
24 |
|
[SO4]A:505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20472 |
69.3 |
-8.8 |
0.959 |
0 |
0 |
0 |
0.078 |
16 |
25 |
|
[SO4]C:504 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
20609 |
69.1 |
-9.0 |
0.953 |
0 |
0 |
0 |
0.068 |
17 |
26 |
|
[SO4]D:505 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
20863 |
69.0 |
-8.6 |
0.923 |
0 |
0 |
0 |
0.065 |
18 |
27 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20014 |
68.6 |
-8.7 |
0.956 |
0 |
0 |
0 |
0.076 |
19 |
28 |
|
[SO4]D:504 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
20863 |
68.2 |
-8.7 |
0.958 |
0 |
0 |
0 |
0.066 |
20 |
29 |
|
C |
7 |
3 |
20609 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
1 |
20472 |
64.0 |
-0.9 |
0.254 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[SO4]D:505 |
4 |
1 |
185 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
4 |
20609 |
48.0 |
-5.1 |
0.956 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
D |
7 |
4 |
20863 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
20014 |
37.9 |
0.7 |
0.790 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[SO4]D:505 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20609 |
37.5 |
-4.4 |
0.630 |
0 |
0 |
0 |
0.033 |
24 |
33 |
|
[GOL]A:503 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20014 |
18.3 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.001 |
25 |
34 |
|
[GOL]C:503 |
1 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20863 |
14.1 |
-0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[GOL]D:503 |
1 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20609 |
12.5 |
-0.0 |
0.472 |
0 |
0 |
0 |
0.000 |
36 |
|
[GOL]B:503 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20472 |
12.4 |
-0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
Average: |
12.5 |
-0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
C |
2 |
2 |
20609 |
◊ |
[GOL]A:504 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
221 |
9.9 |
0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
|