## |
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 |
|
A |
102 |
29 |
20168 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
108 |
35 |
19893 |
859.3 |
-0.6 |
0.784 |
12 |
11 |
0 |
0.000 |
2 |
2 |
|
B |
68 |
20 |
19893 |
◊ |
A |
x,y,z |
1_555 |
59 |
19 |
20168 |
548.1 |
-3.9 |
0.412 |
7 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
52 |
15 |
20168 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
50 |
15 |
19893 |
468.5 |
-6.6 |
0.169 |
2 |
0 |
0 |
0.047 |
4 |
4 |
|
B |
35 |
13 |
19893 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
15 |
20168 |
270.8 |
-2.8 |
0.386 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
22 |
10 |
19893 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
26 |
10 |
20168 |
198.4 |
1.7 |
0.835 |
3 |
2 |
0 |
0.000 |
6 |
6 |
|
A |
27 |
10 |
20168 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
18 |
5 |
20168 |
175.3 |
-0.3 |
0.645 |
0 |
1 |
0 |
0.000 |
7 |
7 |
|
[SO4]B:606 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
19893 |
109.5 |
-14.5 |
0.932 |
6 |
0 |
0 |
0.107 |
8 |
8 |
|
[SO4]A:605 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
20168 |
103.8 |
-17.4 |
0.477 |
8 |
0 |
0 |
0.131 |
9 |
9 |
|
B |
11 |
4 |
19893 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
13 |
5 |
20168 |
103.5 |
2.4 |
0.913 |
2 |
2 |
0 |
0.000 |
10 |
10 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
19893 |
102.4 |
-16.7 |
0.540 |
7 |
0 |
0 |
0.123 |
11 |
11 |
|
[SO4]A:606 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20168 |
99.3 |
-14.4 |
0.942 |
5 |
0 |
0 |
0.103 |
12 |
12 |
|
[SO4]B:607 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19893 |
93.1 |
-13.3 |
0.947 |
5 |
0 |
0 |
0.097 |
13 |
13 |
|
[SO4]A:604 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20168 |
69.3 |
-9.1 |
0.896 |
2 |
0 |
0 |
0.062 |
14 |
14 |
|
[SO4]B:605 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
19893 |
67.5 |
-9.6 |
0.776 |
2 |
0 |
0 |
0.066 |
15 |
15 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
20168 |
63.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
|
[MN]B:602 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
19893 |
62.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
63.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
17 |
|
[CL]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
20168 |
44.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.064 |
18 |
|
[CL]B:601 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
19893 |
42.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
43.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.064 |
17 |
19 |
|
B |
3 |
1 |
19893 |
x |
B |
x-1,y,z |
1_455 |
3 |
1 |
19893 |
40.7 |
0.6 |
0.832 |
1 |
2 |
0 |
0.000 |
20 |
|
A |
2 |
1 |
20168 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
20168 |
7.5 |
-0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
Average: |
24.1 |
0.3 |
0.630 |
1 |
1 |
0 |
0.000 |
18 |
21 |
|
[CL]A:601 |
1 |
1 |
125 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
19893 |
36.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.045 |
22 |
|
A |
3 |
2 |
20168 |
◊ |
[CL]B:601 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
35.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
35.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.045 |
19 |
23 |
|
A |
3 |
1 |
20168 |
◊ |
[CL]B:601 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
125 |
19.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[CL]A:601 |
1 |
1 |
125 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
19893 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[ZN]B:603 |
1 |
1 |
98 |
f |
[MN]B:602 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.037 |
21 |
26 |
|
[ZN]A:603 |
1 |
1 |
98 |
f |
[MN]A:602 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.035 |
22 |
27 |
|
[SO4]B:606 |
2 |
1 |
184 |
f |
[SO4]B:604 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.4 |
-1.3 |
0.876 |
0 |
0 |
0 |
0.008 |
23 |
28 |
|
A |
1 |
1 |
20168 |
◊ |
[SO4]B:606 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
184 |
2.3 |
-0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
|