## |
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 |
|
B |
153 |
41 |
8542 |
◊ |
A |
x,y,z |
1_555 |
162 |
42 |
8570 |
1400.2 |
-18.9 |
0.254 |
20 |
2 |
0 |
0.163 |
2 |
2 |
|
A |
51 |
12 |
8570 |
x |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
53 |
17 |
8570 |
441.6 |
-5.7 |
0.358 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
55 |
20 |
8542 |
x |
B |
-y,x-y+1,z+1/3 |
2_565 |
48 |
12 |
8542 |
427.8 |
-5.4 |
0.384 |
3 |
0 |
0 |
0.000 |
Average: |
434.7 |
-5.5 |
0.371 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
25 |
8 |
8542 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
21 |
10 |
8570 |
237.5 |
-3.2 |
0.282 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
22 |
10 |
8542 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
23 |
8 |
8570 |
236.3 |
-3.2 |
0.304 |
1 |
0 |
0 |
0.000 |
Average: |
236.9 |
-3.2 |
0.293 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
G |
20 |
6 |
1042 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
8542 |
221.6 |
-0.3 |
0.684 |
7 |
1 |
0 |
0.038 |
7 |
|
H |
19 |
5 |
1003 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
8570 |
216.5 |
-0.4 |
0.659 |
7 |
1 |
0 |
0.038 |
Average: |
219.1 |
-0.4 |
0.672 |
7 |
1 |
0 |
0.038 |
5 |
8 |
|
H |
18 |
4 |
1003 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
8542 |
193.6 |
-3.4 |
0.307 |
1 |
0 |
0 |
0.042 |
9 |
|
G |
19 |
4 |
1042 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
8570 |
188.5 |
-3.7 |
0.284 |
1 |
0 |
0 |
0.042 |
Average: |
191.0 |
-3.6 |
0.295 |
1 |
0 |
0 |
0.042 |
6 |
10 |
|
A |
12 |
4 |
8570 |
◊ |
B |
-y+1,x-y+1,z-2/3 |
2_664 |
14 |
4 |
8542 |
104.2 |
-1.2 |
0.449 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
12 |
3 |
8570 |
◊ |
B |
-y,x-y+1,z-2/3 |
2_564 |
12 |
4 |
8542 |
103.7 |
-1.2 |
0.439 |
0 |
0 |
0 |
0.000 |
Average: |
104.0 |
-1.2 |
0.444 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[SO4]A:4 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8570 |
103.3 |
-14.3 |
0.821 |
3 |
0 |
0 |
0.091 |
8 |
13 |
|
[SO4]B:3 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8542 |
101.6 |
-13.9 |
0.853 |
3 |
0 |
0 |
0.088 |
9 |
14 |
|
G |
9 |
3 |
1042 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
8 |
3 |
8570 |
95.3 |
-2.2 |
0.252 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
8 |
3 |
8542 |
◊ |
H |
-y,x-y+1,z+1/3 |
2_565 |
7 |
3 |
1003 |
74.2 |
-2.1 |
0.233 |
0 |
0 |
0 |
0.000 |
Average: |
84.8 |
-2.1 |
0.243 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[SO4]B:8 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8542 |
94.2 |
-14.4 |
0.755 |
1 |
0 |
0 |
0.086 |
11 |
17 |
|
[SO4]A:7 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
8570 |
93.3 |
-14.3 |
0.755 |
2 |
0 |
0 |
0.088 |
12 |
18 |
|
[SO4]A:2 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8570 |
77.6 |
-10.4 |
0.908 |
4 |
0 |
0 |
0.071 |
13 |
19 |
|
[SO4]A:5 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8570 |
77.4 |
-11.4 |
0.757 |
7 |
0 |
0 |
0.084 |
14 |
20 |
|
[SO4]B:6 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8542 |
76.9 |
-11.3 |
0.775 |
7 |
0 |
0 |
0.084 |
15 |
21 |
|
[SO4]B:1 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8542 |
76.7 |
-10.3 |
0.916 |
4 |
0 |
0 |
0.070 |
16 |
22 |
|
[SO4]B:1 |
5 |
1 |
185 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
7 |
2 |
8542 |
60.7 |
-8.0 |
0.850 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8570 |
57.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.095 |
24 |
|
[CL]B:2 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8542 |
57.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
57.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.095 |
18 |
25 |
|
A |
6 |
2 |
8570 |
◊ |
[SO4]A:2 |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
187 |
46.9 |
-6.3 |
0.770 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]B:8 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8570 |
39.5 |
-4.0 |
0.952 |
2 |
0 |
0 |
0.028 |
20 |
27 |
|
[SO4]A:7 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8542 |
39.2 |
-4.0 |
0.952 |
2 |
0 |
0 |
0.029 |
21 |
28 |
|
B |
4 |
2 |
8542 |
◊ |
[SO4]A:5 |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
185 |
28.5 |
-3.5 |
0.815 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[CL]B:2 |
1 |
1 |
125 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
2 |
1 |
8570 |
24.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
2 |
1 |
8542 |
◊ |
[CL]A:1 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
125 |
23.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
24.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[SO4]B:6 |
2 |
1 |
184 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
4 |
2 |
8570 |
21.7 |
-2.6 |
0.835 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[SO4]B:8 |
1 |
1 |
186 |
◊ |
[SO4]A:7 |
x,y,z |
1_555 |
1 |
1 |
185 |
17.6 |
-4.2 |
0.800 |
0 |
0 |
0 |
0.025 |
25 |
33 |
|
[SO4]A:5 |
1 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
1042 |
14.0 |
-2.0 |
0.574 |
0 |
0 |
0 |
0.010 |
26 |
34 |
|
[SO4]B:6 |
1 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
1003 |
12.7 |
-1.7 |
0.632 |
0 |
0 |
0 |
0.009 |
27 |
35 |
|
H |
1 |
1 |
1003 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
8570 |
1.8 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
A |
1 |
1 |
8570 |
◊ |
G |
-y+1,x-y+1,z-2/3 |
2_664 |
1 |
1 |
1042 |
0.7 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
|