## |
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 |
158 |
39 |
7966 |
◊ |
A |
x,y,z |
1_555 |
151 |
38 |
8040 |
1403.5 |
-17.6 |
0.177 |
15 |
7 |
0 |
0.183 |
2 |
2 |
|
B |
47 |
15 |
7966 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
12 |
8040 |
412.2 |
-1.2 |
0.630 |
7 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
38 |
15 |
7966 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
38 |
10 |
7966 |
335.9 |
-0.2 |
0.730 |
7 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
30 |
8 |
8040 |
x |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
36 |
10 |
8040 |
291.5 |
-2.7 |
0.430 |
6 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
25 |
9 |
7966 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
30 |
11 |
8040 |
274.5 |
-2.3 |
0.470 |
5 |
0 |
0 |
0.000 |
6 |
6 |
|
D |
22 |
5 |
819 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
8040 |
239.3 |
-1.2 |
0.602 |
4 |
0 |
0 |
0.020 |
7 |
7 |
|
B |
38 |
15 |
7966 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
25 |
7 |
8040 |
239.1 |
-0.5 |
0.679 |
2 |
0 |
0 |
0.001 |
8 |
8 |
|
D |
17 |
5 |
819 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
7966 |
176.3 |
-2.8 |
0.404 |
0 |
0 |
0 |
0.020 |
9 |
9 |
|
A |
17 |
6 |
8040 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
21 |
7 |
7966 |
151.4 |
-2.3 |
0.358 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[45W]D:6 |
8 |
1 |
302 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
819 |
106.4 |
-1.3 |
0.755 |
0 |
0 |
0 |
0.100 |
11 |
11 |
|
[SO4]B:304 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
7966 |
102.1 |
-14.1 |
0.890 |
4 |
0 |
0 |
0.114 |
12 |
12 |
|
[SO4]A:1004 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8040 |
101.2 |
-12.6 |
0.914 |
3 |
0 |
0 |
0.100 |
13 |
13 |
|
[SO4]B:305 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
7966 |
79.3 |
-11.7 |
0.814 |
3 |
0 |
0 |
0.094 |
14 |
14 |
|
B |
9 |
2 |
7966 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
7966 |
76.6 |
-1.0 |
0.435 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[SO4]A:1005 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8040 |
73.1 |
-11.3 |
0.726 |
1 |
0 |
0 |
0.085 |
16 |
16 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
8040 |
54.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.137 |
17 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
7966 |
52.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
53.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.137 |
17 |
18 |
|
D |
3 |
1 |
819 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
3 |
7966 |
51.4 |
0.3 |
0.674 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[CD]A:1001 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8040 |
47.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.078 |
20 |
|
[CD]B:301 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
7966 |
37.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
42.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.078 |
19 |
21 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
8040 |
42.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.075 |
22 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
7966 |
36.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
39.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.075 |
20 |
23 |
|
[SO4]B:304 |
4 |
1 |
186 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
7966 |
39.5 |
-2.8 |
0.984 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
B |
4 |
2 |
7966 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
819 |
36.9 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[CD]B:301 |
1 |
1 |
112 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
8040 |
31.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.002 |
23 |
26 |
|
[SO4]B:305 |
3 |
1 |
188 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
8040 |
25.0 |
-3.7 |
0.624 |
0 |
0 |
0 |
0.003 |
24 |
27 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1002 |
x,y,z |
1_555 |
1 |
1 |
112 |
24.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
28 |
|
[CD]B:302 |
1 |
1 |
112 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
8040 |
22.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.001 |
26 |
29 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:302 |
x,y,z |
1_555 |
1 |
1 |
112 |
21.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.028 |
27 |
30 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
18.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.021 |
28 |
31 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.015 |
29 |
32 |
|
[45W]D:6 |
3 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7966 |
12.6 |
-0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[SO4]A:1005 |
1 |
1 |
187 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
12.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.019 |
31 |
34 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
8040 |
7.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[SO4]B:305 |
1 |
1 |
188 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
33 |
36 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
3.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
34 |
37 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
3.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
|