## |
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 |
65 |
18 |
10124 |
◊ |
A |
x,y,z |
1_555 |
66 |
18 |
10031 |
638.3 |
-3.8 |
0.206 |
10 |
4 |
0 |
0.063 |
2 |
2 |
|
B |
51 |
19 |
10124 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
45 |
10 |
10124 |
429.1 |
-0.6 |
0.476 |
7 |
0 |
0 |
0.000 |
3 |
|
A |
39 |
10 |
10031 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
50 |
19 |
10031 |
403.8 |
1.1 |
0.599 |
9 |
0 |
0 |
0.000 |
Average: |
416.5 |
0.3 |
0.538 |
8 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
25 |
8 |
10124 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
33 |
10 |
10031 |
301.3 |
0.2 |
0.484 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
29 |
9 |
10124 |
x |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
28 |
8 |
10124 |
256.8 |
3.7 |
0.871 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
25 |
7 |
10031 |
◊ |
A |
-x+1,-y,z |
2_655 |
25 |
7 |
10031 |
220.5 |
0.5 |
0.578 |
6 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
21 |
9 |
10031 |
x |
A |
-x+3/2,y-1/2,-z |
3_645 |
22 |
7 |
10031 |
206.8 |
2.6 |
0.785 |
5 |
1 |
0 |
0.000 |
7 |
8 |
|
A |
20 |
5 |
10031 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
20 |
5 |
10031 |
187.7 |
1.5 |
0.720 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
[SO4]B:232 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
10124 |
123.7 |
-19.6 |
0.624 |
5 |
0 |
0 |
0.156 |
9 |
10 |
|
[SO4]A:233 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
10031 |
119.5 |
-19.1 |
0.622 |
5 |
0 |
0 |
0.153 |
10 |
11 |
|
B |
12 |
4 |
10124 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
4 |
10031 |
117.6 |
0.6 |
0.640 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
9 |
4 |
10124 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
3 |
10031 |
105.6 |
-0.6 |
0.400 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
B |
9 |
4 |
10124 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
6 |
10031 |
74.6 |
-0.7 |
0.399 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[IOD]A:228 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
10031 |
69.4 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
|
[IOD]B:228 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
10124 |
69.3 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
69.3 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[CL]A:231 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
10031 |
50.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.137 |
17 |
|
[CL]B:230 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
10124 |
49.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
49.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.137 |
15 |
18 |
|
[CL]A:230 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10031 |
47.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.095 |
19 |
|
[CL]A:230 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
10124 |
46.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
47.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.095 |
16 |
20 |
|
[NA]B:231 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
10 |
10124 |
44.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.121 |
21 |
|
[NA]A:232 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
10031 |
44.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
44.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.121 |
17 |
22 |
|
[CA]B:229 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
10124 |
44.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.173 |
23 |
|
[CA]A:229 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
10031 |
44.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.173 |
Average: |
44.3 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.173 |
18 |
24 |
|
[NA]A:232 |
1 |
1 |
125 |
f |
[CL]A:231 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.038 |
19 |
25 |
|
[NA]B:231 |
1 |
1 |
125 |
f |
[CL]B:230 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.037 |
20 |
26 |
|
[NA]A:232 |
1 |
1 |
125 |
f |
[IOD]A:228 |
x,y,z |
1_555 |
1 |
1 |
144 |
17.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.011 |
21 |
27 |
|
[NA]B:231 |
1 |
1 |
125 |
f |
[IOD]B:228 |
x,y,z |
1_555 |
1 |
1 |
144 |
17.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
28 |
|
[CL]B:230 |
1 |
1 |
125 |
f |
[CA]B:229 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
23 |
29 |
|
[CL]A:231 |
1 |
1 |
125 |
f |
[CA]A:229 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
24 |
30 |
|
B |
2 |
1 |
10124 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
1 |
10124 |
1.2 |
0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
|