## |
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 |
|
C |
242 |
59 |
11523 |
◊ |
A |
x,y,z |
1_555 |
242 |
58 |
11522 |
2417.1 |
-26.4 |
0.162 |
29 |
8 |
0 |
0.519 |
2 |
|
B |
239 |
59 |
11612 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
237 |
59 |
11612 |
2359.7 |
-24.1 |
0.293 |
30 |
6 |
0 |
0.519 |
Average: |
2388.4 |
-25.3 |
0.228 |
30 |
7 |
0 |
0.519 |
2 |
3 |
|
B |
79 |
22 |
11612 |
◊ |
A |
x,y,z |
1_555 |
79 |
23 |
11522 |
697.4 |
-5.3 |
0.545 |
11 |
4 |
0 |
0.000 |
4 |
|
C |
79 |
22 |
11523 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
78 |
22 |
11523 |
674.5 |
-5.8 |
0.476 |
6 |
2 |
0 |
0.000 |
Average: |
685.9 |
-5.5 |
0.511 |
9 |
3 |
0 |
0.000 |
3 |
5 |
|
A |
28 |
9 |
11522 |
◊ |
A |
x,-y,-z |
4_555 |
28 |
9 |
11522 |
259.7 |
-2.8 |
0.420 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
23 |
8 |
11523 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
6 |
11522 |
160.5 |
0.2 |
0.722 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
14 |
6 |
11523 |
◊ |
A |
x,-y-1,-z |
4_545 |
15 |
6 |
11522 |
140.8 |
1.4 |
0.847 |
3 |
4 |
0 |
0.000 |
6 |
8 |
|
[PEG]A:3004 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
11522 |
126.8 |
2.7 |
0.375 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[PEG]C:3005 |
7 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
11523 |
124.9 |
3.3 |
0.415 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[PEG]A:3001 |
6 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11522 |
104.1 |
2.3 |
0.326 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[SO4]A:1001 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
11522 |
102.6 |
-15.7 |
0.790 |
4 |
0 |
0 |
0.219 |
10 |
12 |
|
[PEG]C:3002 |
6 |
1 |
255 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11523 |
101.9 |
3.6 |
0.520 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[SO4]B:1002 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11612 |
92.3 |
-13.2 |
0.895 |
5 |
0 |
0 |
0.418 |
14 |
|
[SO4]C:1003 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
11523 |
88.9 |
-12.2 |
0.872 |
4 |
0 |
0 |
0.418 |
Average: |
90.6 |
-12.7 |
0.884 |
5 |
0 |
0 |
0.418 |
12 |
15 |
|
[PEG]B:3006 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11612 |
91.5 |
2.5 |
0.305 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[PEG]A:3007 |
6 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11522 |
75.2 |
2.0 |
0.308 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]C:1004 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
11523 |
67.3 |
-9.3 |
0.818 |
0 |
0 |
0 |
0.117 |
15 |
18 |
|
[PEG]A:3003 |
6 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11522 |
58.0 |
1.5 |
0.264 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]A:3003 |
5 |
1 |
257 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11523 |
55.1 |
1.6 |
0.318 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[SO4]C:1004 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11522 |
50.1 |
-6.7 |
0.663 |
0 |
0 |
0 |
0.084 |
18 |
21 |
|
[PEG]A:3003 |
5 |
1 |
257 |
f |
[PEG]A:3001 |
x,y,z |
1_555 |
3 |
1 |
256 |
47.1 |
2.5 |
0.196 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[PEG]C:3002 |
2 |
1 |
255 |
f |
[PEG]A:3003 |
x,y,z |
1_555 |
6 |
1 |
257 |
41.2 |
1.3 |
0.105 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[SO4]A:1001 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11523 |
39.2 |
-4.5 |
0.871 |
1 |
0 |
0 |
0.062 |
21 |
24 |
|
[SO4]B:1002 |
4 |
1 |
186 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
11612 |
37.5 |
-4.2 |
0.893 |
1 |
0 |
0 |
0.125 |
25 |
|
[SO4]C:1003 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11522 |
36.8 |
-4.2 |
0.831 |
1 |
0 |
0 |
0.125 |
Average: |
37.1 |
-4.2 |
0.862 |
1 |
0 |
0 |
0.125 |
22 |
26 |
|
[PEG]A:3007 |
3 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11612 |
28.9 |
0.3 |
0.267 |
1 |
0 |
0 |
0.004 |
23 |
27 |
|
A |
1 |
1 |
11522 |
◊ |
A |
x,-y-1,-z |
4_545 |
1 |
1 |
11522 |
10.9 |
0.3 |
0.838 |
0 |
0 |
0 |
0.000 |
|