## |
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 |
|
D |
247 |
43 |
5397 |
◊ |
B |
x,y,z |
1_555 |
354 |
88 |
11218 |
2981.3 |
-30.1 |
0.474 |
64 |
6 |
0 |
0.546 |
2 |
|
C |
245 |
43 |
5463 |
◊ |
A |
x,y,z |
1_555 |
344 |
87 |
11065 |
2907.1 |
-31.3 |
0.422 |
59 |
5 |
0 |
0.546 |
Average: |
2944.2 |
-30.7 |
0.448 |
62 |
6 |
0 |
0.546 |
2 |
3 |
|
A |
86 |
24 |
11065 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
87 |
24 |
11065 |
732.8 |
3.9 |
0.937 |
10 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
70 |
22 |
11218 |
◊ |
B |
x,-y-1,-z |
4_545 |
70 |
22 |
11218 |
646.9 |
3.3 |
0.887 |
8 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
59 |
18 |
11218 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
59 |
19 |
11065 |
576.8 |
-7.3 |
0.224 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
53 |
18 |
11218 |
◊ |
A |
x,y,z |
1_555 |
61 |
17 |
11065 |
554.9 |
-6.1 |
0.296 |
2 |
0 |
0 |
0.000 |
Average: |
565.8 |
-6.7 |
0.260 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
[431]A:1203 |
18 |
1 |
427 |
f |
A |
x,y,z |
1_555 |
54 |
17 |
11065 |
302.8 |
-5.1 |
0.461 |
2 |
0 |
0 |
0.061 |
8 |
|
[431]B:1203 |
18 |
1 |
423 |
f |
B |
x,y,z |
1_555 |
50 |
16 |
11218 |
295.3 |
-5.3 |
0.426 |
3 |
0 |
0 |
0.061 |
Average: |
299.1 |
-5.2 |
0.444 |
3 |
0 |
0 |
0.061 |
6 |
9 |
|
D |
24 |
8 |
5397 |
◊ |
D |
x,-y-1,-z |
4_545 |
24 |
8 |
5397 |
302.0 |
-0.7 |
0.802 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
20 |
9 |
5463 |
◊ |
C |
-x-1,y,-z+1/2 |
3_455 |
20 |
9 |
5463 |
168.9 |
3.4 |
0.959 |
6 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
16 |
7 |
5397 |
◊ |
B |
x,-y-1,-z |
4_545 |
14 |
6 |
11218 |
141.7 |
-1.9 |
0.341 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
C |
12 |
6 |
5463 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
15 |
4 |
11065 |
138.9 |
-2.5 |
0.282 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[PEG]A:1205 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
11065 |
137.2 |
4.3 |
0.494 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[SO4]B:1201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11218 |
115.8 |
-17.5 |
0.700 |
6 |
0 |
0 |
0.185 |
12 |
15 |
|
[SO4]A:1201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11065 |
99.9 |
-15.0 |
0.876 |
5 |
0 |
0 |
0.162 |
13 |
16 |
|
B |
12 |
5 |
11218 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
7 |
3 |
5463 |
88.2 |
-0.9 |
0.481 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
5 |
3 |
5397 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
11065 |
73.2 |
-0.8 |
0.450 |
0 |
0 |
0 |
0.000 |
Average: |
80.7 |
-0.9 |
0.466 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[GOL]C:1201 |
6 |
1 |
220 |
f |
C |
-x-1,y,-z+1/2 |
3_455 |
16 |
6 |
5463 |
83.1 |
-0.2 |
0.608 |
2 |
0 |
0 |
0.010 |
15 |
19 |
|
A |
12 |
4 |
11065 |
◊ |
A |
x,-y,-z |
4_555 |
12 |
4 |
11065 |
80.5 |
0.9 |
0.795 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[SO4]A:1202 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11065 |
74.2 |
-8.5 |
0.935 |
2 |
0 |
0 |
0.088 |
17 |
21 |
|
[SO4]B:1202 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11218 |
71.1 |
-8.5 |
0.880 |
3 |
0 |
0 |
0.090 |
18 |
22 |
|
[GOL]C:1201 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
5463 |
67.4 |
0.1 |
0.675 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[SO4]B:1202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
5397 |
67.3 |
-9.4 |
0.835 |
1 |
0 |
0 |
0.100 |
20 |
24 |
|
[GOL]C:1201 |
6 |
1 |
220 |
◊ |
[GOL]C:1201 |
-x-1,y,-z+1/2 |
3_455 |
6 |
1 |
220 |
66.0 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]A:1202 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
5463 |
64.6 |
-9.5 |
0.784 |
1 |
0 |
0 |
0.093 |
22 |
26 |
|
C |
3 |
1 |
5463 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
8 |
3 |
11218 |
61.7 |
-1.5 |
0.203 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[PEG]A:1205 |
6 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
5463 |
59.5 |
1.8 |
0.296 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
D |
3 |
1 |
5397 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
7 |
3 |
11065 |
56.3 |
-1.7 |
0.193 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
C |
3 |
1 |
5463 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11218 |
53.1 |
-0.6 |
0.348 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
2 |
1 |
5397 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
11065 |
39.8 |
-0.4 |
0.350 |
0 |
0 |
0 |
0.000 |
Average: |
46.5 |
-0.5 |
0.349 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[431]B:1203 |
2 |
1 |
423 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
5397 |
38.8 |
-0.8 |
0.522 |
0 |
0 |
0 |
0.008 |
32 |
|
[431]A:1203 |
2 |
1 |
427 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
5463 |
38.0 |
-0.8 |
0.579 |
0 |
0 |
0 |
0.008 |
Average: |
38.4 |
-0.8 |
0.550 |
0 |
0 |
0 |
0.008 |
27 |
33 |
|
B |
7 |
2 |
11218 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
11065 |
37.1 |
0.3 |
0.718 |
1 |
1 |
0 |
0.000 |
34 |
|
B |
2 |
1 |
11218 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
3 |
1 |
11065 |
32.9 |
0.5 |
0.832 |
1 |
1 |
0 |
0.000 |
Average: |
35.0 |
0.4 |
0.775 |
1 |
1 |
0 |
0.000 |
28 |
35 |
|
B |
4 |
1 |
11218 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
4 |
1 |
11218 |
35.3 |
-1.1 |
0.221 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[SO4]A:1201 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
5463 |
31.0 |
-3.6 |
0.859 |
0 |
0 |
0 |
0.034 |
30 |
37 |
|
[PEG]A:1205 |
3 |
1 |
262 |
f |
A |
-x-1,y,-z+1/2 |
3_455 |
4 |
1 |
11065 |
28.5 |
-0.4 |
0.203 |
0 |
0 |
0 |
0.004 |
31 |
38 |
|
[SO4]B:1201 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5397 |
20.0 |
-2.4 |
0.823 |
0 |
0 |
0 |
0.022 |
32 |
39 |
|
[SO4]A:1201 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11218 |
10.5 |
-1.1 |
0.810 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[SO4]B:1201 |
1 |
1 |
184 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
11065 |
7.0 |
-0.8 |
0.799 |
0 |
0 |
0 |
0.000 |
|