## |
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 |
135 |
35 |
11523 |
◊ |
A |
x,y,z |
1_555 |
137 |
35 |
11419 |
1308.5 |
-10.8 |
0.184 |
8 |
17 |
0 |
0.413 |
2 |
|
C |
132 |
35 |
11783 |
◊ |
B |
x,y,z |
1_555 |
137 |
35 |
11416 |
1297.7 |
-11.0 |
0.184 |
11 |
17 |
0 |
0.413 |
Average: |
1303.1 |
-10.9 |
0.184 |
10 |
17 |
0 |
0.413 |
2 |
3 |
|
C |
42 |
13 |
11783 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
42 |
13 |
11419 |
402.1 |
-2.1 |
0.357 |
0 |
6 |
0 |
0.000 |
4 |
|
B |
43 |
13 |
11416 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
38 |
13 |
11523 |
369.0 |
-3.8 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
385.5 |
-2.9 |
0.308 |
0 |
3 |
0 |
0.000 |
3 |
5 |
|
B |
42 |
16 |
11416 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
41 |
14 |
11783 |
375.2 |
2.0 |
0.737 |
0 |
1 |
0 |
0.000 |
6 |
|
D |
32 |
9 |
11523 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
34 |
14 |
11419 |
318.3 |
1.4 |
0.668 |
2 |
1 |
0 |
0.000 |
Average: |
346.7 |
1.7 |
0.703 |
1 |
1 |
0 |
0.000 |
4 |
7 |
|
C |
30 |
11 |
11783 |
◊ |
B |
x-1,y,z |
1_455 |
42 |
11 |
11416 |
325.8 |
-4.6 |
0.147 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[MER]B:301 |
26 |
1 |
581 |
cf |
B |
x,y,z |
1_555 |
39 |
15 |
11416 |
325.0 |
-2.0 |
0.466 |
4 |
0 |
0 |
0.074 |
9 |
|
[MER]A:301 |
26 |
1 |
580 |
cf |
A |
x,y,z |
1_555 |
37 |
15 |
11419 |
321.3 |
-1.3 |
0.504 |
4 |
0 |
0 |
0.074 |
Average: |
323.2 |
-1.6 |
0.485 |
4 |
0 |
0 |
0.074 |
6 |
10 |
|
D |
28 |
7 |
11523 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
10 |
11419 |
297.3 |
-5.1 |
0.101 |
1 |
2 |
0 |
0.000 |
7 |
11 |
|
[MER]C:301 |
25 |
1 |
552 |
cf |
C |
x,y,z |
1_555 |
43 |
16 |
11783 |
276.0 |
-2.2 |
0.555 |
5 |
0 |
0 |
0.074 |
8 |
12 |
|
[MER]D:301 |
24 |
1 |
563 |
cf |
D |
x,y,z |
1_555 |
39 |
15 |
11523 |
268.8 |
0.5 |
0.560 |
5 |
0 |
0 |
0.043 |
9 |
13 |
|
D |
23 |
9 |
11523 |
x |
D |
-x,y-1/2,-z |
2_545 |
26 |
8 |
11523 |
239.9 |
-2.0 |
0.309 |
0 |
1 |
0 |
0.000 |
14 |
|
C |
25 |
8 |
11783 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
21 |
8 |
11783 |
223.2 |
-2.8 |
0.218 |
0 |
1 |
0 |
0.000 |
Average: |
231.6 |
-2.4 |
0.263 |
0 |
1 |
0 |
0.000 |
10 |
15 |
|
B |
18 |
6 |
11416 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
6 |
11419 |
143.0 |
0.1 |
0.534 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
B |
14 |
4 |
11416 |
◊ |
[MER]D:301 |
-x,y-1/2,-z |
2_545 |
11 |
1 |
563 |
118.4 |
-2.8 |
0.267 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[MER]C:301 |
9 |
1 |
552 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
15 |
4 |
11419 |
112.0 |
-2.7 |
0.383 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[MER]B:301 |
11 |
1 |
581 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
9 |
5 |
11783 |
90.4 |
-2.6 |
0.422 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
9 |
5 |
11523 |
◊ |
[MER]A:301 |
-x,y-1/2,-z |
2_545 |
11 |
1 |
580 |
89.9 |
-2.6 |
0.389 |
1 |
0 |
0 |
0.000 |
Average: |
90.2 |
-2.6 |
0.405 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11416 |
82.1 |
-12.0 |
0.693 |
3 |
0 |
0 |
0.225 |
15 |
21 |
|
[SO4]B:302 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11416 |
79.1 |
-11.1 |
0.870 |
2 |
0 |
0 |
0.202 |
16 |
22 |
|
B |
9 |
2 |
11416 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
2 |
11419 |
77.5 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11419 |
69.8 |
-10.2 |
0.610 |
1 |
0 |
0 |
0.261 |
18 |
24 |
|
D |
6 |
2 |
11523 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
2 |
11783 |
66.4 |
1.5 |
0.834 |
1 |
2 |
0 |
0.000 |
19 |
25 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
11783 |
58.9 |
-6.5 |
0.803 |
0 |
0 |
0 |
0.109 |
20 |
26 |
|
[SO4]D:302 |
4 |
1 |
184 |
f |
[MER]D:301 |
x,y,z |
1_555 |
8 |
1 |
563 |
47.0 |
-5.8 |
0.743 |
0 |
0 |
0 |
0.141 |
21 |
27 |
|
[SO4]C:302 |
4 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
4 |
11416 |
46.0 |
-4.6 |
0.921 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[SO4]B:303 |
4 |
1 |
186 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
11783 |
34.3 |
-3.3 |
0.928 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
D |
2 |
1 |
11523 |
◊ |
[SO4]A:302 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
33.4 |
-3.1 |
0.958 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[SO4]B:302 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11419 |
24.0 |
-2.7 |
0.888 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[SO4]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
11523 |
20.5 |
-2.0 |
0.876 |
0 |
0 |
0 |
0.048 |
26 |
32 |
|
[SO4]B:303 |
1 |
1 |
186 |
f |
[MER]B:301 |
x,y,z |
1_555 |
2 |
1 |
581 |
6.6 |
-0.9 |
0.661 |
0 |
0 |
0 |
0.015 |
27 |
33 |
|
[SO4]A:302 |
1 |
1 |
185 |
f |
[MER]A:301 |
x,y,z |
1_555 |
2 |
1 |
580 |
5.5 |
-0.8 |
0.646 |
0 |
0 |
0 |
0.019 |
28 |
34 |
|
B |
1 |
1 |
11416 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11419 |
0.8 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
|