## |
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 |
55 |
18 |
13507 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
13379 |
593.0 |
1.4 |
0.642 |
5 |
9 |
0 |
0.000 |
2 |
2 |
|
B |
62 |
21 |
13507 |
◊ |
A |
x-1,y,z |
1_455 |
45 |
15 |
13379 |
475.0 |
-0.0 |
0.543 |
1 |
7 |
0 |
0.000 |
3 |
3 |
|
A |
46 |
14 |
13379 |
x |
A |
-x+3,y-1/2,-z+1 |
2_846 |
43 |
13 |
13379 |
467.5 |
-1.8 |
0.416 |
0 |
3 |
0 |
0.000 |
4 |
|
B |
38 |
11 |
13507 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
55 |
15 |
13507 |
455.8 |
-2.9 |
0.274 |
2 |
2 |
0 |
0.000 |
Average: |
461.6 |
-2.3 |
0.345 |
1 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
61 |
22 |
13507 |
x |
B |
x-1,y,z |
1_455 |
48 |
12 |
13507 |
460.2 |
1.2 |
0.638 |
1 |
4 |
0 |
0.000 |
6 |
|
A |
46 |
15 |
13379 |
x |
A |
x-1,y,z |
1_455 |
45 |
14 |
13379 |
373.8 |
0.3 |
0.583 |
1 |
3 |
0 |
0.000 |
Average: |
417.0 |
0.8 |
0.610 |
1 |
4 |
0 |
0.000 |
5 |
7 |
|
[GXY]A:502 |
12 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
35 |
11 |
13379 |
221.0 |
-3.1 |
0.492 |
0 |
0 |
0 |
0.308 |
6 |
8 |
|
[GXY]B:502 |
12 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
32 |
9 |
13507 |
207.4 |
-2.6 |
0.492 |
0 |
0 |
0 |
0.554 |
7 |
9 |
|
B |
18 |
5 |
13507 |
◊ |
A |
x,y-1,z |
1_545 |
22 |
9 |
13379 |
177.7 |
-0.3 |
0.487 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
11 |
6 |
13507 |
◊ |
A |
x-1,y-1,z |
1_445 |
11 |
4 |
13379 |
103.1 |
-0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
Average: |
140.4 |
-0.2 |
0.469 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[GXY]B:501 |
12 |
1 |
348 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
13507 |
167.4 |
-1.3 |
0.660 |
1 |
0 |
0 |
0.363 |
9 |
12 |
|
[GXY]A:501 |
12 |
1 |
351 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
13379 |
160.5 |
-0.7 |
0.745 |
0 |
0 |
0 |
0.070 |
10 |
13 |
|
[PEG]A:511 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
13379 |
107.6 |
1.1 |
0.132 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
8 |
4 |
13507 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
9 |
5 |
13507 |
80.0 |
0.6 |
0.659 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
11 |
5 |
13379 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
5 |
13379 |
78.4 |
0.7 |
0.699 |
0 |
2 |
0 |
0.000 |
Average: |
79.2 |
0.6 |
0.679 |
0 |
1 |
0 |
0.000 |
12 |
16 |
|
[PEG]A:511 |
5 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
13507 |
72.4 |
2.3 |
0.373 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[NH4]B:505 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13507 |
65.2 |
0.6 |
0.676 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[NH4]A:508 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13379 |
63.8 |
1.2 |
0.739 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[NH4]B:504 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13507 |
62.5 |
1.3 |
0.000 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[NH4]B:508 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13507 |
62.3 |
0.9 |
0.755 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[NH4]B:503 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
13507 |
61.0 |
1.3 |
0.750 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[NH4]A:507 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13379 |
60.0 |
1.3 |
0.000 |
2 |
0 |
0 |
0.000 |
19 |
23 |
|
[NH4]A:509 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13379 |
55.4 |
0.7 |
0.724 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[NH4]B:507 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
13507 |
54.8 |
0.6 |
0.696 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[NH4]B:509 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
13507 |
53.9 |
0.4 |
0.629 |
1 |
0 |
0 |
0.003 |
22 |
26 |
|
[NH4]A:503 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13379 |
53.4 |
0.7 |
0.752 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[NH4]B:506 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13507 |
52.8 |
0.9 |
0.774 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[NH4]B:511 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
13507 |
51.8 |
1.2 |
0.000 |
2 |
0 |
0 |
0.000 |
25 |
29 |
|
[NH4]B:510 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
13507 |
51.5 |
1.2 |
0.000 |
2 |
0 |
0 |
0.000 |
26 |
30 |
|
[NH4]A:505 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
13379 |
48.5 |
0.5 |
0.664 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
B |
10 |
5 |
13507 |
f |
[NH4]A:505 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
47.5 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[NH4]A:506 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13379 |
38.2 |
0.7 |
0.823 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
B |
7 |
3 |
13507 |
f |
[NH4]A:504 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
37.1 |
0.2 |
0.619 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[NH4]A:504 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
13379 |
33.4 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[NH4]B:511 |
1 |
1 |
117 |
f |
[NH4]B:510 |
x,y,z |
1_555 |
1 |
1 |
117 |
14.5 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[NH4]B:507 |
1 |
1 |
117 |
f |
A |
x,y-1,z |
1_545 |
2 |
1 |
13379 |
12.0 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.005 |
33 |
37 |
|
[NH4]A:503 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13507 |
11.0 |
-0.0 |
0.424 |
0 |
0 |
0 |
0.010 |
34 |
38 |
|
[NH4]B:509 |
1 |
1 |
117 |
◊ |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
13379 |
6.7 |
0.2 |
0.910 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
B |
1 |
1 |
13507 |
f |
[NH4]B:505 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
117 |
3.5 |
0.2 |
0.913 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
B |
1 |
1 |
13507 |
◊ |
[GXY]B:502 |
x-1,y,z |
1_455 |
1 |
1 |
352 |
1.9 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
|