| ## |
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 |
23 |
12692 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
57 |
17 |
12692 |
587.8 |
0.4 |
0.792 |
9 |
5 |
0 |
0.000 |
2 |
|
A |
56 |
17 |
12605 |
x |
A |
-y,x-y,z-1/3 |
2_554 |
65 |
24 |
12605 |
585.2 |
0.2 |
0.763 |
8 |
4 |
0 |
0.000 |
| Average: |
586.5 |
0.3 |
0.778 |
9 |
5 |
0 |
0.000 |
| 2 |
3 |
|
A |
51 |
15 |
12605 |
◊ |
B |
-y,x-y-1,z+2/3 |
2_545 |
50 |
15 |
12692 |
553.4 |
-9.7 |
0.061 |
2 |
4 |
0 |
0.010 |
| 3 |
4 |
|
[ATP]A:303 |
30 |
1 |
628 |
f |
A |
x,y,z |
1_555 |
58 |
23 |
12605 |
422.2 |
-1.2 |
0.673 |
11 |
0 |
0 |
0.014 |
5 |
|
[ATP]B:302 |
31 |
1 |
625 |
f |
B |
x,y,z |
1_555 |
58 |
22 |
12692 |
420.5 |
-1.5 |
0.672 |
12 |
0 |
0 |
0.014 |
| Average: |
421.4 |
-1.4 |
0.673 |
12 |
0 |
0 |
0.014 |
| 4 |
6 |
|
[SRY]A:304 |
31 |
1 |
709 |
f |
A |
x,y,z |
1_555 |
45 |
16 |
12605 |
378.8 |
-6.3 |
0.564 |
4 |
0 |
0 |
0.017 |
7 |
|
[SRY]B:303 |
30 |
1 |
701 |
f |
B |
x,y,z |
1_555 |
44 |
14 |
12692 |
364.8 |
-5.8 |
0.615 |
5 |
0 |
0 |
0.017 |
| Average: |
371.8 |
-6.0 |
0.589 |
5 |
0 |
0 |
0.017 |
| 5 |
8 |
|
B |
30 |
12 |
12692 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
12605 |
324.9 |
-0.9 |
0.613 |
3 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
31 |
12 |
12692 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
36 |
12 |
12605 |
310.4 |
-1.1 |
0.485 |
5 |
0 |
0 |
0.000 |
10 |
|
B |
37 |
12 |
12692 |
◊ |
A |
-y+1,x-y,z-1/3 |
2_654 |
29 |
10 |
12605 |
308.4 |
-1.1 |
0.475 |
5 |
0 |
0 |
0.000 |
| Average: |
309.4 |
-1.1 |
0.480 |
5 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[PEG]A:306 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12605 |
111.8 |
3.0 |
0.345 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[PEG]B:304 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12692 |
107.8 |
2.8 |
0.324 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[EDO]A:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
12605 |
104.7 |
2.1 |
0.397 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
8 |
2 |
12692 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
2 |
12605 |
77.8 |
1.7 |
0.899 |
2 |
2 |
0 |
0.000 |
| 11 |
15 |
|
[SRY]B:303 |
8 |
1 |
701 |
f |
[ATP]B:302 |
x,y,z |
1_555 |
8 |
1 |
625 |
68.3 |
-1.6 |
0.546 |
0 |
0 |
0 |
0.004 |
16 |
|
[SRY]A:304 |
7 |
1 |
709 |
f |
[ATP]A:303 |
x,y,z |
1_555 |
9 |
1 |
628 |
67.2 |
-1.9 |
0.478 |
0 |
0 |
0 |
0.004 |
| Average: |
67.8 |
-1.8 |
0.512 |
0 |
0 |
0 |
0.004 |
| 12 |
17 |
|
A |
11 |
6 |
12605 |
f |
[CL]A:307 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
125 |
54.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.015 |
18 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
-y+1,x-y,z-1/3 |
2_654 |
11 |
6 |
12692 |
54.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
54.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 13 |
19 |
|
B |
4 |
3 |
12692 |
f |
[EDO]A:305 |
-y,x-y,z-1/3 |
2_554 |
4 |
1 |
185 |
54.3 |
0.7 |
0.453 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[CL]A:307 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12605 |
45.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
|
[CL]B:305 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12692 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
B |
6 |
3 |
12692 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
3 |
1 |
12605 |
38.4 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[CA]B:306 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12692 |
30.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12605 |
29.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
30.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 17 |
25 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12605 |
30.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12692 |
30.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
30.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 18 |
27 |
|
[ATP]A:303 |
3 |
1 |
628 |
f |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
28 |
|
[ATP]B:302 |
3 |
1 |
625 |
f |
[CA]B:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
27.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 19 |
29 |
|
[ATP]B:302 |
4 |
1 |
625 |
f |
[CA]B:306 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
|
[ATP]A:303 |
3 |
1 |
628 |
f |
[CA]A:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
20.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 20 |
31 |
|
[SRY]A:304 |
3 |
1 |
709 |
f |
[CA]A:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
14.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
32 |
|
[SRY]B:303 |
2 |
1 |
701 |
f |
[CA]B:306 |
x,y,z |
1_555 |
1 |
1 |
85 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 21 |
33 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 22 |
34 |
|
[CA]B:306 |
1 |
1 |
85 |
f |
[CA]B:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.006 |
|