| ## |
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 |
61 |
15 |
8485 |
x |
D |
x,y-1,z |
1_545 |
68 |
15 |
8485 |
615.1 |
-5.4 |
0.338 |
7 |
3 |
0 |
0.000 |
2 |
|
A |
59 |
15 |
8486 |
x |
A |
x,y-1,z |
1_545 |
66 |
15 |
8486 |
600.5 |
-4.7 |
0.391 |
7 |
1 |
0 |
0.000 |
3 |
|
C |
61 |
15 |
8440 |
x |
C |
x,y-1,z |
1_545 |
66 |
14 |
8440 |
597.2 |
-7.3 |
0.220 |
5 |
3 |
0 |
0.000 |
4 |
|
B |
57 |
15 |
8317 |
x |
B |
x,y-1,z |
1_545 |
64 |
12 |
8317 |
586.8 |
-5.3 |
0.317 |
6 |
1 |
0 |
0.000 |
| Average: |
599.9 |
-5.7 |
0.317 |
6 |
2 |
0 |
0.000 |
| 2 |
5 |
|
[ATP]D:203 |
27 |
1 |
632 |
f |
D |
x,y,z |
1_555 |
45 |
19 |
8485 |
359.5 |
-0.6 |
0.649 |
13 |
0 |
0 |
0.019 |
6 |
|
[ATP]A:205 |
27 |
1 |
651 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
8486 |
351.2 |
-1.1 |
0.636 |
10 |
0 |
0 |
0.019 |
7 |
|
[ATP]B:203 |
26 |
1 |
645 |
f |
B |
x,y,z |
1_555 |
44 |
17 |
8317 |
349.1 |
-1.1 |
0.640 |
11 |
0 |
0 |
0.019 |
8 |
|
[ATP]C:204 |
25 |
1 |
645 |
f |
C |
x,y,z |
1_555 |
43 |
17 |
8440 |
345.8 |
-0.1 |
0.665 |
10 |
0 |
0 |
0.019 |
| Average: |
351.4 |
-0.7 |
0.647 |
11 |
0 |
0 |
0.019 |
| 3 |
9 |
|
[5RV]D:204 |
21 |
1 |
472 |
f |
D |
x,y,z |
1_555 |
51 |
17 |
8485 |
317.6 |
2.3 |
0.440 |
6 |
0 |
0 |
0.001 |
10 |
|
[5RV]C:205 |
21 |
1 |
476 |
f |
C |
x,y,z |
1_555 |
38 |
15 |
8440 |
278.4 |
4.0 |
0.534 |
7 |
0 |
0 |
0.001 |
11 |
|
[5RV]B:204 |
20 |
1 |
474 |
f |
B |
x,y,z |
1_555 |
37 |
15 |
8317 |
269.9 |
3.6 |
0.491 |
6 |
0 |
0 |
0.001 |
12 |
|
[5RV]A:206 |
21 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
8486 |
264.8 |
3.7 |
0.486 |
6 |
0 |
0 |
0.001 |
| Average: |
282.7 |
3.4 |
0.488 |
6 |
0 |
0 |
0.001 |
| 4 |
13 |
|
B |
36 |
10 |
8317 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
8486 |
297.9 |
-2.1 |
0.486 |
2 |
0 |
0 |
0.007 |
14 |
|
D |
35 |
9 |
8485 |
◊ |
C |
x,y,z |
1_555 |
31 |
8 |
8440 |
252.8 |
-3.6 |
0.321 |
3 |
0 |
0 |
0.007 |
| Average: |
275.3 |
-2.8 |
0.404 |
3 |
0 |
0 |
0.007 |
| 5 |
15 |
|
A |
27 |
8 |
8486 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
9 |
8317 |
246.0 |
-3.5 |
0.253 |
1 |
0 |
0 |
0.000 |
16 |
|
D |
22 |
6 |
8485 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
6 |
8440 |
180.3 |
-3.3 |
0.233 |
0 |
0 |
0 |
0.000 |
| Average: |
213.1 |
-3.4 |
0.243 |
1 |
0 |
0 |
0.000 |
| 6 |
17 |
|
C |
27 |
7 |
8440 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
8317 |
239.0 |
-2.3 |
0.314 |
3 |
0 |
0 |
0.000 |
18 |
|
B |
25 |
7 |
8317 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
25 |
7 |
8486 |
223.4 |
-1.7 |
0.430 |
1 |
0 |
0 |
0.000 |
| Average: |
231.2 |
-2.0 |
0.372 |
2 |
0 |
0 |
0.000 |
| 7 |
19 |
|
D |
25 |
8 |
8485 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
8486 |
232.2 |
-0.3 |
0.512 |
0 |
2 |
0 |
0.000 |
| 8 |
20 |
|
D |
22 |
8 |
8485 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
28 |
9 |
8440 |
197.8 |
-0.6 |
0.643 |
1 |
0 |
0 |
0.000 |
| 9 |
21 |
|
A |
18 |
6 |
8486 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
14 |
6 |
8317 |
125.6 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
13 |
5 |
8317 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
5 |
8440 |
90.0 |
-0.2 |
0.550 |
1 |
2 |
0 |
0.000 |
23 |
|
C |
10 |
4 |
8440 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
4 |
8485 |
89.4 |
-0.3 |
0.536 |
1 |
2 |
0 |
0.000 |
| Average: |
101.7 |
-0.2 |
0.560 |
1 |
1 |
0 |
0.000 |
| 10 |
24 |
|
A |
13 |
5 |
8486 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
7 |
8485 |
105.9 |
-1.4 |
0.335 |
0 |
0 |
0 |
0.000 |
| 11 |
25 |
|
B |
9 |
3 |
8317 |
◊ |
[ATP]B:203 |
x,y-1,z |
1_545 |
10 |
1 |
645 |
72.3 |
-1.6 |
0.460 |
2 |
0 |
0 |
0.000 |
26 |
|
A |
8 |
3 |
8486 |
◊ |
[ATP]A:205 |
x,y-1,z |
1_545 |
10 |
1 |
651 |
71.9 |
-1.7 |
0.445 |
2 |
0 |
0 |
0.000 |
27 |
|
D |
8 |
3 |
8485 |
◊ |
[ATP]D:203 |
x,y-1,z |
1_545 |
10 |
1 |
632 |
70.3 |
-1.7 |
0.454 |
3 |
0 |
0 |
0.000 |
28 |
|
C |
9 |
3 |
8440 |
◊ |
[ATP]C:204 |
x,y-1,z |
1_545 |
10 |
1 |
645 |
70.2 |
-1.4 |
0.468 |
2 |
0 |
0 |
0.000 |
| Average: |
71.2 |
-1.6 |
0.457 |
2 |
0 |
0 |
0.000 |
| 12 |
29 |
|
C |
15 |
7 |
8440 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
7 |
2 |
8440 |
70.5 |
0.5 |
0.737 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
8 |
5 |
8486 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
4 |
2 |
8486 |
50.5 |
-0.2 |
0.575 |
1 |
0 |
0 |
0.000 |
| Average: |
60.5 |
0.2 |
0.656 |
1 |
0 |
0 |
0.000 |
| 13 |
31 |
|
C |
6 |
2 |
8440 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
2 |
8485 |
66.2 |
-1.2 |
0.268 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
5 |
2 |
8485 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
8440 |
46.6 |
-1.0 |
0.244 |
0 |
0 |
0 |
0.000 |
| Average: |
56.4 |
-1.1 |
0.256 |
0 |
0 |
0 |
0.000 |
| 14 |
33 |
|
[5RV]C:205 |
6 |
1 |
476 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
8485 |
64.0 |
0.3 |
0.312 |
0 |
0 |
0 |
0.000 |
34 |
|
[5RV]D:204 |
4 |
1 |
472 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8440 |
43.8 |
0.6 |
0.467 |
0 |
0 |
0 |
0.000 |
35 |
|
[5RV]B:204 |
4 |
1 |
474 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8486 |
40.4 |
0.7 |
0.449 |
0 |
0 |
0 |
0.000 |
36 |
|
[5RV]A:206 |
4 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8317 |
40.2 |
0.6 |
0.435 |
0 |
0 |
0 |
0.000 |
| Average: |
47.1 |
0.5 |
0.416 |
0 |
0 |
0 |
0.000 |
| 15 |
37 |
|
[CA]A:204 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8486 |
47.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.027 |
| 16 |
38 |
|
[ATP]C:204 |
7 |
1 |
645 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
8485 |
41.4 |
-0.1 |
0.357 |
0 |
0 |
0 |
0.000 |
39 |
|
[ATP]B:203 |
3 |
1 |
645 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8486 |
16.4 |
0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
40 |
|
[ATP]D:203 |
1 |
1 |
632 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8440 |
5.1 |
0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
41 |
|
[ATP]A:205 |
1 |
1 |
651 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8317 |
1.1 |
0.0 |
0.458 |
0 |
0 |
0 |
0.000 |
| Average: |
16.0 |
0.0 |
0.413 |
0 |
0 |
0 |
0.000 |
| 17 |
42 |
|
[5RV]C:205 |
5 |
1 |
476 |
f |
[ATP]C:204 |
x,y,z |
1_555 |
6 |
1 |
645 |
35.0 |
-0.8 |
0.268 |
0 |
0 |
0 |
0.003 |
43 |
|
[5RV]D:204 |
5 |
1 |
472 |
f |
[ATP]D:203 |
x,y,z |
1_555 |
6 |
1 |
632 |
31.9 |
-0.6 |
0.266 |
0 |
0 |
0 |
0.003 |
44 |
|
[5RV]B:204 |
5 |
1 |
474 |
f |
[ATP]B:203 |
x,y,z |
1_555 |
6 |
1 |
645 |
31.4 |
-0.5 |
0.268 |
0 |
0 |
0 |
0.003 |
45 |
|
[5RV]A:206 |
5 |
1 |
472 |
f |
[ATP]A:205 |
x,y,z |
1_555 |
6 |
1 |
651 |
30.4 |
-0.6 |
0.265 |
0 |
0 |
0 |
0.003 |
| Average: |
32.2 |
-0.6 |
0.267 |
0 |
0 |
0 |
0.003 |
| 18 |
46 |
|
[ATP]B:203 |
5 |
1 |
645 |
f |
[CA]B:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.021 |
47 |
|
[ATP]C:204 |
5 |
1 |
645 |
f |
[CA]C:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.021 |
48 |
|
[ATP]A:205 |
5 |
1 |
651 |
f |
[CA]A:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.021 |
49 |
|
[ATP]D:203 |
7 |
1 |
632 |
f |
[CA]D:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
33.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.021 |
| 19 |
50 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8486 |
31.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.020 |
51 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8317 |
31.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.020 |
52 |
|
[CA]D:202 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8485 |
31.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.020 |
53 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
8440 |
30.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
31.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 20 |
54 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8317 |
29.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.017 |
55 |
|
[CA]A:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8486 |
29.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.017 |
56 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
8485 |
28.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.017 |
57 |
|
[CA]C:201 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
8440 |
27.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
28.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.017 |
| 21 |
58 |
|
[ATP]A:205 |
3 |
1 |
651 |
f |
[CA]A:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.016 |
59 |
|
[ATP]B:203 |
3 |
1 |
645 |
f |
[CA]B:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.016 |
60 |
|
[ATP]D:203 |
3 |
1 |
632 |
f |
[CA]D:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.016 |
61 |
|
[ATP]C:204 |
3 |
1 |
645 |
f |
[CA]C:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
27.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| 22 |
62 |
|
D |
4 |
2 |
8485 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
8317 |
26.4 |
-0.5 |
0.277 |
0 |
0 |
0 |
0.000 |
| 23 |
63 |
|
[CA]C:203 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8485 |
20.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.009 |
64 |
|
[CA]C:203 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8440 |
19.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.009 |
65 |
|
[CA]A:203 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8486 |
19.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.009 |
66 |
|
[CA]A:203 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8317 |
16.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
18.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 24 |
67 |
|
D |
2 |
1 |
8485 |
◊ |
B |
x-1,y+1,z |
1_465 |
2 |
2 |
8317 |
14.8 |
-0.4 |
0.299 |
0 |
0 |
0 |
0.000 |
| 25 |
68 |
|
[5RV]B:204 |
4 |
1 |
474 |
f |
[CA]B:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
69 |
|
[5RV]C:205 |
4 |
1 |
476 |
f |
[CA]C:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
70 |
|
[5RV]A:206 |
3 |
1 |
472 |
f |
[CA]A:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
71 |
|
[5RV]D:204 |
5 |
1 |
472 |
f |
[CA]D:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
8.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| 26 |
72 |
|
[CA]D:202 |
1 |
1 |
85 |
f |
[CA]D:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 27 |
73 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
[CA]A:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 28 |
74 |
|
[5RV]B:204 |
1 |
1 |
474 |
◊ |
[CA]A:203 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
75 |
|
[5RV]A:206 |
1 |
1 |
472 |
◊ |
[CA]A:203 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
76 |
|
[5RV]D:204 |
1 |
1 |
472 |
◊ |
[CA]C:203 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
77 |
|
[5RV]C:205 |
2 |
1 |
476 |
◊ |
[CA]C:203 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
4.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
| 29 |
78 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
[CA]C:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 30 |
79 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
[CA]B:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 31 |
80 |
|
A |
1 |
1 |
8486 |
◊ |
[CA]A:201 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
4.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
|
D |
1 |
1 |
8485 |
◊ |
[CA]D:201 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
4.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
|
B |
1 |
1 |
8317 |
◊ |
[CA]B:201 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
3.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
C |
1 |
1 |
8440 |
◊ |
[CA]C:201 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
3.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
4.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
84 |
|
[5RV]A:206 |
1 |
1 |
472 |
◊ |
[ATP]B:203 |
x,y,z |
1_555 |
1 |
1 |
645 |
1.7 |
0.0 |
0.316 |
0 |
0 |
0 |
0.000 |
85 |
|
[5RV]D:204 |
1 |
1 |
472 |
◊ |
[ATP]C:204 |
x,y,z |
1_555 |
1 |
1 |
645 |
1.5 |
0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
86 |
|
[5RV]C:205 |
1 |
1 |
476 |
◊ |
[ATP]D:203 |
x,y,z |
1_555 |
1 |
1 |
632 |
0.9 |
0.0 |
0.316 |
0 |
0 |
0 |
0.000 |
| Average: |
1.4 |
0.0 |
0.314 |
0 |
0 |
0 |
0.000 |
|