| ## |
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 |
566 |
139 |
28653 |
◊ |
A |
x,y,z |
1_555 |
569 |
137 |
29327 |
5559.5 |
-41.0 |
0.051 |
69 |
43 |
0 |
1.000 |
| 2 |
2 |
|
C |
119 |
19 |
11759 |
◊ |
A |
x,y,z |
1_555 |
121 |
38 |
29327 |
999.4 |
-12.8 |
0.831 |
21 |
0 |
0 |
0.492 |
3 |
|
D |
105 |
19 |
11713 |
◊ |
B |
x,y,z |
1_555 |
105 |
34 |
28653 |
812.6 |
-8.5 |
0.891 |
19 |
0 |
0 |
0.492 |
| Average: |
906.0 |
-10.7 |
0.861 |
20 |
0 |
0 |
0.492 |
| 3 |
4 |
|
A |
76 |
19 |
29327 |
◊ |
B |
x,y,z-1 |
1_554 |
71 |
24 |
28653 |
712.5 |
7.3 |
0.937 |
5 |
8 |
0 |
0.000 |
| 4 |
5 |
|
A |
53 |
19 |
29327 |
x |
A |
-x+1,-y+2,z-1/2 |
4_674 |
53 |
17 |
29327 |
491.4 |
-0.3 |
0.604 |
8 |
3 |
0 |
0.000 |
| 5 |
6 |
|
[G7M]C:46 |
24 |
1 |
513 |
cf |
C |
x,y,z |
1_555 |
43 |
8 |
11759 |
318.1 |
1.4 |
0.830 |
3 |
0 |
0 |
0.000 |
7 |
|
[G7M]D:46 |
24 |
1 |
516 |
cf |
D |
x,y,z |
1_555 |
47 |
7 |
11713 |
300.1 |
1.3 |
0.834 |
2 |
0 |
0 |
0.000 |
| Average: |
309.1 |
1.4 |
0.832 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[4SU]C:8 |
20 |
1 |
438 |
cf |
C |
x,y,z |
1_555 |
38 |
10 |
11759 |
309.8 |
-3.4 |
0.761 |
1 |
0 |
0 |
0.093 |
9 |
|
[4SU]D:8 |
20 |
1 |
432 |
cf |
D |
x,y,z |
1_555 |
40 |
9 |
11713 |
298.7 |
-2.8 |
0.815 |
2 |
0 |
0 |
0.093 |
| Average: |
304.2 |
-3.1 |
0.788 |
2 |
0 |
0 |
0.093 |
| 7 |
10 |
|
B |
28 |
9 |
28653 |
◊ |
C |
x-y+1,x,z+1/2 |
6_655 |
40 |
3 |
11759 |
303.9 |
-5.4 |
0.400 |
2 |
0 |
0 |
0.066 |
11 |
|
D |
38 |
3 |
11713 |
◊ |
A |
x-y+1,x,z+1/2 |
6_655 |
32 |
11 |
29327 |
281.2 |
-1.4 |
0.512 |
2 |
0 |
0 |
0.066 |
| Average: |
292.5 |
-3.4 |
0.456 |
2 |
0 |
0 |
0.066 |
| 8 |
12 |
|
A |
22 |
7 |
29327 |
x |
A |
x,y,z-1 |
1_554 |
34 |
13 |
29327 |
260.9 |
0.5 |
0.603 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[QUO]C:34 |
24 |
1 |
659 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
29327 |
240.5 |
-1.2 |
0.338 |
2 |
0 |
0 |
0.045 |
14 |
|
[QUO]D:34 |
24 |
1 |
643 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
28653 |
217.4 |
0.2 |
0.399 |
2 |
0 |
0 |
0.045 |
| Average: |
228.9 |
-0.5 |
0.368 |
2 |
0 |
0 |
0.045 |
| 10 |
15 |
|
[PSU]C:65 |
20 |
1 |
420 |
cf |
C |
x,y,z |
1_555 |
31 |
4 |
11759 |
227.5 |
0.9 |
0.846 |
3 |
0 |
0 |
0.009 |
| 11 |
16 |
|
[PSU]D:65 |
20 |
1 |
424 |
cf |
D |
x,y,z |
1_555 |
35 |
4 |
11713 |
226.9 |
0.6 |
0.820 |
3 |
0 |
0 |
0.019 |
| 12 |
17 |
|
[QUO]C:34 |
19 |
1 |
659 |
cf |
C |
x,y,z |
1_555 |
19 |
2 |
11759 |
209.8 |
-2.0 |
0.685 |
1 |
0 |
0 |
0.053 |
18 |
|
[QUO]D:34 |
20 |
1 |
643 |
cf |
D |
x,y,z |
1_555 |
23 |
3 |
11713 |
196.4 |
-1.4 |
0.758 |
1 |
0 |
0 |
0.053 |
| Average: |
203.1 |
-1.7 |
0.722 |
1 |
0 |
0 |
0.053 |
| 13 |
19 |
|
[H2U]C:16 |
13 |
1 |
440 |
cf |
C |
x,y,z |
1_555 |
24 |
6 |
11759 |
186.7 |
-3.5 |
0.504 |
1 |
0 |
0 |
0.098 |
20 |
|
[H2U]D:16 |
15 |
1 |
433 |
cf |
D |
x,y,z |
1_555 |
22 |
6 |
11713 |
176.8 |
-3.5 |
0.547 |
1 |
0 |
0 |
0.098 |
| Average: |
181.7 |
-3.5 |
0.526 |
1 |
0 |
0 |
0.098 |
| 14 |
21 |
|
[PSU]D:55 |
20 |
1 |
431 |
cf |
D |
x,y,z |
1_555 |
20 |
5 |
11713 |
172.0 |
-4.7 |
0.568 |
3 |
0 |
0 |
0.150 |
22 |
|
[PSU]C:55 |
18 |
1 |
420 |
cf |
C |
x,y,z |
1_555 |
21 |
5 |
11759 |
160.4 |
-3.6 |
0.592 |
3 |
0 |
0 |
0.150 |
| Average: |
166.2 |
-4.1 |
0.580 |
3 |
0 |
0 |
0.150 |
| 15 |
23 |
|
[5MU]C:54 |
16 |
1 |
433 |
cf |
C |
x,y,z |
1_555 |
27 |
4 |
11759 |
164.7 |
1.0 |
0.890 |
1 |
0 |
0 |
0.000 |
24 |
|
[5MU]D:54 |
17 |
1 |
436 |
cf |
D |
x,y,z |
1_555 |
25 |
3 |
11713 |
163.7 |
1.4 |
0.887 |
1 |
0 |
0 |
0.000 |
| Average: |
164.2 |
1.2 |
0.889 |
1 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[H2U]D:20 |
12 |
1 |
425 |
cf |
D |
x,y,z |
1_555 |
16 |
5 |
11713 |
149.4 |
-2.8 |
0.481 |
0 |
0 |
0 |
0.070 |
| 17 |
26 |
|
[2MA]D:37 |
11 |
1 |
494 |
cf |
D |
x,y,z |
1_555 |
21 |
5 |
11713 |
147.1 |
-2.6 |
0.506 |
0 |
0 |
0 |
0.065 |
| 18 |
27 |
|
[2MA]C:37 |
10 |
1 |
498 |
cf |
C |
x,y,z |
1_555 |
20 |
5 |
11759 |
137.2 |
-2.2 |
0.506 |
0 |
0 |
0 |
0.049 |
| 19 |
28 |
|
[2MA]C:37 |
11 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
29327 |
131.2 |
-0.1 |
0.616 |
2 |
0 |
0 |
0.023 |
29 |
|
[2MA]D:37 |
9 |
1 |
494 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
28653 |
109.4 |
1.1 |
0.716 |
1 |
0 |
0 |
0.023 |
| Average: |
120.3 |
0.5 |
0.666 |
2 |
0 |
0 |
0.023 |
| 20 |
30 |
|
[PSU]D:55 |
15 |
1 |
431 |
cf |
[5MU]D:54 |
x,y,z |
1_555 |
16 |
1 |
436 |
120.2 |
0.4 |
0.738 |
0 |
0 |
0 |
0.005 |
31 |
|
[PSU]C:55 |
14 |
1 |
420 |
cf |
[5MU]C:54 |
x,y,z |
1_555 |
16 |
1 |
433 |
118.8 |
-0.2 |
0.677 |
0 |
0 |
0 |
0.005 |
| Average: |
119.5 |
0.1 |
0.707 |
0 |
0 |
0 |
0.005 |
| 21 |
32 |
|
[H2U]C:20 |
9 |
1 |
446 |
cf |
C |
x,y,z |
1_555 |
15 |
5 |
11759 |
112.9 |
-2.3 |
0.582 |
0 |
0 |
0 |
0.052 |
| 22 |
33 |
|
A |
13 |
4 |
29327 |
◊ |
[QUO]C:34 |
-x+1,-y+2,z-1/2 |
4_674 |
11 |
1 |
659 |
104.3 |
-3.1 |
0.351 |
0 |
0 |
0 |
0.024 |
| 23 |
34 |
|
[H2U]D:20A |
8 |
1 |
444 |
◊ |
C |
x-y+1,x,z-1/2 |
6_654 |
16 |
4 |
11759 |
101.0 |
-1.7 |
0.627 |
2 |
0 |
0 |
0.020 |
| 24 |
35 |
|
[H2U]D:20A |
6 |
1 |
444 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
11713 |
72.1 |
-1.8 |
0.495 |
0 |
0 |
0 |
0.044 |
36 |
|
[H2U]C:20A |
6 |
1 |
426 |
cf |
C |
x,y,z |
1_555 |
9 |
2 |
11759 |
70.1 |
-1.1 |
0.520 |
0 |
0 |
0 |
0.044 |
| Average: |
71.1 |
-1.4 |
0.508 |
0 |
0 |
0 |
0.044 |
| 25 |
37 |
|
[H2U]D:20A |
5 |
1 |
444 |
cf |
[H2U]D:20 |
x,y,z |
1_555 |
8 |
1 |
425 |
67.1 |
-0.6 |
0.455 |
0 |
0 |
0 |
0.015 |
| 26 |
38 |
|
[H2U]C:20A |
6 |
1 |
426 |
cf |
[H2U]C:20 |
x,y,z |
1_555 |
8 |
1 |
446 |
65.7 |
1.1 |
0.654 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
B |
6 |
1 |
28653 |
◊ |
[H2U]C:20 |
x-y+1,x,z+1/2 |
6_655 |
5 |
1 |
446 |
44.7 |
-0.5 |
0.511 |
1 |
0 |
0 |
0.007 |
| 28 |
40 |
|
A |
5 |
2 |
29327 |
◊ |
C |
-x+1,-y+2,z-1/2 |
4_674 |
6 |
2 |
11759 |
42.9 |
-1.5 |
0.387 |
0 |
0 |
0 |
0.011 |
| 29 |
41 |
|
[H2U]D:20 |
4 |
1 |
425 |
◊ |
A |
x-y+1,x,z+1/2 |
6_655 |
5 |
1 |
29327 |
41.9 |
0.8 |
0.653 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[G7M]C:46 |
4 |
1 |
513 |
f |
[4SU]C:8 |
x,y,z |
1_555 |
5 |
1 |
438 |
39.7 |
-0.1 |
0.572 |
1 |
0 |
0 |
0.013 |
43 |
|
[G7M]D:46 |
6 |
1 |
516 |
f |
[4SU]D:8 |
x,y,z |
1_555 |
5 |
1 |
432 |
36.3 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.013 |
| Average: |
38.0 |
-0.1 |
0.584 |
1 |
0 |
0 |
0.013 |
| 31 |
44 |
|
[H2U]C:20 |
5 |
1 |
446 |
f |
[H2U]C:16 |
x,y,z |
1_555 |
5 |
1 |
440 |
32.6 |
0.5 |
0.596 |
0 |
0 |
0 |
0.000 |
| 32 |
45 |
|
[H2U]D:20 |
5 |
1 |
425 |
f |
[H2U]D:16 |
x,y,z |
1_555 |
4 |
1 |
433 |
30.8 |
-0.8 |
0.427 |
0 |
0 |
0 |
0.020 |
| 33 |
46 |
|
D |
7 |
3 |
11713 |
◊ |
C |
x-y+1,x,z-1/2 |
6_654 |
6 |
2 |
11759 |
29.6 |
-1.7 |
0.545 |
0 |
0 |
0 |
0.013 |
| 34 |
47 |
|
D |
5 |
2 |
11713 |
◊ |
[H2U]C:20A |
x-y+1,x,z-1/2 |
6_654 |
2 |
1 |
426 |
27.7 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
| 35 |
48 |
|
B |
4 |
1 |
28653 |
x |
B |
x,y,z-1 |
1_554 |
2 |
1 |
28653 |
24.7 |
0.4 |
0.785 |
1 |
1 |
0 |
0.000 |
| 36 |
49 |
|
B |
2 |
1 |
28653 |
◊ |
[H2U]C:16 |
x-y+1,x,z+1/2 |
6_655 |
1 |
1 |
440 |
5.6 |
-0.3 |
0.428 |
0 |
0 |
0 |
0.002 |
|