| ## |
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 |
131 |
25 |
3044 |
◊ |
A |
x,y,z |
1_555 |
171 |
47 |
8865 |
1530.7 |
-30.0 |
0.079 |
7 |
12 |
0 |
0.382 |
| 2 |
2 |
|
F |
129 |
21 |
2550 |
◊ |
C |
x,y,z |
1_555 |
162 |
46 |
8768 |
1509.1 |
-26.3 |
0.083 |
11 |
15 |
0 |
0.369 |
| 3 |
3 |
|
E |
70 |
13 |
1513 |
◊ |
B |
x,y,z |
1_555 |
93 |
32 |
8601 |
873.4 |
-23.3 |
0.072 |
0 |
0 |
0 |
0.296 |
| 4 |
4 |
|
A |
46 |
15 |
8865 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
45 |
19 |
8601 |
462.3 |
-8.0 |
0.181 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
C |
30 |
10 |
8768 |
◊ |
B |
x,y,z |
1_555 |
37 |
13 |
8601 |
366.9 |
-1.0 |
0.656 |
4 |
2 |
0 |
0.022 |
| 6 |
6 |
|
B |
36 |
10 |
8601 |
x |
B |
-x,y-1/2,-z |
2_545 |
34 |
10 |
8601 |
318.4 |
0.1 |
0.835 |
6 |
3 |
0 |
0.000 |
7 |
|
A |
25 |
8 |
8865 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
8 |
8865 |
242.3 |
0.3 |
0.783 |
4 |
3 |
0 |
0.000 |
| Average: |
280.3 |
0.2 |
0.809 |
5 |
3 |
0 |
0.000 |
| 7 |
8 |
|
C |
36 |
11 |
8768 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
8865 |
300.1 |
1.8 |
0.893 |
6 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
25 |
8 |
8865 |
x |
A |
x,y-1,z |
1_545 |
29 |
7 |
8865 |
250.4 |
-1.4 |
0.601 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
19 |
7 |
8601 |
x |
B |
x,y-1,z |
1_545 |
22 |
7 |
8601 |
189.4 |
-0.8 |
0.653 |
1 |
0 |
0 |
0.000 |
| Average: |
219.9 |
-1.1 |
0.627 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
23 |
7 |
8768 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
28 |
8 |
8768 |
234.0 |
0.0 |
0.749 |
6 |
3 |
0 |
0.000 |
| 10 |
12 |
|
A |
16 |
6 |
8865 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
4 |
8768 |
133.5 |
-2.0 |
0.394 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
C |
11 |
3 |
8768 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
5 |
3044 |
99.9 |
1.6 |
0.873 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
D |
5 |
2 |
3044 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
2 |
8768 |
55.3 |
0.1 |
0.718 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[NI]C:515 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
8768 |
50.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.084 |
16 |
|
[NI]B:510 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8601 |
42.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
46.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.084 |
| 14 |
17 |
|
[NI]A:505 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8865 |
49.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.065 |
| 15 |
18 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8865 |
44.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.183 |
19 |
|
[CA]C:512 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
8768 |
44.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.183 |
20 |
|
[CA]B:507 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8601 |
44.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.183 |
| Average: |
44.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.183 |
| 16 |
21 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8865 |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.182 |
22 |
|
[CA]B:506 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8601 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.182 |
23 |
|
[CA]C:511 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
8768 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.182 |
| Average: |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.182 |
| 17 |
24 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8865 |
43.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.181 |
25 |
|
[CA]B:508 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8601 |
43.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.181 |
26 |
|
[CA]C:513 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
8768 |
43.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.181 |
| Average: |
43.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.181 |
| 18 |
27 |
|
[CA]B:509 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
8601 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.180 |
28 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
8865 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.180 |
29 |
|
[CA]C:514 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
8768 |
41.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
42.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.180 |
| 19 |
30 |
|
C |
4 |
2 |
8768 |
◊ |
[NI]C:515 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
115 |
17.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
3 |
2 |
8601 |
◊ |
[NI]B:510 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
115 |
14.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[NI]A:505 |
1 |
1 |
115 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
8865 |
12.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
14.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
B |
3 |
1 |
8601 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
8768 |
14.7 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
D |
1 |
1 |
3044 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
8768 |
13.3 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
C |
3 |
1 |
8768 |
x |
C |
x,y-1,z |
1_545 |
3 |
2 |
8768 |
8.3 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[CA]C:514 |
1 |
1 |
85 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
8768 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[NI]B:510 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8768 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 25 |
38 |
|
A |
1 |
1 |
8865 |
◊ |
[CA]A:504 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
85 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|