| ## |
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 |
|
C |
58 |
4 |
1366 |
◊ |
A |
x,y,z |
1_555 |
70 |
29 |
17580 |
561.1 |
-14.0 |
0.637 |
5 |
0 |
0 |
0.271 |
2 |
|
D |
59 |
4 |
1375 |
◊ |
B |
x,y,z |
1_555 |
71 |
28 |
17774 |
555.6 |
-14.9 |
0.586 |
5 |
0 |
0 |
0.271 |
| Average: |
558.4 |
-14.5 |
0.612 |
5 |
0 |
0 |
0.271 |
| 2 |
3 |
|
B |
54 |
18 |
17774 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
53 |
18 |
17774 |
495.9 |
-2.9 |
0.352 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
58 |
19 |
17580 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
48 |
16 |
17580 |
479.2 |
-3.0 |
0.315 |
2 |
0 |
0 |
0.000 |
| Average: |
487.5 |
-2.9 |
0.333 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
52 |
18 |
17774 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
52 |
18 |
17580 |
471.4 |
-1.1 |
0.406 |
6 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
60 |
21 |
17774 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
17580 |
471.1 |
0.1 |
0.603 |
9 |
6 |
0 |
0.000 |
7 |
|
B |
54 |
17 |
17774 |
◊ |
A |
x-1,y,z |
1_455 |
63 |
23 |
17580 |
467.3 |
0.9 |
0.670 |
10 |
7 |
0 |
0.000 |
| Average: |
469.2 |
0.5 |
0.637 |
10 |
7 |
0 |
0.000 |
| 5 |
8 |
|
B |
46 |
14 |
17774 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
50 |
14 |
17580 |
468.9 |
-9.2 |
0.022 |
2 |
0 |
0 |
0.007 |
| 6 |
9 |
|
B |
22 |
7 |
17774 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
22 |
8 |
17580 |
194.8 |
1.0 |
0.707 |
2 |
7 |
0 |
0.000 |
| 7 |
10 |
|
D |
19 |
3 |
1375 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
22 |
7 |
17774 |
175.7 |
-3.6 |
0.621 |
2 |
0 |
0 |
0.000 |
11 |
|
A |
22 |
7 |
17580 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
3 |
1366 |
172.8 |
-3.3 |
0.617 |
2 |
0 |
0 |
0.000 |
| Average: |
174.2 |
-3.4 |
0.619 |
2 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[U37]D:3 |
14 |
1 |
442 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
17774 |
167.9 |
-3.7 |
0.418 |
1 |
0 |
0 |
0.069 |
13 |
|
[U37]C:3 |
13 |
1 |
442 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
17580 |
167.4 |
-3.4 |
0.435 |
2 |
0 |
0 |
0.069 |
| Average: |
167.6 |
-3.5 |
0.427 |
2 |
0 |
0 |
0.069 |
| 9 |
14 |
|
[U37]D:4 |
12 |
1 |
442 |
◊ |
B |
x,y,z |
1_555 |
18 |
10 |
17774 |
137.5 |
-1.8 |
0.526 |
1 |
0 |
0 |
0.036 |
15 |
|
[U37]C:4 |
11 |
1 |
440 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
17580 |
133.2 |
-1.0 |
0.603 |
1 |
0 |
0 |
0.036 |
| Average: |
135.4 |
-1.4 |
0.565 |
1 |
0 |
0 |
0.036 |
| 10 |
16 |
|
[U37]C:4 |
14 |
1 |
440 |
cf |
[U37]C:3 |
x,y,z |
1_555 |
15 |
1 |
442 |
122.4 |
-0.5 |
0.700 |
1 |
0 |
0 |
0.068 |
17 |
|
[U37]D:4 |
14 |
1 |
442 |
cf |
[U37]D:3 |
x,y,z |
1_555 |
15 |
1 |
442 |
120.4 |
-0.2 |
0.705 |
0 |
0 |
0 |
0.068 |
| Average: |
121.4 |
-0.4 |
0.702 |
1 |
0 |
0 |
0.068 |
| 11 |
18 |
|
[U37]D:4 |
15 |
1 |
442 |
cf |
D |
x,y,z |
1_555 |
16 |
2 |
1375 |
112.8 |
0.6 |
0.814 |
0 |
0 |
0 |
0.000 |
19 |
|
[U37]C:4 |
16 |
1 |
440 |
cf |
C |
x,y,z |
1_555 |
15 |
2 |
1366 |
112.2 |
0.5 |
0.830 |
0 |
0 |
0 |
0.000 |
| Average: |
112.5 |
0.6 |
0.822 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[U37]D:3 |
14 |
1 |
442 |
cf |
D |
x,y,z |
1_555 |
14 |
1 |
1375 |
109.4 |
-1.1 |
0.746 |
1 |
0 |
0 |
0.133 |
21 |
|
[U37]C:3 |
14 |
1 |
442 |
cf |
C |
x,y,z |
1_555 |
14 |
1 |
1366 |
109.4 |
-0.6 |
0.777 |
1 |
0 |
0 |
0.133 |
| Average: |
109.4 |
-0.8 |
0.761 |
1 |
0 |
0 |
0.133 |
| 13 |
22 |
|
[SO4]B:404 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17774 |
99.6 |
-16.8 |
0.463 |
5 |
0 |
0 |
0.301 |
| 14 |
23 |
|
[SO4]A:402 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
17580 |
98.8 |
-16.8 |
0.461 |
5 |
0 |
0 |
0.309 |
| 15 |
24 |
|
[MN]B:403 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
13 |
10 |
17774 |
84.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.077 |
25 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
17580 |
84.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
84.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.077 |
| 16 |
26 |
|
B |
12 |
3 |
17774 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
2 |
1366 |
61.7 |
-1.3 |
0.571 |
1 |
0 |
0 |
0.002 |
27 |
|
D |
8 |
2 |
1375 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
3 |
17580 |
61.5 |
-1.3 |
0.566 |
0 |
0 |
0 |
0.002 |
| Average: |
61.6 |
-1.3 |
0.568 |
1 |
0 |
0 |
0.002 |
| 17 |
28 |
|
A |
10 |
3 |
17580 |
◊ |
[U37]C:4 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
440 |
56.9 |
-1.9 |
0.408 |
0 |
0 |
0 |
0.000 |
29 |
|
[U37]D:4 |
5 |
1 |
442 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
10 |
3 |
17774 |
56.7 |
-1.9 |
0.405 |
0 |
0 |
0 |
0.000 |
| Average: |
56.8 |
-1.9 |
0.407 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17580 |
52.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.054 |
31 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17774 |
51.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
51.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| 19 |
32 |
|
[MN]B:401 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17774 |
44.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.052 |
33 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17580 |
43.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
44.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| 20 |
34 |
|
[MN]B:401 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1375 |
35.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.051 |
35 |
|
[MN]C:401 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1366 |
35.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
35.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.051 |
| 21 |
36 |
|
[MN]C:402 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
1366 |
33.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.048 |
37 |
|
[MN]B:402 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
1375 |
32.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
32.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.048 |
| 22 |
38 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 23 |
39 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 24 |
40 |
|
A |
3 |
1 |
17580 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
17774 |
14.6 |
0.6 |
0.823 |
0 |
0 |
0 |
0.000 |
| 25 |
41 |
|
[U37]D:3 |
1 |
1 |
442 |
◊ |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
42 |
|
[U37]C:3 |
1 |
1 |
442 |
◊ |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
|