| ## |
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 |
440 |
112 |
20557 |
◊ |
A |
x,y,z |
1_555 |
448 |
112 |
20570 |
4052.8 |
-44.0 |
0.007 |
79 |
16 |
0 |
0.673 |
| 2 |
2 |
|
A |
44 |
15 |
20570 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
16 |
20557 |
408.2 |
1.9 |
0.740 |
3 |
3 |
0 |
0.000 |
| 3 |
3 |
|
A |
29 |
6 |
20570 |
x |
A |
-x,y-1/2,-z |
2_545 |
31 |
9 |
20570 |
288.2 |
-2.4 |
0.299 |
2 |
0 |
0 |
0.000 |
4 |
|
B |
30 |
9 |
20557 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
23 |
6 |
20557 |
262.5 |
-2.0 |
0.279 |
3 |
0 |
0 |
0.000 |
| Average: |
275.3 |
-2.2 |
0.289 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[NMN]B:503 |
22 |
1 |
495 |
◊ |
B |
x,y,z |
1_555 |
49 |
20 |
20557 |
268.7 |
0.3 |
0.689 |
4 |
0 |
0 |
0.025 |
6 |
|
[NMN]A:503 |
22 |
1 |
497 |
◊ |
A |
x,y,z |
1_555 |
51 |
22 |
20570 |
267.8 |
0.2 |
0.683 |
4 |
0 |
0 |
0.025 |
| Average: |
268.2 |
0.2 |
0.686 |
4 |
0 |
0 |
0.025 |
| 5 |
7 |
|
A |
22 |
6 |
20570 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
6 |
20557 |
213.2 |
-3.2 |
0.185 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[NMN]A:503 |
18 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
20557 |
119.8 |
1.5 |
0.774 |
2 |
0 |
0 |
0.000 |
9 |
|
[NMN]B:503 |
18 |
1 |
495 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
20570 |
116.9 |
1.8 |
0.798 |
1 |
0 |
0 |
0.000 |
| Average: |
118.4 |
1.7 |
0.786 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[POP]B:504 |
9 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20557 |
109.5 |
2.0 |
0.731 |
6 |
0 |
0 |
0.006 |
| 8 |
11 |
|
[POP]A:504 |
9 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20570 |
107.8 |
3.2 |
0.867 |
6 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[POP]B:504 |
8 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
20570 |
56.2 |
-0.3 |
0.615 |
1 |
0 |
0 |
0.006 |
| 10 |
13 |
|
[POP]A:504 |
8 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
20557 |
55.0 |
0.4 |
0.643 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
20557 |
42.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.048 |
15 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20570 |
41.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
41.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.048 |
| 12 |
16 |
|
[POP]A:504 |
5 |
1 |
258 |
f |
[NMN]B:503 |
x,y,z |
1_555 |
8 |
1 |
495 |
40.2 |
-1.3 |
0.306 |
0 |
0 |
0 |
0.011 |
| 13 |
17 |
|
[POP]B:504 |
5 |
1 |
259 |
f |
[NMN]A:503 |
x,y,z |
1_555 |
8 |
1 |
497 |
40.0 |
-0.2 |
0.525 |
0 |
0 |
0 |
0.002 |
| 14 |
18 |
|
[POP]A:504 |
4 |
1 |
258 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.050 |
19 |
|
[POP]B:504 |
3 |
1 |
259 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
25.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.050 |
| 15 |
20 |
|
[POP]B:504 |
3 |
1 |
259 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 16 |
21 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
20570 |
25.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.046 |
22 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20557 |
24.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.046 |
23 |
|
[MG]B:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20570 |
6.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.046 |
24 |
|
[MG]A:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20557 |
5.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
15.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| 17 |
25 |
|
[NMN]A:503 |
4 |
1 |
497 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.040 |
26 |
|
[NMN]B:503 |
4 |
1 |
495 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
24.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.040 |
| 18 |
27 |
|
[POP]A:504 |
4 |
1 |
258 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.027 |
| 19 |
28 |
|
A |
2 |
1 |
20570 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
20557 |
23.2 |
0.7 |
0.711 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[NMN]B:503 |
4 |
1 |
495 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
30 |
|
[NMN]A:503 |
4 |
1 |
497 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
16.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| 21 |
31 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
20557 |
16.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
32 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
20570 |
16.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
16.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| 22 |
33 |
|
B |
2 |
1 |
20557 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
20570 |
6.3 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 24 |
35 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
|