## |
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 |
|
G |
79 |
16 |
2359 |
◊ |
A |
x,y,z |
1_555 |
98 |
28 |
6606 |
888.6 |
-7.5 |
0.515 |
12 |
10 |
0 |
0.454 |
2 |
|
H |
77 |
17 |
2536 |
◊ |
B |
x,y,z |
1_555 |
92 |
26 |
6602 |
873.4 |
-9.1 |
0.550 |
9 |
7 |
0 |
0.454 |
3 |
|
C |
72 |
14 |
2323 |
◊ |
D |
x,y,z |
1_555 |
90 |
25 |
6602 |
798.5 |
-9.1 |
0.340 |
8 |
4 |
0 |
0.454 |
Average: |
853.5 |
-8.6 |
0.468 |
10 |
7 |
0 |
0.454 |
2 |
4 |
|
B |
48 |
10 |
6602 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
53 |
18 |
6602 |
498.9 |
-3.9 |
0.393 |
6 |
4 |
0 |
0.000 |
5 |
|
A |
48 |
11 |
6606 |
x |
A |
-y,x-y,z-1/3 |
2_554 |
53 |
18 |
6606 |
496.5 |
-2.6 |
0.545 |
5 |
4 |
0 |
0.000 |
6 |
|
D |
49 |
11 |
6602 |
x |
D |
-y,x-y-1,z-1/3 |
2_544 |
51 |
18 |
6602 |
488.3 |
-3.5 |
0.509 |
6 |
4 |
0 |
0.000 |
Average: |
494.6 |
-3.3 |
0.482 |
6 |
4 |
0 |
0.000 |
3 |
7 |
|
G |
20 |
4 |
2359 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
6602 |
173.6 |
-1.3 |
0.489 |
0 |
0 |
0 |
0.000 |
4 |
8 |
|
B |
12 |
2 |
6602 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
6606 |
119.9 |
-0.1 |
0.667 |
1 |
0 |
0 |
0.017 |
5 |
9 |
|
D |
9 |
3 |
6602 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
6602 |
85.2 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
H |
7 |
2 |
2536 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
6602 |
61.7 |
1.4 |
0.877 |
1 |
1 |
0 |
0.000 |
7 |
11 |
|
[NI]D:203 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
6602 |
56.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.227 |
8 |
12 |
|
H |
5 |
1 |
2536 |
◊ |
G |
x,y,z |
1_555 |
10 |
2 |
2359 |
55.9 |
0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6606 |
55.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.350 |
14 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6602 |
41.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.350 |
15 |
|
[NI]B:201 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6602 |
39.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.350 |
Average: |
45.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.350 |
10 |
16 |
|
[NI]D:202 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
6602 |
53.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.342 |
17 |
|
[NI]B:203 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
6602 |
50.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.342 |
18 |
|
[NI]A:204 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6606 |
43.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.342 |
Average: |
49.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.342 |
11 |
19 |
|
H |
10 |
4 |
2536 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6606 |
49.2 |
1.3 |
0.886 |
1 |
2 |
0 |
0.000 |
12 |
20 |
|
[NI]D:201 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
6602 |
48.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.291 |
21 |
|
A |
7 |
4 |
6606 |
f |
[NI]A:201 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
115 |
48.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.291 |
22 |
|
[NI]B:202 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6602 |
47.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.291 |
Average: |
48.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.291 |
13 |
23 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6606 |
41.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[NI]B:202 |
1 |
1 |
115 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
4 |
2 |
6602 |
38.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[NI]D:201 |
1 |
1 |
115 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
5 |
3 |
6602 |
36.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
38.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
[NI]A:203 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6606 |
39.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.115 |
27 |
|
[NI]B:201 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6602 |
36.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
38.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.115 |
15 |
28 |
|
[NI]A:203 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
2359 |
37.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.125 |
29 |
|
[NI]B:201 |
1 |
1 |
115 |
f |
H |
x,y,z |
1_555 |
4 |
1 |
2536 |
27.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
32.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.125 |
16 |
30 |
|
[NI]D:203 |
1 |
1 |
115 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
2359 |
37.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
D |
4 |
1 |
6602 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6606 |
24.7 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
18 |
32 |
|
[NI]D:203 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2323 |
7.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
|