## |
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 |
36 |
8 |
2467 |
◊ |
C |
x,y,z |
1_555 |
33 |
8 |
2227 |
354.9 |
-1.5 |
0.693 |
14 |
0 |
0 |
0.023 |
2 |
2 |
|
B |
36 |
8 |
2239 |
◊ |
A |
x,y,z |
1_555 |
37 |
8 |
2252 |
354.7 |
-1.8 |
0.720 |
14 |
0 |
0 |
0.031 |
3 |
3 |
|
D |
22 |
5 |
2467 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
22 |
5 |
2467 |
200.0 |
3.0 |
0.806 |
6 |
0 |
0 |
0.000 |
4 |
4 |
|
C |
25 |
3 |
2227 |
◊ |
A |
x,y,z |
1_555 |
29 |
4 |
2252 |
181.5 |
5.6 |
0.936 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
24 |
3 |
2252 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
4 |
2227 |
176.5 |
5.9 |
0.943 |
2 |
0 |
0 |
0.000 |
Average: |
179.0 |
5.7 |
0.939 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
28 |
4 |
2239 |
◊ |
D |
x-1,y,z |
1_455 |
26 |
3 |
2467 |
179.2 |
5.4 |
0.905 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
D |
28 |
4 |
2467 |
◊ |
B |
x,y,z |
1_555 |
23 |
2 |
2239 |
178.0 |
6.1 |
0.910 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
25 |
3 |
2252 |
◊ |
D |
x-1,y,z |
1_455 |
25 |
3 |
2467 |
176.4 |
-0.1 |
0.702 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
C |
25 |
3 |
2227 |
◊ |
B |
x,y,z |
1_555 |
24 |
3 |
2239 |
173.5 |
0.2 |
0.755 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
D |
7 |
1 |
2467 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
3 |
2227 |
56.9 |
-1.5 |
0.418 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
6 |
1 |
2252 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
7 |
1 |
2227 |
52.7 |
-1.7 |
0.439 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[NI]C:1 |
1 |
1 |
115 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
2227 |
51.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.100 |
13 |
|
[NI]A:12 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
2252 |
48.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.100 |
14 |
|
[NI]B:7 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
2239 |
46.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
49.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.100 |
12 |
15 |
|
[NI]B:5 |
1 |
1 |
115 |
c |
B |
x,y,z |
1_555 |
6 |
1 |
2239 |
46.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
|
[NI]A:11 |
1 |
1 |
115 |
c |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
6 |
1 |
2227 |
41.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[NI]A:11 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
2252 |
39.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
42.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[NI]D:9 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
2467 |
46.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.049 |
14 |
19 |
|
[NI]D:2 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
5 |
1 |
2467 |
44.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.039 |
15 |
20 |
|
[NI]A:14 |
1 |
1 |
115 |
f |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
5 |
2 |
2227 |
36.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.040 |
21 |
|
[NI]A:13 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
2252 |
32.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
34.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.040 |
16 |
22 |
|
[NI]A:13 |
1 |
1 |
115 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
6 |
1 |
2227 |
33.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[NI]A:14 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2252 |
28.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[NI]B:5 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
2467 |
19.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
18 |
25 |
|
D |
3 |
1 |
2467 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2252 |
19.7 |
-1.4 |
0.337 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
B |
2 |
1 |
2239 |
◊ |
[NI]D:2 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
18.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[NI]A:11 |
1 |
1 |
115 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
3 |
1 |
2252 |
12.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[NI]A:11 |
1 |
1 |
115 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
2227 |
11.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
C |
2 |
1 |
2227 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
2 |
1 |
2252 |
16.7 |
-0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
B |
3 |
1 |
2239 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
2227 |
14.3 |
-1.0 |
0.386 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[NI]A:13 |
1 |
1 |
115 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
4 |
2 |
2239 |
13.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[NI]D:9 |
1 |
1 |
115 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
1 |
2467 |
10.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
B |
1 |
1 |
2239 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
2252 |
7.8 |
-0.8 |
0.177 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[NI]D:9 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2239 |
6.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[NI]A:12 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2227 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
1 |
1 |
2252 |
◊ |
[NI]C:1 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
5.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[NI]C:1 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2467 |
6.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
27 |
38 |
|
[NI]B:7 |
1 |
1 |
115 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
2467 |
5.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
B |
1 |
1 |
2239 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
2239 |
3.9 |
-0.4 |
0.185 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[NI]B:7 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
2252 |
3.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
41 |
|
[NI]A:12 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2239 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
42 |
|
[NI]D:9 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2227 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
30 |
43 |
|
[NI]A:14 |
1 |
1 |
115 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
2467 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
A |
2 |
1 |
2252 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
2252 |
0.7 |
0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
|