## |
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 |
37 |
8 |
2446 |
◊ |
C |
x,y,z |
1_555 |
35 |
8 |
2221 |
360.9 |
-3.3 |
0.597 |
20 |
0 |
0 |
0.382 |
2 |
2 |
|
B |
36 |
8 |
2240 |
◊ |
A |
x,y,z |
1_555 |
38 |
8 |
2312 |
360.2 |
-3.7 |
0.581 |
21 |
0 |
0 |
0.386 |
3 |
3 |
|
C |
28 |
3 |
2221 |
◊ |
A |
x,y,z |
1_555 |
30 |
4 |
2312 |
203.2 |
5.0 |
0.891 |
2 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
32 |
4 |
2240 |
◊ |
D |
x-1,y,z |
1_455 |
26 |
3 |
2446 |
199.9 |
5.7 |
0.902 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
27 |
3 |
2312 |
◊ |
C |
x-1,y,z |
1_455 |
32 |
5 |
2221 |
197.4 |
5.8 |
0.912 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
D |
19 |
4 |
2446 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
19 |
4 |
2446 |
192.1 |
0.2 |
0.641 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
D |
29 |
4 |
2446 |
◊ |
B |
x,y,z |
1_555 |
25 |
3 |
2240 |
187.8 |
5.2 |
0.880 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
C |
25 |
3 |
2221 |
◊ |
B |
x,y,z |
1_555 |
23 |
3 |
2240 |
177.4 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
24 |
3 |
2312 |
◊ |
D |
x-1,y,z |
1_455 |
24 |
3 |
2446 |
173.7 |
0.6 |
0.687 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
[NI]A:300 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
2312 |
51.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.442 |
11 |
|
[NI]B:600 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
2240 |
50.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.442 |
12 |
|
[NI]C:800 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
2221 |
50.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.442 |
Average: |
50.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.442 |
11 |
13 |
|
D |
7 |
1 |
2446 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
4 |
2221 |
46.9 |
-0.6 |
0.477 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
6 |
1 |
2312 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
6 |
1 |
2221 |
45.1 |
-1.3 |
0.442 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[NI]D:500 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
2446 |
44.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.181 |
14 |
16 |
|
[NI]D:400 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
6 |
1 |
2446 |
44.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.168 |
15 |
17 |
|
[NI]B:200 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
2240 |
44.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
|
[NI]A:100 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2312 |
40.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
|
[NI]A:100 |
1 |
1 |
115 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
5 |
1 |
2221 |
39.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
41.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[NI]A:700 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
2312 |
36.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.158 |
17 |
21 |
|
[NI]A:700 |
1 |
1 |
115 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
6 |
1 |
2221 |
29.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
B |
3 |
1 |
2240 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
2221 |
19.1 |
-1.3 |
0.361 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[NI]B:200 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
2446 |
18.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.043 |
20 |
24 |
|
D |
3 |
1 |
2446 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2312 |
16.8 |
-1.2 |
0.336 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
C |
2 |
1 |
2221 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
3 |
1 |
2312 |
16.8 |
-0.2 |
0.431 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
2 |
1 |
2240 |
◊ |
[NI]D:400 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
16.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[NI]A:100 |
1 |
1 |
115 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
2312 |
13.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[NI]A:100 |
1 |
1 |
115 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
2221 |
12.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
A |
2 |
1 |
2312 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
4 |
2 |
2312 |
13.6 |
-0.3 |
0.390 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[NI]D:500 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2240 |
10.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
1 |
1 |
2312 |
◊ |
[NI]C:800 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
8.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[NI]A:300 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2221 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[NI]B:600 |
1 |
1 |
115 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
2446 |
8.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[NI]A:300 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2240 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
35 |
|
[NI]A:700 |
1 |
1 |
115 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
2 |
2240 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[NI]C:800 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2446 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
|