## |
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 |
109 |
29 |
8164 |
◊ |
A |
x,y,z |
1_555 |
110 |
30 |
8110 |
1016.3 |
-10.7 |
0.249 |
12 |
2 |
0 |
0.516 |
2 |
|
D |
91 |
23 |
7698 |
◊ |
C |
x,y,z |
1_555 |
94 |
24 |
8021 |
866.6 |
-10.6 |
0.185 |
13 |
2 |
0 |
0.516 |
Average: |
941.4 |
-10.6 |
0.217 |
13 |
2 |
0 |
0.516 |
2 |
3 |
|
C |
38 |
12 |
8021 |
◊ |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
36 |
12 |
8110 |
337.6 |
-2.4 |
0.478 |
2 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
32 |
9 |
8110 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
32 |
11 |
8164 |
269.6 |
-2.7 |
0.324 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
27 |
9 |
8164 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
30 |
8 |
8110 |
241.6 |
0.2 |
0.742 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
C |
24 |
7 |
8021 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
9 |
8110 |
233.6 |
-2.6 |
0.185 |
1 |
0 |
0 |
0.004 |
6 |
7 |
|
B |
24 |
10 |
8164 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
31 |
11 |
7698 |
225.2 |
-0.1 |
0.693 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
31 |
11 |
8164 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
17 |
6 |
8164 |
220.6 |
-3.8 |
0.186 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
D |
25 |
9 |
7698 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
7 |
8110 |
215.3 |
-3.0 |
0.171 |
0 |
0 |
0 |
0.004 |
9 |
10 |
|
C |
23 |
8 |
8021 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
5 |
7698 |
180.2 |
-3.5 |
0.069 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
C |
17 |
9 |
8021 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
30 |
10 |
8110 |
175.1 |
1.7 |
0.788 |
1 |
2 |
0 |
0.000 |
11 |
12 |
|
C |
23 |
10 |
8021 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
8 |
7698 |
155.5 |
-0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
C |
8 |
3 |
8021 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
8 |
8021 |
139.0 |
-1.6 |
0.300 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
D |
18 |
8 |
7698 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
5 |
8110 |
129.2 |
0.6 |
0.761 |
0 |
3 |
0 |
0.000 |
14 |
15 |
|
D |
16 |
6 |
7698 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
15 |
6 |
8164 |
126.1 |
-1.5 |
0.372 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
D |
16 |
6 |
7698 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
6 |
8021 |
119.3 |
-0.8 |
0.333 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
A |
12 |
5 |
8110 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
16 |
6 |
7698 |
114.2 |
-0.5 |
0.574 |
1 |
2 |
0 |
0.000 |
17 |
18 |
|
[NI]A:200 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8110 |
56.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.494 |
19 |
|
[NI]C:200 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
8021 |
44.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.494 |
20 |
|
[NI]D:200 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
7698 |
44.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.494 |
21 |
|
[NI]B:200 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8164 |
44.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.494 |
Average: |
47.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.494 |
18 |
22 |
|
C |
7 |
2 |
8021 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
8164 |
41.1 |
-0.4 |
0.502 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
C |
4 |
1 |
8021 |
◊ |
[NI]C:200 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
115 |
40.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[NI]B:200 |
1 |
1 |
115 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
8164 |
39.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[NI]D:200 |
1 |
1 |
115 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
1 |
8110 |
38.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.005 |
22 |
26 |
|
C |
8 |
5 |
8021 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
8164 |
29.8 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
A |
2 |
1 |
8110 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
7698 |
24.2 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
C |
4 |
2 |
8021 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8164 |
19.0 |
-0.3 |
0.475 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
D |
2 |
1 |
7698 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
7698 |
11.6 |
-0.4 |
0.341 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
D |
3 |
2 |
7698 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
8164 |
10.2 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[NI]A:200 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8164 |
5.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.034 |
32 |
|
[NI]B:200 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8110 |
5.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.034 |
33 |
|
[NI]D:200 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8021 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.034 |
34 |
|
[NI]C:200 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7698 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
4.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.034 |
28 |
35 |
|
D |
3 |
2 |
7698 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8164 |
4.7 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
|