| ## |
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 |
114 |
30 |
15272 |
◊ |
A |
x,y,z |
1_555 |
102 |
26 |
15105 |
1040.7 |
-12.2 |
0.129 |
8 |
4 |
0 |
0.232 |
| 2 |
2 |
|
A |
82 |
26 |
15105 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
68 |
17 |
15272 |
686.1 |
-12.4 |
0.057 |
2 |
0 |
0 |
0.195 |
| 3 |
3 |
|
B |
63 |
19 |
15272 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
67 |
19 |
15105 |
609.0 |
-2.7 |
0.585 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
40 |
12 |
15105 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
4_445 |
46 |
16 |
15272 |
386.8 |
-1.8 |
0.580 |
3 |
2 |
0 |
0.000 |
| 5 |
5 |
|
A |
34 |
11 |
15105 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
13 |
15272 |
344.4 |
-0.6 |
0.646 |
8 |
5 |
0 |
0.000 |
| 6 |
6 |
|
A |
34 |
12 |
15105 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
31 |
8 |
15105 |
281.2 |
0.3 |
0.748 |
7 |
4 |
0 |
0.000 |
| 7 |
7 |
|
B |
25 |
9 |
15272 |
x |
B |
x-1,y,z |
1_455 |
26 |
10 |
15272 |
223.8 |
0.6 |
0.733 |
7 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[2D0]A:900 |
11 |
1 |
320 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
15105 |
222.6 |
-7.1 |
0.241 |
1 |
0 |
0 |
0.110 |
| 9 |
9 |
|
A |
10 |
5 |
15105 |
x |
A |
x-1,y,z |
1_455 |
12 |
4 |
15105 |
102.7 |
-0.1 |
0.531 |
2 |
0 |
0 |
0.000 |
| 10 |
10 |
|
B |
9 |
4 |
15272 |
x |
B |
x-1/2,-y+1/2,-z |
3_455 |
8 |
4 |
15272 |
67.4 |
0.2 |
0.670 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NI]A:902 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
15105 |
67.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.293 |
12 |
|
[NI]B:902 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
15272 |
65.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.293 |
| Average: |
66.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.293 |
| 12 |
13 |
|
A |
7 |
4 |
15105 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
10 |
4 |
15272 |
57.2 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[NI]B:901 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
15272 |
55.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.278 |
15 |
|
[NI]A:901 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15105 |
54.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.278 |
| Average: |
55.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.278 |
| 14 |
16 |
|
[2D0]A:900 |
4 |
1 |
320 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
8 |
3 |
15272 |
51.5 |
-0.5 |
0.523 |
0 |
0 |
0 |
0.007 |
| 15 |
17 |
|
B |
6 |
3 |
15272 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
15105 |
43.1 |
0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[NI]B:902 |
1 |
1 |
115 |
f |
[NI]B:901 |
x,y,z |
1_555 |
1 |
1 |
115 |
20.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.059 |
| 17 |
19 |
|
[NI]A:902 |
1 |
1 |
115 |
f |
[NI]A:901 |
x,y,z |
1_555 |
1 |
1 |
115 |
19.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.056 |
|