| ## |
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 |
|
A |
58 |
16 |
9985 |
◊ |
B |
-y+1,x,z |
3_655 |
57 |
16 |
9976 |
531.1 |
0.2 |
0.707 |
4 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
54 |
18 |
9976 |
x |
B |
-y+1,x+1,z |
3_665 |
63 |
20 |
9976 |
523.1 |
-6.6 |
0.166 |
4 |
0 |
0 |
0.245 |
3 |
|
A |
47 |
17 |
9985 |
x |
A |
-y+1,x,z |
3_655 |
47 |
18 |
9985 |
437.7 |
-7.3 |
0.074 |
3 |
0 |
0 |
0.245 |
| Average: |
480.4 |
-7.0 |
0.120 |
4 |
0 |
0 |
0.245 |
| 3 |
4 |
|
B |
59 |
19 |
9976 |
x |
B |
x,y,z-1 |
1_554 |
49 |
15 |
9976 |
490.0 |
-2.4 |
0.489 |
8 |
1 |
0 |
0.000 |
5 |
|
A |
45 |
14 |
9985 |
x |
A |
x,y,z-1 |
1_554 |
61 |
18 |
9985 |
481.2 |
-2.1 |
0.471 |
6 |
0 |
0 |
0.000 |
| Average: |
485.6 |
-2.2 |
0.480 |
7 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
53 |
15 |
9976 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
9985 |
429.4 |
4.2 |
0.870 |
8 |
2 |
0 |
0.000 |
| 5 |
7 |
|
A |
32 |
12 |
9985 |
◊ |
B |
-x,-y+1,z-1 |
2_564 |
41 |
16 |
9976 |
333.4 |
-2.7 |
0.356 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
27 |
9 |
9976 |
◊ |
A |
-x,-y+1,z |
2_565 |
37 |
13 |
9985 |
273.7 |
0.1 |
0.673 |
5 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
22 |
8 |
9985 |
◊ |
B |
x,y,z-1 |
1_554 |
38 |
14 |
9976 |
259.3 |
-1.9 |
0.429 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
21 |
7 |
9985 |
◊ |
B |
-y+1,x,z-1 |
3_654 |
22 |
8 |
9976 |
218.0 |
-2.0 |
0.354 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[PBZ]A:301 |
10 |
1 |
300 |
◊ |
A |
x,y,z |
1_555 |
37 |
16 |
9985 |
196.2 |
4.2 |
0.389 |
5 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[PBZ]B:302 |
10 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
33 |
16 |
9976 |
190.2 |
4.3 |
0.393 |
6 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[NA]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
9985 |
66.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.273 |
| 12 |
14 |
|
[NI]B:406 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9976 |
58.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.240 |
15 |
|
[NI]A:405 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9985 |
56.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.240 |
| Average: |
57.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.240 |
| 13 |
16 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
-y+1,x+1,z |
3_665 |
11 |
6 |
9976 |
54.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.224 |
17 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9985 |
53.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.224 |
| Average: |
54.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.224 |
| 14 |
18 |
|
[NI]B:407 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9976 |
53.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.179 |
| 15 |
19 |
|
A |
7 |
4 |
9985 |
◊ |
[NI]B:407 |
-y+1,x,z-1 |
3_654 |
1 |
1 |
115 |
46.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[NI]A:408 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9985 |
43.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.094 |
| 17 |
21 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9976 |
42.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.160 |
22 |
|
[CL]A:404 |
1 |
1 |
125 |
◊ |
A |
-y+1,x,z |
3_655 |
7 |
4 |
9985 |
42.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.160 |
| Average: |
42.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.160 |
| 18 |
23 |
|
[PBZ]B:302 |
4 |
1 |
302 |
f |
B |
-y+1,x+1,z |
3_665 |
5 |
2 |
9976 |
33.6 |
0.0 |
0.042 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
A |
3 |
2 |
9985 |
f |
[PBZ]A:301 |
-y+1,x,z |
3_655 |
3 |
1 |
300 |
21.0 |
-0.1 |
0.043 |
0 |
0 |
0 |
0.002 |
| 20 |
25 |
|
[NI]A:408 |
1 |
1 |
115 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
9985 |
20.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
A |
3 |
1 |
9985 |
◊ |
[NI]B:406 |
-x,-y+1,z-1 |
2_564 |
1 |
1 |
115 |
19.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
B |
4 |
2 |
9976 |
◊ |
B |
-x,-y+1,z |
2_565 |
4 |
2 |
9976 |
19.2 |
0.6 |
0.796 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
A |
1 |
1 |
9985 |
◊ |
[NA]A:401 |
-y+1,x,z |
3_655 |
1 |
1 |
125 |
5.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| 24 |
29 |
|
[NI]A:405 |
1 |
1 |
115 |
◊ |
B |
-x,-y+1,z-1 |
2_564 |
2 |
1 |
9976 |
3.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|