| ## |
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 |
75 |
18 |
6153 |
x |
B |
-x,y-1/2,-z |
2_545 |
75 |
23 |
6153 |
703.3 |
-3.0 |
0.574 |
7 |
8 |
0 |
0.000 |
2 |
|
A |
76 |
23 |
6152 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
76 |
18 |
6152 |
702.0 |
-3.1 |
0.562 |
4 |
8 |
0 |
0.000 |
| Average: |
702.6 |
-3.0 |
0.568 |
6 |
8 |
0 |
0.000 |
| 2 |
3 |
|
B |
40 |
11 |
6153 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
6152 |
432.4 |
-3.4 |
0.400 |
4 |
1 |
0 |
0.000 |
4 |
|
A |
40 |
11 |
6152 |
◊ |
B |
x-1,y,z |
1_455 |
48 |
14 |
6153 |
431.8 |
-3.4 |
0.405 |
2 |
1 |
0 |
0.000 |
| Average: |
432.1 |
-3.4 |
0.402 |
3 |
1 |
0 |
0.000 |
| 3 |
5 |
|
[NUT]B:201 |
33 |
1 |
750 |
f |
B |
x,y,z |
1_555 |
54 |
19 |
6153 |
415.5 |
-12.6 |
0.266 |
1 |
0 |
0 |
0.038 |
6 |
|
[NUT]A:201 |
32 |
1 |
749 |
f |
A |
x,y,z |
1_555 |
53 |
19 |
6152 |
414.6 |
-12.7 |
0.257 |
1 |
0 |
0 |
0.038 |
| Average: |
415.0 |
-12.6 |
0.262 |
1 |
0 |
0 |
0.038 |
| 4 |
7 |
|
A |
24 |
6 |
6152 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
26 |
9 |
6153 |
204.2 |
-1.0 |
0.541 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
25 |
8 |
6152 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
23 |
6 |
6153 |
202.2 |
-1.2 |
0.518 |
1 |
0 |
0 |
0.000 |
| Average: |
203.2 |
-1.1 |
0.530 |
1 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[IOD]B:204 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
6153 |
87.4 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.000 |
10 |
|
[IOD]A:204 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
6152 |
86.5 |
-0.3 |
0.709 |
0 |
0 |
0 |
0.000 |
| Average: |
87.0 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.001 |
| 6 |
11 |
|
B |
9 |
3 |
6153 |
x |
B |
x,y-1,z |
1_545 |
14 |
4 |
6153 |
78.1 |
-0.9 |
0.490 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
14 |
4 |
6152 |
x |
A |
x,y-1,z |
1_545 |
9 |
3 |
6152 |
74.7 |
-0.8 |
0.499 |
0 |
0 |
0 |
0.000 |
| Average: |
76.4 |
-0.8 |
0.494 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
4 |
6152 |
74.5 |
-11.1 |
0.730 |
0 |
0 |
0 |
0.032 |
| 8 |
14 |
|
B |
13 |
4 |
6153 |
f |
[SO4]B:202 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
74.0 |
-10.8 |
0.734 |
2 |
0 |
0 |
0.033 |
| 9 |
15 |
|
[IOD]B:206 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6153 |
68.4 |
-0.6 |
0.609 |
0 |
0 |
0 |
0.002 |
16 |
|
A |
11 |
5 |
6152 |
f |
[IOD]B:205 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
67.7 |
-0.6 |
0.612 |
0 |
0 |
0 |
0.002 |
| Average: |
68.1 |
-0.6 |
0.610 |
0 |
0 |
0 |
0.002 |
| 10 |
17 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6153 |
49.7 |
-5.6 |
0.839 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[IOD]B:206 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
6152 |
49.3 |
-0.5 |
0.672 |
0 |
0 |
0 |
0.000 |
19 |
|
[IOD]B:205 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
6153 |
48.9 |
-0.5 |
0.664 |
0 |
0 |
0 |
0.000 |
| Average: |
49.1 |
-0.5 |
0.668 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
A |
7 |
3 |
6152 |
◊ |
[SO4]A:202 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
186 |
48.3 |
-5.5 |
0.814 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
6153 |
41.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.015 |
22 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6152 |
41.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
41.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 14 |
23 |
|
B |
3 |
2 |
6153 |
◊ |
[SO4]B:202 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
186 |
38.7 |
-3.7 |
0.963 |
2 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[SO4]A:202 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6152 |
38.5 |
-3.7 |
0.963 |
2 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
[NUT]A:201 |
x,y,z |
1_555 |
7 |
1 |
749 |
37.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.013 |
26 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
[NUT]B:201 |
x,y,z |
1_555 |
7 |
1 |
750 |
36.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
37.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 17 |
27 |
|
[NUT]A:201 |
3 |
1 |
749 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
6153 |
31.8 |
0.2 |
0.566 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
5 |
1 |
6152 |
◊ |
[NUT]B:201 |
x-1,y,z |
1_455 |
3 |
1 |
750 |
31.1 |
0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
| Average: |
31.4 |
0.2 |
0.570 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6153 |
15.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
1 |
1 |
6152 |
◊ |
[CL]B:203 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
15.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
15.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[NUT]A:201 |
1 |
1 |
749 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
3 |
2 |
6153 |
11.5 |
-0.2 |
0.449 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
3 |
2 |
6152 |
◊ |
[NUT]B:201 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
750 |
11.2 |
-0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| Average: |
11.4 |
-0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
A |
1 |
1 |
6152 |
◊ |
[NUT]A:201 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
749 |
2.1 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.000 |
34 |
|
[NUT]B:201 |
1 |
1 |
750 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6153 |
2.0 |
-0.2 |
0.487 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
-0.2 |
0.494 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
A |
1 |
1 |
6152 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
6153 |
0.6 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
|