| ## |
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 |
|
[HEC]B:201 |
43 |
1 |
840 |
cf |
B |
x,y,z |
1_555 |
79 |
35 |
6196 |
606.4 |
-25.3 |
0.193 |
8 |
0 |
0 |
0.720 |
2 |
|
[HEC]A:201 |
43 |
1 |
838 |
cf |
A |
x,y,z |
1_555 |
84 |
34 |
6134 |
577.7 |
-23.8 |
0.252 |
9 |
0 |
0 |
0.720 |
| Average: |
592.0 |
-24.6 |
0.223 |
9 |
0 |
0 |
0.720 |
| 2 |
3 |
|
B |
54 |
15 |
6196 |
◊ |
A |
x,y,z |
1_555 |
60 |
15 |
6134 |
490.5 |
3.8 |
0.907 |
10 |
4 |
0 |
0.000 |
| 3 |
4 |
|
B |
47 |
13 |
6196 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
47 |
13 |
6196 |
410.1 |
-6.2 |
0.253 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
41 |
12 |
6134 |
◊ |
A |
x,-y,-z |
4_555 |
41 |
12 |
6134 |
396.0 |
-5.3 |
0.224 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
38 |
12 |
6196 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
34 |
11 |
6196 |
309.3 |
-2.8 |
0.435 |
0 |
0 |
0 |
0.035 |
| 6 |
7 |
|
A |
34 |
11 |
6134 |
x |
A |
x-1,y,z |
1_455 |
34 |
11 |
6134 |
303.1 |
-1.9 |
0.527 |
2 |
1 |
0 |
0.000 |
| 7 |
8 |
|
A |
35 |
14 |
6134 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
39 |
12 |
6196 |
302.4 |
-1.5 |
0.584 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[6VJ]B:202 |
29 |
1 |
833 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
32 |
10 |
6196 |
267.9 |
-3.0 |
0.403 |
2 |
0 |
0 |
0.097 |
| 9 |
10 |
|
A |
26 |
9 |
6134 |
x |
A |
x-1/2,-y-1/2,-z |
8_445 |
22 |
6 |
6134 |
238.0 |
-4.0 |
0.209 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[6VJ]B:202 |
36 |
1 |
833 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
6196 |
218.0 |
-3.9 |
0.329 |
3 |
0 |
0 |
0.132 |
| 11 |
12 |
|
[6VJ]B:202 |
24 |
1 |
833 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
26 |
7 |
6196 |
182.0 |
1.7 |
0.706 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
21 |
6 |
6196 |
x |
B |
x-1/2,y-1/2,z |
5_445 |
18 |
7 |
6196 |
181.5 |
2.6 |
0.796 |
3 |
2 |
0 |
0.000 |
| 13 |
14 |
|
A |
13 |
3 |
6134 |
x |
A |
x-1/2,y-1/2,z |
5_445 |
17 |
7 |
6134 |
139.8 |
0.1 |
0.667 |
2 |
1 |
0 |
0.000 |
| 14 |
15 |
|
B |
13 |
4 |
6196 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
12 |
4 |
6134 |
105.9 |
0.5 |
0.714 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
B |
6 |
2 |
6196 |
x |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
10 |
3 |
6196 |
68.8 |
-0.6 |
0.534 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[NO3]A:202 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
6134 |
63.2 |
0.7 |
0.458 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[NO3]A:202 |
4 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
6196 |
61.9 |
0.6 |
0.462 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[6VJ]B:202 |
6 |
1 |
833 |
◊ |
[6VJ]B:202 |
-x,y,-z-1/2 |
3_554 |
6 |
1 |
833 |
43.4 |
-1.3 |
0.304 |
0 |
0 |
0 |
0.016 |
| 19 |
20 |
|
[HEC]B:201 |
2 |
1 |
840 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
4 |
2 |
6196 |
37.5 |
-0.7 |
0.544 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
B |
7 |
4 |
6196 |
x |
B |
x-1/2,y+1/2,z |
5_455 |
5 |
2 |
6196 |
37.3 |
0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[HEC]A:201 |
3 |
1 |
838 |
◊ |
A |
x,-y,-z |
4_555 |
3 |
2 |
6134 |
37.0 |
-0.9 |
0.437 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[6VJ]B:202 |
4 |
1 |
833 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
3 |
1 |
6196 |
32.1 |
0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[HEC]A:201 |
1 |
1 |
838 |
◊ |
[HEC]A:201 |
x,-y,-z |
4_555 |
1 |
1 |
838 |
27.2 |
-0.9 |
0.302 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
A |
2 |
1 |
6134 |
x |
A |
x-1/2,y+1/2,z |
5_455 |
2 |
1 |
6134 |
16.4 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[6VJ]B:202 |
1 |
1 |
833 |
◊ |
[HEC]B:201 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
840 |
3.3 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
|