| ## |
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 |
76 |
19 |
15967 |
◊ |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
77 |
20 |
15953 |
787.1 |
6.8 |
0.833 |
12 |
25 |
0 |
0.000 |
| 2 |
2 |
|
B |
58 |
18 |
15953 |
x |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
64 |
18 |
15953 |
547.0 |
1.8 |
0.541 |
7 |
5 |
0 |
0.000 |
| 3 |
3 |
|
A |
55 |
16 |
15967 |
x |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
62 |
19 |
15967 |
531.8 |
1.2 |
0.555 |
7 |
6 |
0 |
0.000 |
| 4 |
4 |
|
B |
49 |
16 |
15953 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
15967 |
432.1 |
3.2 |
0.724 |
5 |
2 |
0 |
0.000 |
| 5 |
5 |
|
B |
42 |
14 |
15953 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
38 |
11 |
15967 |
398.8 |
4.4 |
0.821 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[FXB]A:410 |
24 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
53 |
18 |
15967 |
384.2 |
-9.7 |
0.175 |
0 |
0 |
0 |
0.011 |
7 |
|
[FXB]B:410 |
24 |
1 |
535 |
f |
B |
x,y,z |
1_555 |
55 |
20 |
15953 |
380.4 |
-9.4 |
0.189 |
1 |
0 |
0 |
0.011 |
| Average: |
382.3 |
-9.5 |
0.182 |
1 |
0 |
0 |
0.011 |
| 7 |
8 |
|
B |
17 |
6 |
15953 |
◊ |
A |
-x+1,-y,z-1/2 |
2_654 |
19 |
8 |
15967 |
163.8 |
1.4 |
0.689 |
3 |
4 |
0 |
0.000 |
| 8 |
9 |
|
[SO4]B:404 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15953 |
117.7 |
-16.5 |
0.716 |
4 |
0 |
0 |
0.020 |
| 9 |
10 |
|
[SO4]A:405 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
15967 |
113.0 |
-15.9 |
0.717 |
6 |
0 |
0 |
0.019 |
| 10 |
11 |
|
[SO4]B:406 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
15953 |
109.0 |
-13.9 |
0.853 |
4 |
0 |
0 |
0.017 |
| 11 |
12 |
|
[SO4]B:407 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15953 |
106.7 |
-12.2 |
0.830 |
1 |
0 |
0 |
0.014 |
| 12 |
13 |
|
[SO4]A:408 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15967 |
103.4 |
-13.6 |
0.774 |
4 |
0 |
0 |
0.016 |
| 13 |
14 |
|
[EDO]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
15967 |
102.8 |
3.2 |
0.433 |
3 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[SO4]A:407 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15967 |
102.8 |
-13.0 |
0.836 |
3 |
0 |
0 |
0.015 |
| 15 |
16 |
|
[SO4]A:406 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15967 |
101.5 |
-15.0 |
0.746 |
6 |
0 |
0 |
0.018 |
| 16 |
17 |
|
[EDO]B:401 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
15953 |
95.3 |
2.8 |
0.426 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]A:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
15967 |
87.9 |
3.5 |
0.309 |
2 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[SO4]B:405 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15953 |
85.4 |
-11.4 |
0.865 |
6 |
0 |
0 |
0.015 |
| 19 |
20 |
|
[EDO]B:403 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15953 |
83.8 |
1.3 |
0.176 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
A |
14 |
6 |
15967 |
f |
[EDO]B:403 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
183 |
83.1 |
1.3 |
0.166 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[SO4]B:408 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15953 |
81.8 |
-7.2 |
0.945 |
3 |
0 |
0 |
0.009 |
| 22 |
23 |
|
[NA]B:409 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15953 |
75.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 23 |
24 |
|
[EDO]B:402 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
15953 |
73.8 |
1.1 |
0.520 |
3 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[SO4]A:409 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15967 |
72.5 |
-7.7 |
0.937 |
2 |
0 |
0 |
0.009 |
| 25 |
26 |
|
[EDO]A:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
15967 |
68.8 |
1.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15967 |
68.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 27 |
28 |
|
[SO4]B:408 |
4 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
12 |
3 |
15967 |
60.7 |
-7.1 |
0.832 |
3 |
0 |
0 |
0.004 |
| 28 |
29 |
|
[SO4]A:406 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
7 |
3 |
15953 |
45.7 |
-4.5 |
0.936 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
A |
5 |
1 |
15967 |
f |
[EDO]A:402 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
4 |
1 |
184 |
43.4 |
0.9 |
0.683 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
B |
6 |
2 |
15953 |
◊ |
[SO4]A:409 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
4 |
1 |
185 |
42.3 |
-4.7 |
0.824 |
0 |
0 |
0 |
0.002 |
| 31 |
32 |
|
B |
5 |
1 |
15953 |
f |
[EDO]B:401 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
4 |
1 |
184 |
42.3 |
0.5 |
0.475 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]B:402 |
2 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
5 |
1 |
15967 |
40.1 |
1.3 |
0.566 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[SO4]A:409 |
4 |
1 |
185 |
f |
[EDO]A:403 |
x,y,z |
1_555 |
2 |
1 |
184 |
37.9 |
-2.7 |
0.707 |
0 |
0 |
0 |
0.003 |
| 34 |
35 |
|
B |
3 |
1 |
15953 |
◊ |
[CL]A:404 |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
125 |
27.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[SO4]B:408 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15967 |
24.4 |
-2.0 |
0.943 |
1 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[SO4]A:409 |
4 |
1 |
185 |
f |
[SO4]A:408 |
x,y,z |
1_555 |
4 |
1 |
185 |
22.4 |
-4.8 |
0.998 |
0 |
0 |
0 |
0.005 |
| 37 |
38 |
|
[SO4]B:408 |
1 |
1 |
185 |
f |
[SO4]B:407 |
x,y,z |
1_555 |
4 |
1 |
185 |
18.0 |
-4.0 |
0.894 |
0 |
0 |
0 |
0.004 |
| 38 |
39 |
|
B |
2 |
1 |
15953 |
◊ |
[SO4]A:405 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
185 |
16.6 |
-1.6 |
0.850 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[EDO]A:401 |
2 |
1 |
184 |
f |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
2 |
15953 |
14.7 |
0.2 |
0.794 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[EDO]B:402 |
1 |
1 |
185 |
◊ |
[SO4]A:408 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
185 |
12.2 |
-1.1 |
0.894 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[SO4]B:404 |
4 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
3 |
1 |
15967 |
11.6 |
-0.9 |
0.880 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[EDO]B:402 |
1 |
1 |
185 |
◊ |
[SO4]A:409 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
185 |
7.1 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
A |
2 |
1 |
15967 |
◊ |
[SO4]B:405 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
185 |
6.2 |
-0.7 |
0.727 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
B |
1 |
1 |
15953 |
◊ |
[EDO]B:402 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
185 |
4.9 |
0.3 |
0.928 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[SO4]B:407 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15967 |
2.8 |
-0.3 |
0.801 |
0 |
0 |
0 |
0.000 |
|