| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
59 |
20 |
9120 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
67 |
19 |
9120 |
544.0 |
-1.8 |
0.513 |
3 |
0 |
0 |
0.000 |
2 |
|
A |
54 |
18 |
9120 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
55 |
18 |
9120 |
464.0 |
-1.4 |
0.544 |
1 |
0 |
0 |
0.000 |
3 |
|
[BEN]A:302 |
9 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
34 |
17 |
9120 |
172.6 |
4.6 |
0.409 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
18 |
7 |
9120 |
x |
A |
-x+1/2,-y-1,z-1/2 |
2_544 |
20 |
10 |
9120 |
147.3 |
0.2 |
0.541 |
0 |
0 |
0 |
0.000 |
5 |
|
[SO4]A:303 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
9120 |
95.5 |
-13.7 |
0.780 |
3 |
0 |
0 |
0.028 |
6 |
|
[MOH]A:311 |
2 |
1 |
140 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9120 |
79.4 |
-0.6 |
0.702 |
1 |
0 |
0 |
0.002 |
7 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9120 |
77.2 |
-10.3 |
0.664 |
0 |
0 |
0 |
0.019 |
8 |
|
[MOH]A:317 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9120 |
75.2 |
-0.5 |
0.685 |
0 |
0 |
0 |
0.000 |
9 |
|
[MOH]A:307 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9120 |
71.4 |
-0.9 |
0.676 |
1 |
0 |
0 |
0.002 |
10 |
|
[MOH]A:318 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
9120 |
71.3 |
-0.7 |
0.665 |
0 |
0 |
0 |
0.001 |
11 |
|
[MOH]A:320 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9120 |
70.8 |
-1.6 |
0.323 |
0 |
0 |
0 |
0.003 |
12 |
|
[MOH]A:308 |
2 |
1 |
142 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9120 |
70.0 |
-1.1 |
0.588 |
0 |
0 |
0 |
0.002 |
13 |
|
[MOH]A:313 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
9120 |
68.7 |
-0.9 |
0.604 |
0 |
0 |
0 |
0.002 |
14 |
|
[MOH]A:324 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
9120 |
66.3 |
-0.8 |
0.663 |
0 |
0 |
0 |
0.002 |
15 |
|
[MOH]A:316 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9120 |
64.4 |
-0.7 |
0.562 |
1 |
0 |
0 |
0.002 |
16 |
|
[MOH]A:310 |
2 |
1 |
141 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
9120 |
64.4 |
-0.6 |
0.664 |
0 |
0 |
0 |
0.001 |
17 |
|
[MOH]A:315 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9120 |
64.3 |
0.1 |
0.719 |
1 |
0 |
0 |
0.000 |
18 |
|
[MOH]A:305 |
2 |
1 |
140 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9120 |
63.3 |
-0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
19 |
|
[MOH]A:322 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
9120 |
61.9 |
-0.5 |
0.650 |
2 |
0 |
0 |
0.003 |
20 |
|
[MOH]A:319 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
9120 |
61.9 |
-0.8 |
0.617 |
0 |
0 |
0 |
0.001 |
21 |
|
[MOH]A:321 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9120 |
54.6 |
-0.4 |
0.504 |
1 |
0 |
0 |
0.002 |
22 |
|
[MOH]A:306 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9120 |
53.4 |
-0.6 |
0.584 |
0 |
0 |
0 |
0.001 |
23 |
|
[MOH]A:312 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9120 |
52.6 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
24 |
|
[MOH]A:309 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9120 |
48.6 |
-0.4 |
0.619 |
0 |
0 |
0 |
0.000 |
25 |
|
[MOH]A:323 |
2 |
1 |
141 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9120 |
47.1 |
-0.7 |
0.537 |
0 |
0 |
0 |
0.001 |
26 |
|
A |
7 |
2 |
9120 |
f |
[MOH]A:314 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
141 |
45.5 |
-0.7 |
0.564 |
0 |
0 |
0 |
0.001 |
27 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
9120 |
43.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.023 |
28 |
|
[MOH]A:310 |
2 |
1 |
141 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9120 |
42.4 |
-0.1 |
0.579 |
1 |
0 |
0 |
0.000 |
29 |
|
[MOH]A:308 |
2 |
1 |
142 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
9120 |
40.6 |
0.3 |
0.771 |
0 |
0 |
0 |
0.000 |
30 |
|
[MOH]A:311 |
2 |
1 |
140 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
4 |
9120 |
35.7 |
-0.4 |
0.606 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
4 |
1 |
9120 |
◊ |
[MOH]A:305 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
140 |
35.0 |
-0.5 |
0.382 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
3 |
2 |
9120 |
◊ |
[MOH]A:323 |
-x-1/2,-y-1,z-1/2 |
2_444 |
1 |
1 |
141 |
33.4 |
-0.5 |
0.589 |
0 |
0 |
0 |
0.000 |
33 |
|
[MOH]A:314 |
1 |
1 |
141 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
9120 |
32.8 |
0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]A:303 |
3 |
1 |
184 |
f |
[BEN]A:302 |
x,y,z |
1_555 |
3 |
1 |
280 |
29.9 |
-2.3 |
0.394 |
0 |
0 |
0 |
0.004 |
35 |
|
[MOH]A:317 |
1 |
1 |
141 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
3 |
9120 |
28.6 |
-0.5 |
0.562 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
3 |
1 |
9120 |
◊ |
[MOH]A:313 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
141 |
26.3 |
-0.5 |
0.479 |
0 |
0 |
0 |
0.000 |
37 |
|
[MOH]A:319 |
2 |
1 |
141 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
9120 |
24.7 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
38 |
|
[MOH]A:324 |
2 |
1 |
141 |
f |
[MOH]A:318 |
x,y,z |
1_555 |
2 |
1 |
141 |
23.8 |
-0.5 |
0.750 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
2 |
1 |
9120 |
◊ |
[MOH]A:307 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
141 |
22.2 |
0.8 |
0.689 |
0 |
0 |
0 |
0.000 |
40 |
|
[MOH]A:307 |
2 |
1 |
141 |
f |
[MOH]A:306 |
x,y,z |
1_555 |
1 |
1 |
141 |
20.9 |
-0.4 |
0.612 |
0 |
0 |
0 |
0.000 |
41 |
|
[MOH]A:320 |
1 |
1 |
141 |
◊ |
[MOH]A:306 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
141 |
19.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
1 |
1 |
9120 |
◊ |
[SO4]A:304 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
185 |
17.7 |
-1.5 |
0.886 |
0 |
0 |
0 |
0.000 |
43 |
|
[MOH]A:319 |
2 |
1 |
141 |
◊ |
[MOH]A:306 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
141 |
16.2 |
-0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
44 |
|
[MOH]A:323 |
1 |
1 |
141 |
◊ |
[MOH]A:305 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
140 |
15.4 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
45 |
|
[MOH]A:320 |
2 |
1 |
141 |
f |
[MOH]A:319 |
x,y,z |
1_555 |
1 |
1 |
141 |
15.4 |
-0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
2 |
1 |
9120 |
◊ |
[MOH]A:306 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
141 |
15.4 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
47 |
|
[MOH]A:308 |
2 |
1 |
142 |
◊ |
[MOH]A:307 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
141 |
12.3 |
0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
1 |
1 |
9120 |
◊ |
[MOH]A:318 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
141 |
8.3 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
49 |
|
A |
2 |
1 |
9120 |
x |
A |
-x-1/2,-y-1,z-1/2 |
2_444 |
4 |
2 |
9120 |
7.7 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
50 |
|
[MOH]A:323 |
1 |
1 |
141 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
9120 |
6.8 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
51 |
|
[MOH]A:306 |
1 |
1 |
141 |
f |
[BEN]A:302 |
x,y,z |
1_555 |
1 |
1 |
280 |
4.4 |
0.2 |
0.408 |
0 |
0 |
0 |
0.000 |
52 |
|
[MOH]A:316 |
1 |
1 |
141 |
f |
[SO4]A:304 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.8 |
-0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
53 |
|
[MOH]A:321 |
1 |
1 |
141 |
◊ |
A |
-x+1/2,-y-1,z-1/2 |
2_544 |
1 |
1 |
9120 |
1.9 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
54 |
|
[MOH]A:315 |
1 |
1 |
141 |
◊ |
A |
-x+1/2,-y-1,z-1/2 |
2_544 |
1 |
1 |
9120 |
0.9 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
|