| ## |
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 |
276 |
74 |
21262 |
◊ |
A |
x,y,z |
1_555 |
276 |
77 |
21637 |
2824.3 |
-35.0 |
0.026 |
39 |
13 |
0 |
0.396 |
| 2 |
2 |
|
A |
55 |
15 |
21637 |
◊ |
A |
-x,-x+y,-z |
6_555 |
56 |
15 |
21637 |
537.2 |
-3.5 |
0.409 |
10 |
0 |
0 |
0.059 |
3 |
|
B |
50 |
14 |
21262 |
◊ |
B |
-x,-x+y,-z |
6_555 |
50 |
14 |
21262 |
523.7 |
-5.1 |
0.337 |
10 |
0 |
0 |
0.059 |
| Average: |
530.5 |
-4.3 |
0.373 |
10 |
0 |
0 |
0.059 |
| 3 |
4 |
|
[FOL]A:601 |
31 |
1 |
691 |
f |
A |
x,y,z |
1_555 |
53 |
16 |
21637 |
398.0 |
-1.2 |
0.280 |
1 |
0 |
0 |
0.030 |
| 4 |
5 |
|
A |
50 |
15 |
21637 |
x |
A |
-y-1,x-y-1,z |
2_445 |
39 |
13 |
21637 |
379.4 |
-1.1 |
0.575 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
42 |
17 |
21637 |
◊ |
A |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
42 |
17 |
21637 |
374.4 |
1.2 |
0.789 |
4 |
8 |
0 |
0.016 |
| 6 |
7 |
|
B |
32 |
10 |
21262 |
◊ |
B |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
32 |
10 |
21262 |
246.8 |
-2.1 |
0.520 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[TOE]B:601 |
11 |
1 |
374 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
21262 |
147.7 |
-2.1 |
0.871 |
0 |
0 |
0 |
0.015 |
| 8 |
9 |
|
[TOE]A:605 |
11 |
1 |
375 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
21637 |
145.2 |
-1.9 |
0.854 |
0 |
0 |
0 |
0.033 |
| 9 |
10 |
|
[TOE]A:606 |
9 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
21637 |
124.1 |
-1.6 |
0.838 |
0 |
0 |
0 |
0.028 |
| 10 |
11 |
|
[EDO]A:604 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21637 |
103.9 |
3.4 |
0.546 |
3 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]A:602 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
21637 |
93.0 |
2.8 |
0.494 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]A:603 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
21637 |
89.3 |
1.7 |
0.251 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[SO4]B:603 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
21262 |
85.3 |
-12.3 |
0.890 |
4 |
0 |
0 |
0.103 |
| 14 |
15 |
|
[SO4]A:610 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21637 |
85.0 |
-11.7 |
0.889 |
4 |
0 |
0 |
0.242 |
| 15 |
16 |
|
[SO4]B:602 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21262 |
83.7 |
-12.4 |
0.863 |
5 |
0 |
0 |
0.107 |
| 16 |
17 |
|
[SO4]A:608 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21637 |
83.1 |
-10.1 |
0.893 |
2 |
0 |
0 |
0.197 |
| 17 |
18 |
|
[SO4]A:607 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21637 |
79.5 |
-11.5 |
0.844 |
5 |
0 |
0 |
0.245 |
| 18 |
19 |
|
[SO4]A:609 |
5 |
1 |
187 |
f |
A |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
12 |
5 |
21637 |
73.0 |
-9.8 |
0.686 |
1 |
0 |
0 |
0.184 |
| 19 |
20 |
|
[SO4]A:609 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
21637 |
56.6 |
-6.4 |
0.948 |
4 |
0 |
0 |
0.146 |
| 20 |
21 |
|
A |
4 |
2 |
21637 |
◊ |
[FOL]A:601 |
-y-1,x-y-1,z |
2_445 |
6 |
1 |
691 |
49.0 |
0.9 |
0.609 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[TOE]B:601 |
5 |
1 |
374 |
◊ |
B |
-x,-x+y,-z |
6_555 |
6 |
2 |
21262 |
44.1 |
-1.0 |
0.621 |
0 |
0 |
0 |
0.007 |
| 22 |
23 |
|
B |
5 |
5 |
21262 |
x |
B |
-y-1,x-y-1,z |
2_445 |
9 |
5 |
21262 |
42.8 |
0.7 |
0.799 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[TOE]A:605 |
5 |
1 |
375 |
◊ |
A |
-x,-x+y,-z |
6_555 |
6 |
2 |
21637 |
42.0 |
-1.0 |
0.590 |
0 |
0 |
0 |
0.007 |
| 24 |
25 |
|
[EDO]A:603 |
3 |
1 |
185 |
◊ |
A |
-x,-x+y,-z |
6_555 |
3 |
1 |
21637 |
38.1 |
1.4 |
0.927 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]A:603 |
3 |
1 |
185 |
f |
[EDO]A:602 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.7 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[SO4]B:602 |
2 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21637 |
24.5 |
-2.8 |
0.853 |
0 |
0 |
0 |
0.021 |
| 27 |
28 |
|
B |
2 |
2 |
21262 |
◊ |
A |
-x,-x+y,-z |
6_555 |
2 |
2 |
21637 |
22.1 |
-0.7 |
0.160 |
0 |
0 |
0 |
0.005 |
| 28 |
29 |
|
[SO4]A:607 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
21262 |
20.2 |
-2.2 |
0.855 |
0 |
0 |
0 |
0.016 |
| 29 |
30 |
|
B |
2 |
2 |
21262 |
◊ |
B |
y+1/3,x-1/3,-z-1/3 |
16_544 |
2 |
2 |
21262 |
13.7 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
B |
2 |
1 |
21262 |
◊ |
A |
-y-1,x-y-1,z |
2_445 |
2 |
2 |
21637 |
7.8 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[TOE]A:605 |
2 |
1 |
375 |
f |
[EDO]A:603 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.6 |
-0.0 |
0.966 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[TOE]B:601 |
1 |
1 |
374 |
◊ |
[TOE]A:605 |
-x,-x+y,-z |
6_555 |
1 |
1 |
375 |
0.1 |
-0.0 |
0.818 |
0 |
0 |
0 |
0.000 |
|