| ## |
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 |
151 |
39 |
8388 |
◊ |
A |
x,y,z |
1_555 |
149 |
38 |
8414 |
1312.1 |
-16.4 |
0.263 |
19 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
53 |
16 |
8414 |
x |
A |
-y+2,x-y+1,z+1/3 |
2_765 |
47 |
11 |
8414 |
398.3 |
-5.2 |
0.423 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
48 |
12 |
8388 |
x |
B |
-y+2,x-y,z+1/3 |
2_755 |
49 |
18 |
8388 |
366.6 |
-5.2 |
0.404 |
4 |
0 |
0 |
0.000 |
| Average: |
382.4 |
-5.2 |
0.414 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
26 |
8 |
8414 |
◊ |
B |
-y+2,x-y,z+1/3 |
2_755 |
21 |
10 |
8388 |
239.5 |
-3.2 |
0.274 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
20 |
10 |
8414 |
◊ |
B |
-y+2,x-y+1,z+1/3 |
2_765 |
23 |
7 |
8388 |
234.9 |
-2.2 |
0.309 |
1 |
0 |
0 |
0.000 |
| Average: |
237.2 |
-2.7 |
0.291 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[K1T]A:1213 |
20 |
1 |
579 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
8414 |
205.7 |
-1.5 |
0.500 |
6 |
0 |
0 |
0.009 |
7 |
|
[K1T]B:1216 |
20 |
1 |
579 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
8388 |
202.7 |
-1.8 |
0.455 |
4 |
0 |
0 |
0.009 |
| Average: |
204.2 |
-1.7 |
0.477 |
5 |
0 |
0 |
0.009 |
| 5 |
8 |
|
[K1T]B:1216 |
19 |
1 |
579 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
8414 |
202.3 |
0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
9 |
|
[K1T]A:1213 |
18 |
1 |
579 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
8388 |
201.9 |
0.2 |
0.511 |
0 |
0 |
0 |
0.000 |
| Average: |
202.1 |
0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
13 |
5 |
8388 |
◊ |
A |
-y+2,x-y+1,z-2/3 |
2_764 |
10 |
4 |
8414 |
110.0 |
-1.3 |
0.428 |
1 |
0 |
0 |
0.000 |
11 |
|
B |
11 |
4 |
8388 |
◊ |
A |
-y+2,x-y,z-2/3 |
2_754 |
13 |
5 |
8414 |
106.8 |
-1.3 |
0.432 |
1 |
0 |
0 |
0.000 |
| Average: |
108.4 |
-1.3 |
0.430 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]B:1210 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8388 |
100.8 |
-12.8 |
0.935 |
5 |
0 |
0 |
0.025 |
| 8 |
13 |
|
[SO4]A:1210 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8414 |
100.1 |
-13.8 |
0.844 |
3 |
0 |
0 |
0.031 |
| 9 |
14 |
|
[ACT]A:1212 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
8414 |
84.4 |
-0.9 |
0.537 |
2 |
0 |
0 |
0.004 |
| 10 |
15 |
|
[SO4]B:1212 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8388 |
82.6 |
-11.8 |
0.744 |
1 |
0 |
0 |
0.021 |
| 11 |
16 |
|
[SO4]B:1209 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8388 |
78.7 |
-11.2 |
0.896 |
5 |
0 |
0 |
0.023 |
| 12 |
17 |
|
[SO4]A:1209 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8414 |
78.6 |
-11.1 |
0.895 |
5 |
0 |
0 |
0.027 |
| 13 |
18 |
|
[SO4]A:1211 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8414 |
78.5 |
-11.5 |
0.844 |
6 |
0 |
0 |
0.029 |
| 14 |
19 |
|
[SO4]B:1211 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8388 |
78.1 |
-11.4 |
0.846 |
5 |
0 |
0 |
0.023 |
| 15 |
20 |
|
[ACT]B:1215 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8388 |
75.3 |
-0.3 |
0.561 |
2 |
0 |
0 |
0.002 |
| 16 |
21 |
|
[SO4]B:1212 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8414 |
66.4 |
-9.5 |
0.813 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[ACT]B:1214 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8388 |
65.1 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[ACT]B:1213 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8414 |
64.9 |
0.6 |
0.818 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[ACT]B:1213 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8388 |
58.2 |
-0.0 |
0.744 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[ACT]B:1214 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8414 |
58.0 |
-0.1 |
0.740 |
1 |
0 |
0 |
0.001 |
| 21 |
26 |
|
B |
5 |
2 |
8388 |
◊ |
[SO4]B:1209 |
-y+2,x-y,z+1/3 |
2_755 |
5 |
1 |
183 |
54.8 |
-6.8 |
0.883 |
1 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[ACT]B:1214 |
3 |
1 |
182 |
f |
[ACT]B:1213 |
x,y,z |
1_555 |
3 |
1 |
183 |
45.7 |
-0.7 |
0.688 |
0 |
0 |
0 |
0.001 |
| 23 |
28 |
|
[SO4]A:1209 |
4 |
1 |
184 |
◊ |
A |
-y+2,x-y+1,z+1/3 |
2_765 |
4 |
2 |
8414 |
34.9 |
-4.3 |
0.691 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
A |
2 |
1 |
8414 |
◊ |
[ACT]B:1215 |
-y+2,x-y,z+1/3 |
2_755 |
2 |
1 |
183 |
32.8 |
0.5 |
0.697 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[ACT]A:1212 |
3 |
1 |
182 |
◊ |
B |
-y+2,x-y+1,z+1/3 |
2_765 |
1 |
1 |
8388 |
26.4 |
0.9 |
0.824 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[K1T]A:1213 |
2 |
1 |
579 |
◊ |
B |
-y+2,x-y,z+1/3 |
2_755 |
1 |
1 |
8388 |
10.6 |
0.2 |
0.393 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
A |
1 |
1 |
8414 |
◊ |
[SO4]B:1211 |
-y+2,x-y,z+1/3 |
2_755 |
1 |
1 |
184 |
6.3 |
-0.9 |
0.511 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[SO4]A:1211 |
1 |
1 |
184 |
◊ |
B |
-y+2,x-y+1,z+1/3 |
2_765 |
1 |
1 |
8388 |
4.3 |
-0.6 |
0.555 |
0 |
0 |
0 |
0.000 |
|