| ## |
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 |
153 |
40 |
8425 |
◊ |
A |
x,y,z |
1_555 |
156 |
41 |
8528 |
1310.5 |
-16.3 |
0.298 |
20 |
5 |
0 |
0.000 |
| 2 |
2 |
|
A |
48 |
10 |
8528 |
x |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
52 |
16 |
8528 |
426.5 |
-5.3 |
0.387 |
4 |
2 |
0 |
0.000 |
3 |
|
B |
53 |
19 |
8425 |
x |
B |
-y,x-y+1,z+1/3 |
2_565 |
43 |
10 |
8425 |
363.4 |
-5.6 |
0.354 |
4 |
0 |
0 |
0.000 |
| Average: |
395.0 |
-5.4 |
0.371 |
4 |
1 |
0 |
0.000 |
| 3 |
4 |
|
B |
25 |
7 |
8425 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
23 |
10 |
8528 |
235.5 |
-2.5 |
0.366 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
22 |
10 |
8425 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
25 |
8 |
8528 |
233.7 |
-2.3 |
0.329 |
1 |
0 |
0 |
0.000 |
| Average: |
234.6 |
-2.4 |
0.347 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[OM3]A:1217 |
17 |
1 |
601 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
8425 |
215.2 |
-3.3 |
0.427 |
0 |
0 |
0 |
0.000 |
7 |
|
[OM3]B:1214 |
16 |
1 |
594 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
8528 |
213.2 |
-3.7 |
0.413 |
0 |
0 |
0 |
0.000 |
| Average: |
214.2 |
-3.5 |
0.420 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[OM3]A:1217 |
23 |
1 |
601 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
8528 |
204.8 |
-1.8 |
0.527 |
7 |
0 |
0 |
0.011 |
9 |
|
[OM3]B:1214 |
22 |
1 |
594 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
8425 |
202.6 |
-2.7 |
0.503 |
7 |
0 |
0 |
0.011 |
| Average: |
203.7 |
-2.2 |
0.515 |
7 |
0 |
0 |
0.011 |
| 6 |
10 |
|
A |
10 |
3 |
8528 |
◊ |
B |
-y+1,x-y+1,z-2/3 |
2_664 |
13 |
4 |
8425 |
105.5 |
-1.4 |
0.394 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
13 |
4 |
8528 |
◊ |
B |
-y,x-y+1,z-2/3 |
2_564 |
10 |
3 |
8425 |
100.1 |
-1.4 |
0.407 |
0 |
0 |
0 |
0.000 |
| Average: |
102.8 |
-1.4 |
0.401 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]A:1211 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8528 |
102.0 |
-14.4 |
0.805 |
2 |
0 |
0 |
0.031 |
| 8 |
13 |
|
[SO4]B:1211 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8425 |
100.0 |
-14.0 |
0.849 |
3 |
0 |
0 |
0.030 |
| 9 |
14 |
|
[ACT]B:1213 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8425 |
94.2 |
-0.8 |
0.644 |
0 |
0 |
0 |
0.002 |
| 10 |
15 |
|
[ACT]A:1213 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
8528 |
93.1 |
-0.4 |
0.730 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[SO4]B:1212 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8425 |
83.4 |
-12.6 |
0.830 |
5 |
0 |
0 |
0.029 |
| 12 |
17 |
|
[SO4]A:1212 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8528 |
81.5 |
-12.3 |
0.827 |
5 |
0 |
0 |
0.030 |
| 13 |
18 |
|
[ACT]A:1215 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8528 |
79.7 |
-0.8 |
0.641 |
0 |
0 |
0 |
0.002 |
| 14 |
19 |
|
[SO4]A:1210 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8528 |
79.2 |
-11.2 |
0.885 |
4 |
0 |
0 |
0.027 |
| 15 |
20 |
|
[SO4]B:1210 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8425 |
79.0 |
-11.2 |
0.835 |
4 |
0 |
0 |
0.026 |
| 16 |
21 |
|
[ACT]A:1215 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8425 |
68.8 |
-0.6 |
0.643 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[ACT]A:1214 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
8425 |
67.5 |
0.5 |
0.834 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[ACT]A:1216 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8528 |
67.1 |
0.6 |
0.823 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[ACT]A:1216 |
3 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8425 |
55.8 |
-0.0 |
0.769 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[ACT]A:1214 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8528 |
53.8 |
0.1 |
0.767 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[SO4]B:1210 |
5 |
1 |
184 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
5 |
2 |
8425 |
51.2 |
-6.9 |
0.734 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[ACT]A:1216 |
3 |
1 |
181 |
f |
[ACT]A:1214 |
x,y,z |
1_555 |
3 |
1 |
182 |
45.6 |
-0.9 |
0.594 |
0 |
0 |
0 |
0.002 |
| 23 |
28 |
|
A |
4 |
2 |
8528 |
◊ |
[SO4]A:1210 |
-y+1,x-y+1,z+1/3 |
2_665 |
4 |
1 |
184 |
33.4 |
-4.4 |
0.577 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[ACT]A:1213 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8425 |
32.6 |
0.4 |
0.792 |
1 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[ACT]B:1213 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8528 |
27.8 |
0.6 |
0.855 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
B |
1 |
1 |
8425 |
◊ |
[OM3]A:1217 |
-y,x-y+1,z+1/3 |
2_565 |
4 |
1 |
601 |
22.6 |
-0.8 |
0.221 |
0 |
0 |
0 |
0.000 |
32 |
|
[OM3]B:1214 |
4 |
1 |
594 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
8528 |
21.0 |
-0.6 |
0.250 |
0 |
0 |
0 |
0.000 |
| Average: |
21.8 |
-0.7 |
0.235 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[ACT]B:1213 |
2 |
1 |
183 |
◊ |
[ACT]A:1213 |
x,y,z |
1_555 |
1 |
1 |
182 |
16.9 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
B |
1 |
1 |
8425 |
◊ |
[SO4]A:1212 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
185 |
3.3 |
-0.5 |
0.649 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[SO4]B:1212 |
1 |
1 |
186 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
2 |
2 |
8528 |
3.1 |
-0.4 |
0.767 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[ACT]A:1214 |
1 |
1 |
182 |
◊ |
[ACT]A:1213 |
x,y,z |
1_555 |
1 |
1 |
182 |
1.9 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
|