| ## |
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 |
145 |
38 |
8508 |
◊ |
A |
x,y,z |
1_555 |
148 |
39 |
8523 |
1317.6 |
-15.4 |
0.273 |
20 |
2 |
0 |
0.188 |
| 2 |
2 |
|
A |
52 |
16 |
8523 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
46 |
11 |
8523 |
424.1 |
-5.3 |
0.357 |
3 |
1 |
0 |
0.000 |
3 |
|
B |
44 |
12 |
8508 |
x |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
52 |
18 |
8508 |
387.0 |
-5.6 |
0.350 |
4 |
0 |
0 |
0.000 |
| Average: |
405.6 |
-5.4 |
0.353 |
4 |
1 |
0 |
0.000 |
| 3 |
4 |
|
[O5U]B:1215 |
29 |
1 |
751 |
◊ |
A |
x,y,z |
1_555 |
47 |
12 |
8523 |
282.5 |
1.8 |
0.626 |
0 |
0 |
0 |
0.000 |
5 |
|
[O5U]A:1213 |
29 |
1 |
743 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
8508 |
282.4 |
1.4 |
0.612 |
0 |
0 |
0 |
0.000 |
| Average: |
282.5 |
1.6 |
0.619 |
0 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
25 |
8 |
8523 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
23 |
9 |
8508 |
238.6 |
-3.0 |
0.307 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
21 |
9 |
8523 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
25 |
8 |
8508 |
237.6 |
-3.4 |
0.249 |
1 |
0 |
0 |
0.000 |
| Average: |
238.1 |
-3.2 |
0.278 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[O5U]B:1215 |
27 |
1 |
751 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
8508 |
231.5 |
-2.1 |
0.523 |
6 |
0 |
0 |
0.062 |
9 |
|
[O5U]A:1213 |
26 |
1 |
743 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
8523 |
227.5 |
-1.2 |
0.575 |
5 |
0 |
0 |
0.062 |
| Average: |
229.5 |
-1.6 |
0.549 |
6 |
0 |
0 |
0.062 |
| 6 |
10 |
|
B |
13 |
4 |
8508 |
◊ |
A |
-y,x-y-1,z-2/3 |
2_544 |
10 |
3 |
8523 |
105.6 |
-1.3 |
0.418 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
10 |
3 |
8508 |
◊ |
A |
-y-1,x-y-1,z-2/3 |
2_444 |
13 |
4 |
8523 |
101.8 |
-1.6 |
0.376 |
0 |
0 |
0 |
0.000 |
| Average: |
103.7 |
-1.4 |
0.397 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8508 |
101.7 |
-14.5 |
0.815 |
2 |
0 |
0 |
0.118 |
| 8 |
13 |
|
[SO4]A:1211 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8523 |
101.2 |
-14.3 |
0.811 |
2 |
0 |
0 |
0.117 |
| 9 |
14 |
|
[SO4]B:1212 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8508 |
96.5 |
-15.7 |
0.739 |
1 |
0 |
0 |
0.124 |
| 10 |
15 |
|
[SO4]A:1212 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
8523 |
96.3 |
-15.6 |
0.729 |
1 |
0 |
0 |
0.123 |
| 11 |
16 |
|
[SO4]B:1210 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8508 |
79.6 |
-11.3 |
0.892 |
4 |
0 |
0 |
0.100 |
| 12 |
17 |
|
[SO4]A:1210 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8523 |
78.7 |
-11.1 |
0.882 |
5 |
0 |
0 |
0.102 |
| 13 |
18 |
|
[ACT]B:1214 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
8508 |
66.6 |
0.6 |
0.820 |
0 |
0 |
0 |
0.000 |
19 |
|
[ACT]B:1213 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8523 |
65.3 |
0.6 |
0.820 |
0 |
0 |
0 |
0.000 |
| Average: |
65.9 |
0.6 |
0.820 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[ACT]B:1213 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8508 |
57.5 |
-0.0 |
0.760 |
1 |
0 |
0 |
0.006 |
21 |
|
[ACT]B:1214 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8523 |
55.5 |
0.1 |
0.763 |
1 |
0 |
0 |
0.006 |
| Average: |
56.5 |
0.1 |
0.761 |
1 |
0 |
0 |
0.006 |
| 15 |
22 |
|
B |
5 |
2 |
8508 |
◊ |
[SO4]B:1210 |
-y-1,x-y-1,z+1/3 |
2_445 |
5 |
1 |
183 |
53.5 |
-6.9 |
0.829 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[ACT]B:1214 |
3 |
1 |
182 |
◊ |
[ACT]B:1213 |
x,y,z |
1_555 |
3 |
1 |
184 |
43.1 |
-0.6 |
0.688 |
0 |
0 |
0 |
0.005 |
| 17 |
24 |
|
[SO4]A:1210 |
4 |
1 |
184 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
5 |
2 |
8523 |
35.7 |
-4.6 |
0.649 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[SO4]A:1212 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8508 |
31.6 |
-3.1 |
0.957 |
1 |
0 |
0 |
0.027 |
| 19 |
26 |
|
[SO4]B:1212 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8523 |
30.5 |
-3.0 |
0.955 |
1 |
0 |
0 |
0.026 |
| 20 |
27 |
|
[SO4]B:1212 |
1 |
1 |
187 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
187 |
11.5 |
-2.8 |
0.800 |
0 |
0 |
0 |
0.021 |
| 21 |
28 |
|
[O5U]A:1213 |
4 |
1 |
743 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
8508 |
10.2 |
-0.4 |
0.334 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
1 |
1 |
8523 |
◊ |
[O5U]B:1215 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
751 |
9.3 |
-0.4 |
0.340 |
0 |
0 |
0 |
0.000 |
| Average: |
9.8 |
-0.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[ACT]B:1214 |
1 |
1 |
182 |
f |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.2 |
-0.8 |
0.632 |
0 |
0 |
0 |
0.006 |
| 23 |
31 |
|
[ACT]B:1213 |
1 |
1 |
184 |
f |
[SO4]B:1212 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.2 |
-0.9 |
0.632 |
0 |
0 |
0 |
0.007 |
|