| ## |
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 |
152 |
41 |
8446 |
◊ |
A |
x,y,z |
1_555 |
145 |
37 |
8471 |
1252.4 |
-14.7 |
0.317 |
20 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
50 |
10 |
8471 |
x |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
51 |
16 |
8471 |
434.8 |
-5.5 |
0.375 |
4 |
1 |
0 |
0.000 |
3 |
|
B |
49 |
18 |
8446 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
52 |
11 |
8446 |
417.8 |
-5.8 |
0.340 |
3 |
0 |
0 |
0.000 |
| Average: |
426.3 |
-5.6 |
0.358 |
4 |
1 |
0 |
0.000 |
| 3 |
4 |
|
B |
21 |
9 |
8446 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
23 |
7 |
8471 |
236.5 |
-3.0 |
0.279 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
23 |
7 |
8446 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
22 |
10 |
8471 |
235.4 |
-3.0 |
0.302 |
1 |
0 |
0 |
0.000 |
| Average: |
236.0 |
-3.0 |
0.291 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[L0Y]B:1217 |
18 |
1 |
625 |
◊ |
A |
x,y,z |
1_555 |
43 |
10 |
8471 |
233.1 |
-1.7 |
0.463 |
0 |
0 |
0 |
0.000 |
7 |
|
[L0Y]A:1217 |
18 |
1 |
625 |
◊ |
B |
x,y,z |
1_555 |
42 |
10 |
8446 |
229.1 |
-1.7 |
0.454 |
0 |
0 |
0 |
0.000 |
| Average: |
231.1 |
-1.7 |
0.458 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[L0Y]B:1217 |
24 |
1 |
625 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
8446 |
210.4 |
-1.2 |
0.450 |
6 |
0 |
0 |
0.007 |
9 |
|
[L0Y]A:1217 |
24 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
8471 |
210.2 |
-1.2 |
0.451 |
6 |
0 |
0 |
0.007 |
| Average: |
210.3 |
-1.2 |
0.450 |
6 |
0 |
0 |
0.007 |
| 6 |
10 |
|
A |
11 |
3 |
8471 |
◊ |
B |
-y-1,x-y-1,z-2/3 |
2_444 |
13 |
4 |
8446 |
105.8 |
-1.1 |
0.443 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
12 |
4 |
8471 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
11 |
3 |
8446 |
104.1 |
-1.2 |
0.412 |
0 |
0 |
0 |
0.000 |
| Average: |
104.9 |
-1.2 |
0.428 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]A:1211 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8471 |
103.7 |
-14.6 |
0.815 |
2 |
0 |
0 |
0.022 |
| 8 |
13 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8446 |
103.2 |
-14.6 |
0.809 |
2 |
0 |
0 |
0.026 |
| 9 |
14 |
|
[SO4]B:1213 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
8446 |
87.4 |
-12.3 |
0.870 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[SO4]A:1213 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
8471 |
86.7 |
-12.3 |
0.869 |
1 |
0 |
0 |
0.018 |
| 11 |
16 |
|
[SO4]B:1212 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8446 |
85.1 |
-12.8 |
0.833 |
5 |
0 |
0 |
0.026 |
| 12 |
17 |
|
[SO4]A:1212 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8471 |
81.6 |
-12.4 |
0.820 |
5 |
0 |
0 |
0.021 |
| 13 |
18 |
|
[SO4]A:1210 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8471 |
80.4 |
-11.4 |
0.889 |
4 |
0 |
0 |
0.019 |
| 14 |
19 |
|
[SO4]B:1210 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8446 |
79.2 |
-11.3 |
0.890 |
4 |
0 |
0 |
0.022 |
| 15 |
20 |
|
[ACT]A:1214 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8471 |
73.4 |
-0.9 |
0.598 |
0 |
0 |
0 |
0.001 |
| 16 |
21 |
|
[ACT]B:1214 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
8446 |
72.6 |
-1.0 |
0.589 |
0 |
0 |
0 |
0.002 |
| 17 |
22 |
|
[ACT]B:1215 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
8471 |
63.2 |
-0.5 |
0.689 |
0 |
0 |
0 |
0.000 |
23 |
|
[ACT]A:1215 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
8446 |
61.5 |
-0.5 |
0.696 |
0 |
0 |
0 |
0.000 |
| Average: |
62.4 |
-0.5 |
0.693 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[ACT]B:1215 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8446 |
62.2 |
-0.9 |
0.550 |
0 |
0 |
0 |
0.001 |
25 |
|
[ACT]A:1215 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8471 |
62.1 |
-0.9 |
0.555 |
0 |
0 |
0 |
0.001 |
| Average: |
62.1 |
-0.9 |
0.553 |
0 |
0 |
0 |
0.001 |
| 19 |
26 |
|
[CL]B:1216 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8446 |
59.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.015 |
27 |
|
[CL]A:1216 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8471 |
59.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
59.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 20 |
28 |
|
[ACT]B:1214 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8471 |
51.3 |
0.4 |
0.790 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[ACT]A:1214 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8446 |
50.8 |
0.4 |
0.793 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[SO4]B:1210 |
5 |
1 |
185 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
5 |
2 |
8446 |
49.0 |
-6.7 |
0.728 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[SO4]B:1213 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8471 |
44.3 |
-4.8 |
0.930 |
2 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[SO4]A:1213 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8446 |
44.2 |
-4.8 |
0.935 |
2 |
0 |
0 |
0.000 |
| 25 |
33 |
|
A |
4 |
2 |
8471 |
◊ |
[SO4]A:1210 |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
1 |
186 |
32.6 |
-4.5 |
0.613 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[ACT]A:1215 |
3 |
1 |
181 |
f |
[ACT]A:1214 |
x,y,z |
1_555 |
4 |
1 |
182 |
31.0 |
-0.6 |
0.695 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[ACT]B:1215 |
3 |
1 |
182 |
f |
[ACT]B:1214 |
x,y,z |
1_555 |
4 |
1 |
182 |
30.7 |
-0.5 |
0.695 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[SO4]B:1213 |
4 |
1 |
186 |
◊ |
[SO4]A:1213 |
x,y,z |
1_555 |
4 |
1 |
185 |
28.6 |
-6.3 |
0.998 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[CL]B:1216 |
1 |
1 |
125 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
8471 |
23.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
2 |
1 |
8446 |
◊ |
[CL]A:1216 |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
125 |
22.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[L0Y]B:1217 |
3 |
1 |
625 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
8471 |
19.0 |
-0.7 |
0.227 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
1 |
1 |
8446 |
◊ |
[L0Y]A:1217 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
625 |
18.8 |
-0.6 |
0.229 |
0 |
0 |
0 |
0.000 |
| Average: |
18.9 |
-0.6 |
0.228 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
B |
2 |
1 |
8446 |
◊ |
[SO4]A:1212 |
-y-1,x-y-1,z+1/3 |
2_445 |
3 |
1 |
186 |
10.3 |
-1.3 |
0.615 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[SO4]B:1212 |
1 |
1 |
186 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
8471 |
5.9 |
-0.8 |
0.517 |
0 |
0 |
0 |
0.000 |
|