| ## |
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 |
148 |
39 |
8442 |
◊ |
A |
x,y,z |
1_555 |
149 |
40 |
8492 |
1314.0 |
-17.4 |
0.251 |
20 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
51 |
16 |
8492 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
45 |
11 |
8492 |
421.0 |
-4.7 |
0.438 |
3 |
2 |
0 |
0.000 |
3 |
|
B |
41 |
10 |
8442 |
x |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
50 |
17 |
8442 |
349.8 |
-5.8 |
0.325 |
4 |
0 |
0 |
0.000 |
| Average: |
385.4 |
-5.2 |
0.382 |
4 |
1 |
0 |
0.000 |
| 3 |
4 |
|
A |
28 |
8 |
8492 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
25 |
9 |
8442 |
251.2 |
-3.1 |
0.348 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
22 |
10 |
8492 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
29 |
8 |
8442 |
243.5 |
-2.3 |
0.451 |
2 |
0 |
0 |
0.000 |
| Average: |
247.4 |
-2.7 |
0.400 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[7NV]B:1216 |
23 |
1 |
607 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
8442 |
211.7 |
0.1 |
0.168 |
6 |
0 |
0 |
0.004 |
7 |
|
[7NV]A:1216 |
23 |
1 |
609 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
8492 |
210.3 |
0.4 |
0.182 |
5 |
0 |
0 |
0.004 |
| Average: |
211.0 |
0.2 |
0.175 |
6 |
0 |
0 |
0.004 |
| 5 |
8 |
|
[7NV]B:1216 |
15 |
1 |
607 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
8492 |
188.2 |
2.9 |
0.507 |
0 |
0 |
0 |
0.000 |
9 |
|
[7NV]A:1216 |
15 |
1 |
609 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
8442 |
185.2 |
3.0 |
0.520 |
0 |
0 |
0 |
0.000 |
| Average: |
186.7 |
3.0 |
0.513 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
10 |
3 |
8442 |
◊ |
A |
-y-1,x-y-1,z-2/3 |
2_444 |
14 |
3 |
8492 |
104.4 |
-1.8 |
0.331 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
12 |
4 |
8442 |
◊ |
A |
-y,x-y-1,z-2/3 |
2_544 |
10 |
3 |
8492 |
102.6 |
-1.8 |
0.332 |
0 |
0 |
0 |
0.000 |
| Average: |
103.5 |
-1.8 |
0.331 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]B:1211 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8442 |
98.9 |
-13.8 |
0.831 |
3 |
0 |
0 |
0.022 |
| 8 |
13 |
|
[SO4]A:1211 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8492 |
98.8 |
-13.7 |
0.825 |
3 |
0 |
0 |
0.022 |
| 9 |
14 |
|
[SO4]A:1213 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
8492 |
94.5 |
-15.1 |
0.735 |
1 |
0 |
0 |
0.023 |
| 10 |
15 |
|
[SO4]B:1213 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8442 |
94.2 |
-15.2 |
0.752 |
1 |
0 |
0 |
0.023 |
| 11 |
16 |
|
[SO4]B:1212 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8442 |
83.4 |
-12.6 |
0.839 |
5 |
0 |
0 |
0.021 |
| 12 |
17 |
|
[SO4]A:1212 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8492 |
82.5 |
-12.5 |
0.814 |
4 |
0 |
0 |
0.021 |
| 13 |
18 |
|
[SO4]B:1210 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8442 |
79.0 |
-11.1 |
0.894 |
4 |
0 |
0 |
0.019 |
| 14 |
19 |
|
[SO4]A:1210 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8492 |
77.8 |
-11.1 |
0.891 |
5 |
0 |
0 |
0.019 |
| 15 |
20 |
|
[ACT]B:1214 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8492 |
64.5 |
0.6 |
0.808 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[ACT]A:1214 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8442 |
64.3 |
0.6 |
0.823 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[CL]A:1215 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8492 |
57.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
|
[CL]B:1215 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8442 |
56.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
57.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 18 |
24 |
|
[ACT]B:1214 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8442 |
57.3 |
0.0 |
0.758 |
1 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[ACT]A:1214 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8492 |
57.1 |
0.0 |
0.757 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
B |
5 |
2 |
8442 |
◊ |
[SO4]B:1210 |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
1 |
184 |
51.0 |
-6.5 |
0.818 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[CL]B:1215 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8492 |
47.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[CL]A:1215 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8442 |
46.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
47.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[ACT]B:1214 |
3 |
1 |
182 |
◊ |
[ACT]A:1214 |
x,y,z |
1_555 |
3 |
1 |
183 |
42.7 |
-0.6 |
0.688 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[SO4]A:1213 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8442 |
31.7 |
-3.3 |
0.958 |
2 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[SO4]A:1210 |
3 |
1 |
184 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
4 |
2 |
8492 |
31.4 |
-4.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[SO4]B:1213 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8492 |
31.0 |
-3.2 |
0.956 |
1 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[SO4]B:1213 |
3 |
1 |
187 |
◊ |
[SO4]A:1213 |
x,y,z |
1_555 |
3 |
1 |
186 |
12.1 |
-2.9 |
0.992 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[ACT]B:1214 |
1 |
1 |
182 |
f |
[SO4]B:1213 |
x,y,z |
1_555 |
1 |
1 |
187 |
7.0 |
-1.0 |
0.632 |
0 |
0 |
0 |
0.001 |
| 28 |
35 |
|
A |
1 |
1 |
8492 |
◊ |
[SO4]B:1212 |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
184 |
6.4 |
-0.9 |
0.507 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[ACT]A:1214 |
1 |
1 |
183 |
f |
[SO4]A:1213 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.4 |
-0.8 |
0.632 |
0 |
0 |
0 |
0.001 |
| 30 |
37 |
|
[SO4]A:1212 |
1 |
1 |
185 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
8442 |
6.3 |
-0.9 |
0.504 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
B |
1 |
1 |
8442 |
◊ |
[7NV]A:1216 |
-y-1,x-y-1,z-2/3 |
2_444 |
1 |
1 |
609 |
5.3 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
39 |
|
[7NV]B:1216 |
1 |
1 |
607 |
◊ |
A |
-y,x-y-1,z-2/3 |
2_544 |
1 |
1 |
8492 |
2.8 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
| Average: |
4.0 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[7NV]B:1216 |
1 |
1 |
607 |
◊ |
[SO4]A:1212 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.8 |
-0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
|