| ## |
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 |
|
A |
44 |
16 |
6475 |
x |
A |
x,y-1,z |
1_545 |
39 |
11 |
6475 |
358.8 |
0.3 |
0.447 |
3 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
37 |
12 |
6475 |
x |
A |
x,y,z-1 |
1_554 |
38 |
14 |
6475 |
318.8 |
0.1 |
0.470 |
1 |
1 |
0 |
0.000 |
| 3 |
3 |
|
A |
43 |
16 |
6475 |
x |
A |
x-1,y,z |
1_455 |
29 |
9 |
6475 |
301.9 |
1.3 |
0.602 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
25 |
10 |
6475 |
x |
A |
x-1,y+1,z |
1_465 |
29 |
7 |
6475 |
221.1 |
-1.5 |
0.277 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
12 |
4 |
6475 |
x |
A |
x-1,y,z+1 |
1_456 |
17 |
6 |
6475 |
143.5 |
1.2 |
0.695 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[DMS]A:211 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
6475 |
125.7 |
2.9 |
0.458 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
10 |
4 |
6475 |
x |
A |
x,y-1,z+1 |
1_546 |
14 |
5 |
6475 |
112.6 |
-0.9 |
0.363 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NO3]A:212 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
6475 |
90.0 |
1.1 |
0.476 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[ACT]A:214 |
4 |
1 |
182 |
f |
A |
x,y,z-1 |
1_554 |
14 |
6 |
6475 |
75.0 |
-0.4 |
0.581 |
1 |
0 |
0 |
0.001 |
| 10 |
10 |
|
[NO3]A:205 |
4 |
1 |
163 |
f |
A |
x-1,y,z |
1_455 |
14 |
3 |
6475 |
74.9 |
0.7 |
0.376 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NO3]A:204 |
4 |
1 |
164 |
◊ |
A |
x-1,y+1,z |
1_465 |
10 |
5 |
6475 |
74.7 |
1.2 |
0.562 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[NO3]A:201 |
4 |
1 |
162 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
6475 |
69.7 |
1.1 |
0.433 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[NO3]A:203 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
6475 |
69.0 |
0.8 |
0.379 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[NO3]A:213 |
4 |
1 |
165 |
f |
A |
x-1,y,z |
1_455 |
10 |
3 |
6475 |
68.9 |
0.9 |
0.421 |
2 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[NA]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
6475 |
62.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 16 |
16 |
|
[NA]A:210 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
6475 |
62.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 17 |
17 |
|
[PT]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6475 |
58.5 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| 18 |
18 |
|
[NO3]A:202 |
4 |
1 |
165 |
◊ |
A |
x-1,y,z+1 |
1_456 |
6 |
3 |
6475 |
54.8 |
1.0 |
0.485 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[NO3]A:201 |
4 |
1 |
162 |
f |
A |
x-1,y+1,z |
1_465 |
7 |
3 |
6475 |
53.5 |
1.0 |
0.470 |
2 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[ACT]A:214 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6475 |
53.0 |
-0.2 |
0.710 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
A |
8 |
2 |
6475 |
◊ |
[NO3]A:203 |
x,y-1,z |
1_545 |
4 |
1 |
162 |
49.5 |
0.6 |
0.707 |
1 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[NO3]A:204 |
4 |
1 |
164 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
6475 |
49.4 |
0.8 |
0.802 |
1 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[PT]A:209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6475 |
47.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.028 |
24 |
|
[PT]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
6475 |
43.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
45.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.028 |
| 24 |
25 |
|
[NO3]A:202 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
6475 |
45.4 |
0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[NO3]A:213 |
3 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
6475 |
39.8 |
1.4 |
0.952 |
1 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[PT]A:209 |
1 |
1 |
125 |
f |
[PT]A:208 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.0 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.016 |
| 27 |
28 |
|
[NO3]A:202 |
3 |
1 |
165 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
6475 |
34.0 |
1.2 |
0.945 |
2 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[NO3]A:212 |
3 |
1 |
162 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
6475 |
30.4 |
0.7 |
0.908 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[NO3]A:213 |
4 |
1 |
165 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
1 |
6475 |
26.6 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[PT]A:209 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z+1 |
1_456 |
4 |
3 |
6475 |
26.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[PT]A:207 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
6475 |
22.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[NO3]A:202 |
3 |
1 |
165 |
◊ |
[ACT]A:214 |
x-1,y,z+1 |
1_456 |
3 |
1 |
182 |
19.7 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[PT]A:208 |
1 |
1 |
125 |
f |
[PT]A:207 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 34 |
35 |
|
[PT]A:208 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
6475 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[PT]A:209 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
6475 |
6.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
8.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[NO3]A:205 |
3 |
1 |
163 |
f |
[ACT]A:214 |
x-1,y,z+1 |
1_456 |
2 |
1 |
182 |
8.4 |
0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[NO3]A:203 |
1 |
1 |
162 |
◊ |
A |
x-1,y+1,z |
1_465 |
3 |
1 |
6475 |
7.7 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[PT]A:208 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z+1 |
1_456 |
3 |
3 |
6475 |
6.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[NO3]A:204 |
1 |
1 |
164 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
6475 |
4.9 |
0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[PT]A:209 |
1 |
1 |
125 |
f |
[NO3]A:202 |
x,y,z |
1_555 |
1 |
1 |
165 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|