| ## |
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 |
79 |
23 |
6914 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
78 |
23 |
6914 |
828.9 |
-5.0 |
0.315 |
15 |
4 |
0 |
0.129 |
2 |
|
A |
72 |
21 |
6104 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
72 |
21 |
6104 |
760.2 |
-6.5 |
0.355 |
11 |
4 |
0 |
0.129 |
| Average: |
794.6 |
-5.7 |
0.335 |
13 |
4 |
0 |
0.129 |
| 2 |
3 |
|
B |
64 |
22 |
6914 |
◊ |
A |
x,y,z |
1_555 |
65 |
20 |
6104 |
640.0 |
-10.8 |
0.062 |
4 |
2 |
0 |
0.000 |
| 3 |
4 |
|
A |
56 |
18 |
6104 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
64 |
14 |
6914 |
501.9 |
1.2 |
0.732 |
6 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
43 |
15 |
6914 |
x |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
44 |
12 |
6914 |
393.1 |
0.8 |
0.605 |
7 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
32 |
11 |
6914 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
33 |
11 |
6104 |
283.2 |
-5.1 |
0.150 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
25 |
8 |
6104 |
◊ |
B |
-x+1,-y+1,z-1 |
2_664 |
26 |
9 |
6914 |
203.7 |
-2.2 |
0.389 |
0 |
0 |
0 |
0.016 |
| 7 |
8 |
|
A |
16 |
8 |
6104 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
8 |
6914 |
148.5 |
-3.7 |
0.081 |
0 |
0 |
0 |
0.027 |
| 8 |
9 |
|
[K]A:301 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6104 |
109.2 |
-77.3 |
0.000 |
0 |
0 |
0 |
0.920 |
| 9 |
10 |
|
[NO3]A:402 |
4 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6104 |
83.3 |
1.5 |
0.619 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[NO3]B:403 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
6914 |
82.9 |
1.6 |
0.599 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
A |
11 |
2 |
6104 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
6104 |
78.6 |
0.1 |
0.621 |
2 |
2 |
0 |
0.000 |
| 12 |
13 |
|
[K]B:300 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
6914 |
75.1 |
-40.8 |
0.000 |
0 |
0 |
0 |
0.855 |
| 13 |
14 |
|
[NO3]B:400 |
4 |
1 |
167 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
11 |
5 |
6104 |
65.0 |
0.8 |
0.452 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[NO3]B:401 |
4 |
1 |
169 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
6914 |
64.3 |
0.8 |
0.418 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
B |
13 |
4 |
6914 |
◊ |
[K]B:300 |
-x+1/2,y-1/2,-z+2 |
3_547 |
1 |
1 |
216 |
64.0 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
A |
13 |
4 |
6104 |
◊ |
[K]B:300 |
-x+1/2,y-1/2,-z+2 |
3_547 |
1 |
1 |
216 |
59.6 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
61.8 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[NO3]B:400 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
6914 |
60.6 |
0.2 |
0.357 |
2 |
0 |
0 |
0.014 |
| 17 |
19 |
|
[NO3]B:401 |
4 |
1 |
169 |
f |
A |
-x+1,-y+1,z |
2_665 |
12 |
3 |
6104 |
59.9 |
0.2 |
0.390 |
2 |
0 |
0 |
0.008 |
| 18 |
20 |
|
[K]A:301 |
1 |
1 |
216 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
8 |
4 |
6914 |
51.0 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[NO3]B:403 |
3 |
1 |
168 |
f |
A |
-x+1,-y+1,z |
2_665 |
3 |
1 |
6104 |
28.7 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.001 |
| 20 |
22 |
|
[NO3]A:402 |
2 |
1 |
168 |
f |
B |
-x+1,-y+1,z |
2_665 |
3 |
1 |
6914 |
26.4 |
-0.1 |
0.499 |
0 |
0 |
0 |
0.002 |
| 21 |
23 |
|
[NO3]B:401 |
2 |
1 |
169 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
2 |
2 |
6914 |
8.8 |
0.4 |
0.915 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
B |
1 |
1 |
6914 |
◊ |
[NO3]B:403 |
-x+1/2,y-1/2,-z+2 |
3_547 |
1 |
1 |
168 |
6.4 |
0.2 |
0.894 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[NO3]B:400 |
1 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6104 |
4.7 |
0.1 |
0.881 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
B |
1 |
1 |
6914 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
6104 |
2.4 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
|