| ## |
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 |
117 |
31 |
5331 |
◊ |
A |
x,y,z |
1_555 |
114 |
30 |
5716 |
1197.8 |
-14.4 |
0.302 |
15 |
5 |
0 |
0.581 |
| 2 |
2 |
|
D |
96 |
19 |
4317 |
◊ |
C |
x,y,z |
1_555 |
97 |
19 |
4320 |
891.1 |
-7.7 |
0.988 |
37 |
0 |
0 |
0.970 |
| 3 |
3 |
|
B |
67 |
18 |
5331 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
75 |
19 |
5716 |
736.1 |
-9.0 |
0.301 |
3 |
1 |
0 |
0.345 |
| 4 |
4 |
|
C |
47 |
8 |
4320 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
5716 |
408.1 |
-8.5 |
0.659 |
6 |
0 |
0 |
0.553 |
5 |
|
D |
46 |
8 |
4317 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
5331 |
377.2 |
-7.9 |
0.598 |
2 |
0 |
0 |
0.553 |
| Average: |
392.7 |
-8.2 |
0.629 |
4 |
0 |
0 |
0.553 |
| 5 |
6 |
|
D |
37 |
8 |
4317 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
5716 |
321.8 |
-8.0 |
0.547 |
4 |
0 |
0 |
0.192 |
7 |
|
C |
40 |
8 |
4320 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
5331 |
321.2 |
-7.6 |
0.555 |
5 |
0 |
0 |
0.192 |
| Average: |
321.5 |
-7.8 |
0.551 |
5 |
0 |
0 |
0.192 |
| 6 |
8 |
|
[NO3]A:103 |
4 |
1 |
162 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
5716 |
85.9 |
1.0 |
0.585 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
C |
12 |
1 |
4320 |
◊ |
D |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
12 |
1 |
4317 |
81.9 |
3.5 |
0.957 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
D |
14 |
1 |
4317 |
x |
D |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
12 |
1 |
4317 |
80.7 |
1.1 |
0.889 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
10 |
1 |
4320 |
x |
C |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
12 |
1 |
4320 |
76.2 |
1.1 |
0.872 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
C |
10 |
2 |
4320 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
7 |
2 |
5716 |
73.1 |
-3.0 |
0.470 |
3 |
0 |
0 |
0.008 |
| 11 |
13 |
|
[SO4]A:102 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
5716 |
59.2 |
-8.2 |
0.656 |
1 |
0 |
0 |
0.428 |
| 12 |
14 |
|
[NO3]C:101 |
4 |
1 |
161 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
4320 |
53.4 |
1.0 |
0.900 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[NO3]D:101 |
4 |
1 |
162 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
4317 |
53.3 |
0.9 |
0.888 |
2 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[NO3]B:101 |
3 |
1 |
162 |
f |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
8 |
3 |
5716 |
52.4 |
0.3 |
0.090 |
1 |
0 |
0 |
0.007 |
| 15 |
17 |
|
B |
4 |
3 |
5331 |
f |
[SO4]A:101 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
4 |
1 |
185 |
50.9 |
-6.2 |
0.889 |
2 |
0 |
0 |
0.233 |
| 16 |
18 |
|
B |
3 |
2 |
5331 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
6 |
2 |
4320 |
47.5 |
0.5 |
0.762 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[NO3]D:101 |
4 |
1 |
162 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
4320 |
43.1 |
0.2 |
0.846 |
1 |
0 |
0 |
0.100 |
| 18 |
20 |
|
[NO3]C:101 |
4 |
1 |
161 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
4317 |
42.0 |
0.3 |
0.844 |
2 |
0 |
0 |
0.100 |
| 19 |
21 |
|
B |
6 |
4 |
5331 |
f |
[NO3]A:103 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
3 |
1 |
162 |
38.8 |
0.5 |
0.828 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[SO4]A:101 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
5716 |
38.3 |
-4.1 |
0.855 |
1 |
0 |
0 |
0.151 |
| 21 |
23 |
|
[NO3]B:101 |
4 |
1 |
162 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
5331 |
38.1 |
0.8 |
0.909 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
C |
6 |
2 |
4320 |
◊ |
C |
-y,-x,-z+1/2 |
8_555 |
6 |
2 |
4320 |
32.9 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
A |
5 |
2 |
5716 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
7 |
2 |
5716 |
28.1 |
-0.4 |
0.570 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
C |
4 |
2 |
4320 |
x |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
4320 |
21.4 |
-1.1 |
0.471 |
0 |
0 |
0 |
0.000 |
|