| ## |
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 |
|
R |
203 |
57 |
15362 |
◊ |
R |
x,x-y,-z+7/6 |
12_556 |
201 |
57 |
15362 |
1929.1 |
-24.8 |
0.049 |
33 |
20 |
0 |
0.304 |
2 |
|
O |
197 |
51 |
15166 |
◊ |
O |
x,x-y,-z+7/6 |
12_556 |
197 |
51 |
15166 |
1891.1 |
-25.8 |
0.040 |
30 |
20 |
0 |
0.304 |
| Average: |
1910.1 |
-25.3 |
0.044 |
32 |
20 |
0 |
0.304 |
| 2 |
3 |
|
R |
158 |
38 |
15362 |
◊ |
O |
x,y,z |
1_555 |
150 |
39 |
15166 |
1371.8 |
-22.8 |
0.026 |
23 |
2 |
0 |
0.212 |
| 3 |
4 |
|
[NAD]O:401 |
43 |
1 |
831 |
f |
O |
x,y,z |
1_555 |
78 |
34 |
15166 |
553.2 |
-7.0 |
0.345 |
7 |
0 |
0 |
0.147 |
5 |
|
[NAD]R:401 |
42 |
1 |
825 |
f |
R |
x,y,z |
1_555 |
77 |
31 |
15362 |
552.4 |
-6.6 |
0.388 |
8 |
0 |
0 |
0.147 |
| Average: |
552.8 |
-6.8 |
0.367 |
8 |
0 |
0 |
0.147 |
| 4 |
6 |
|
R |
55 |
16 |
15362 |
◊ |
O |
x,x-y,-z+7/6 |
12_556 |
60 |
18 |
15166 |
452.4 |
-1.7 |
0.596 |
6 |
0 |
0 |
0.021 |
| 5 |
7 |
|
R |
53 |
19 |
15362 |
◊ |
O |
x-1,x-y,-z+7/6 |
12_456 |
57 |
22 |
15166 |
441.2 |
-1.9 |
0.568 |
0 |
1 |
0 |
0.000 |
| 6 |
8 |
|
O |
48 |
12 |
15166 |
◊ |
R |
x-y+1,x,z+1/6 |
6_655 |
53 |
18 |
15362 |
412.2 |
-6.0 |
0.227 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
O |
14 |
4 |
15166 |
◊ |
O |
y,x,-z+4/3 |
7_556 |
14 |
4 |
15166 |
139.0 |
-1.8 |
0.335 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
R |
19 |
7 |
15362 |
◊ |
O |
x,x-y+1,-z+7/6 |
12_566 |
15 |
7 |
15166 |
127.6 |
0.4 |
0.699 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[SO4]R:403 |
5 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
19 |
10 |
15362 |
102.4 |
-15.2 |
0.753 |
4 |
0 |
0 |
0.185 |
| 10 |
12 |
|
[SO4]O:403 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
19 |
10 |
15166 |
101.9 |
-15.4 |
0.710 |
3 |
0 |
0 |
0.242 |
| 11 |
13 |
|
[SO4]R:405 |
5 |
1 |
186 |
f |
R |
x,y,z |
1_555 |
16 |
8 |
15362 |
87.9 |
-12.2 |
0.751 |
1 |
0 |
0 |
0.138 |
| 12 |
14 |
|
[SO4]R:402 |
5 |
1 |
186 |
f |
R |
x,y,z |
1_555 |
10 |
6 |
15362 |
82.0 |
-11.5 |
0.752 |
3 |
0 |
0 |
0.140 |
| 13 |
15 |
|
[SO4]R:404 |
5 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
11 |
5 |
15362 |
74.7 |
-10.2 |
0.768 |
1 |
0 |
0 |
0.117 |
| 14 |
16 |
|
[SO4]O:402 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
8 |
5 |
15166 |
74.5 |
-10.2 |
0.817 |
3 |
0 |
0 |
0.167 |
| 15 |
17 |
|
[NAD]O:401 |
8 |
1 |
831 |
◊ |
R |
x,y,z |
1_555 |
6 |
4 |
15362 |
54.2 |
-2.9 |
0.235 |
0 |
0 |
0 |
0.035 |
18 |
|
[NAD]R:401 |
6 |
1 |
825 |
◊ |
O |
x,y,z |
1_555 |
5 |
4 |
15166 |
43.6 |
-2.5 |
0.236 |
0 |
0 |
0 |
0.035 |
| Average: |
48.9 |
-2.7 |
0.236 |
0 |
0 |
0 |
0.035 |
| 16 |
19 |
|
[SO4]R:402 |
4 |
1 |
186 |
f |
[NAD]R:401 |
x,y,z |
1_555 |
13 |
1 |
825 |
50.5 |
-7.1 |
0.755 |
0 |
0 |
0 |
0.077 |
| 17 |
20 |
|
[SO4]O:404 |
5 |
1 |
186 |
f |
[SO4]O:404 |
x,x-y,-z+7/6 |
12_556 |
5 |
1 |
186 |
46.9 |
-9.9 |
0.993 |
0 |
0 |
0 |
0.100 |
| 18 |
21 |
|
[SO4]O:402 |
4 |
1 |
185 |
f |
[NAD]O:401 |
x,y,z |
1_555 |
11 |
1 |
831 |
46.7 |
-7.0 |
0.722 |
0 |
0 |
0 |
0.101 |
| 19 |
22 |
|
[SO4]O:404 |
4 |
1 |
186 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
15166 |
36.7 |
-4.5 |
0.722 |
0 |
0 |
0 |
0.054 |
| 20 |
23 |
|
[SO4]O:404 |
4 |
1 |
186 |
◊ |
R |
x,x-y,-z+7/6 |
12_556 |
8 |
3 |
15362 |
35.1 |
-4.3 |
0.649 |
0 |
0 |
0 |
0.041 |
| 21 |
24 |
|
[SO4]O:404 |
5 |
1 |
186 |
◊ |
R |
x,y,z |
1_555 |
7 |
3 |
15362 |
34.3 |
-4.0 |
0.632 |
0 |
0 |
0 |
0.038 |
| 22 |
25 |
|
[SO4]O:404 |
4 |
1 |
186 |
◊ |
O |
x,x-y,-z+7/6 |
12_556 |
9 |
3 |
15166 |
34.3 |
-4.1 |
0.736 |
0 |
0 |
0 |
0.050 |
| 23 |
26 |
|
[SO4]O:403 |
1 |
1 |
185 |
f |
[SO4]O:402 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.2 |
-2.7 |
0.800 |
0 |
0 |
0 |
0.039 |
|