| ## |
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 |
|
H |
171 |
53 |
11695 |
◊ |
L |
x,y,z |
1_555 |
192 |
51 |
11119 |
1620.5 |
-19.9 |
0.084 |
16 |
2 |
0 |
0.666 |
2 |
|
K |
171 |
51 |
11635 |
◊ |
J |
x,y,z |
1_555 |
186 |
52 |
10939 |
1553.4 |
-20.3 |
0.072 |
15 |
0 |
0 |
0.666 |
| Average: |
1587.0 |
-20.1 |
0.078 |
16 |
1 |
0 |
0.666 |
| 2 |
3 |
|
W |
122 |
32 |
6750 |
◊ |
V |
x,y,z |
1_555 |
123 |
33 |
6769 |
1315.1 |
-20.9 |
0.084 |
16 |
2 |
0 |
1.000 |
| 3 |
4 |
|
K |
87 |
21 |
11635 |
◊ |
V |
x,y,z |
1_555 |
80 |
18 |
6769 |
766.6 |
-4.4 |
0.586 |
17 |
0 |
0 |
0.410 |
5 |
|
H |
89 |
22 |
11695 |
◊ |
W |
x,y,z |
1_555 |
80 |
18 |
6750 |
761.1 |
-4.6 |
0.603 |
18 |
0 |
0 |
0.410 |
| Average: |
763.8 |
-4.5 |
0.595 |
18 |
0 |
0 |
0.410 |
| 4 |
6 |
|
J |
56 |
20 |
10939 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
59 |
17 |
11695 |
511.0 |
-0.5 |
0.713 |
10 |
0 |
0 |
0.005 |
| 5 |
7 |
|
H |
38 |
10 |
11695 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
38 |
12 |
11119 |
366.2 |
0.0 |
0.703 |
7 |
0 |
0 |
0.000 |
| 6 |
8 |
|
K |
24 |
9 |
11635 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
25 |
11 |
11119 |
196.8 |
-0.7 |
0.576 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
K |
20 |
7 |
11635 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
22 |
8 |
11695 |
177.2 |
-0.8 |
0.597 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
J |
23 |
8 |
10939 |
◊ |
V |
-x+1,y-1/2,-z |
2_645 |
14 |
7 |
6769 |
161.5 |
-1.1 |
0.488 |
3 |
0 |
0 |
0.003 |
| 9 |
11 |
|
W |
18 |
6 |
6750 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
17 |
6 |
11119 |
158.3 |
0.3 |
0.708 |
3 |
3 |
0 |
0.000 |
| 10 |
12 |
|
K |
14 |
5 |
11635 |
◊ |
J |
x,y-1,z |
1_545 |
15 |
5 |
10939 |
143.1 |
-1.7 |
0.332 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
J |
14 |
4 |
10939 |
◊ |
L |
-x,y-3/2,-z |
2_535 |
10 |
4 |
11119 |
105.1 |
-0.3 |
0.541 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
W |
10 |
2 |
6750 |
◊ |
L |
x,y,z |
1_555 |
9 |
5 |
11119 |
97.8 |
-0.6 |
0.344 |
0 |
0 |
0 |
0.011 |
15 |
|
V |
10 |
2 |
6769 |
◊ |
J |
x,y,z |
1_555 |
9 |
5 |
10939 |
92.3 |
-0.6 |
0.348 |
0 |
0 |
0 |
0.011 |
| Average: |
95.1 |
-0.6 |
0.346 |
0 |
0 |
0 |
0.011 |
| 13 |
16 |
|
K |
7 |
3 |
11635 |
◊ |
V |
x,y-1,z |
1_545 |
9 |
3 |
6769 |
86.0 |
-0.9 |
0.401 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]H:232 |
5 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
11695 |
84.6 |
-11.9 |
0.822 |
6 |
0 |
0 |
0.472 |
| 15 |
18 |
|
[SO4]K:232 |
5 |
1 |
180 |
f |
K |
x,y,z |
1_555 |
10 |
6 |
11635 |
82.1 |
-11.7 |
0.815 |
4 |
0 |
0 |
0.451 |
| 16 |
19 |
|
H |
8 |
3 |
11695 |
◊ |
V |
x,y,z |
1_555 |
11 |
3 |
6769 |
69.3 |
-0.5 |
0.517 |
0 |
0 |
0 |
0.007 |
20 |
|
K |
8 |
3 |
11635 |
◊ |
W |
x,y,z |
1_555 |
10 |
3 |
6750 |
68.7 |
-0.5 |
0.508 |
0 |
0 |
0 |
0.007 |
| Average: |
69.0 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.007 |
| 17 |
21 |
|
[SO4]K:232 |
3 |
1 |
180 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
6769 |
31.8 |
-4.5 |
0.628 |
0 |
0 |
0 |
0.149 |
| 18 |
22 |
|
H |
3 |
3 |
11695 |
x |
H |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
11695 |
30.3 |
0.5 |
0.698 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[SO4]H:232 |
4 |
1 |
182 |
◊ |
W |
x,y,z |
1_555 |
3 |
2 |
6750 |
27.3 |
-3.6 |
0.538 |
0 |
0 |
0 |
0.118 |
| 20 |
24 |
|
L |
1 |
1 |
11119 |
x |
L |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11119 |
4.4 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[SO4]H:232 |
1 |
1 |
182 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
6769 |
1.2 |
-0.2 |
0.749 |
0 |
0 |
0 |
0.001 |
|