| ## |
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 |
|
F |
80 |
23 |
8984 |
◊ |
C |
-x,y,-z-1 |
2_554 |
83 |
27 |
8729 |
840.5 |
-10.8 |
0.021 |
11 |
5 |
0 |
0.530 |
2 |
|
D |
76 |
26 |
8779 |
◊ |
A |
-x,y,-z-1 |
2_554 |
78 |
25 |
8969 |
832.8 |
-11.9 |
0.024 |
9 |
3 |
0 |
0.530 |
3 |
|
E |
76 |
24 |
8810 |
◊ |
D |
x,y,z |
1_555 |
77 |
24 |
8779 |
797.9 |
-7.2 |
0.075 |
11 |
6 |
0 |
0.530 |
4 |
|
F |
76 |
24 |
8984 |
◊ |
E |
x,y,z |
1_555 |
76 |
24 |
8810 |
773.9 |
-9.2 |
0.038 |
7 |
6 |
0 |
0.530 |
5 |
|
C |
71 |
23 |
8729 |
◊ |
B |
x,y,z |
1_555 |
74 |
23 |
8944 |
764.6 |
-7.1 |
0.066 |
8 |
0 |
0 |
0.530 |
6 |
|
B |
76 |
22 |
8944 |
◊ |
A |
x,y,z |
1_555 |
71 |
24 |
8969 |
739.7 |
-10.2 |
0.031 |
6 |
4 |
0 |
0.530 |
| Average: |
791.6 |
-9.4 |
0.043 |
9 |
4 |
0 |
0.530 |
| 2 |
7 |
|
E |
81 |
18 |
8810 |
◊ |
C |
x,y,z |
1_555 |
77 |
18 |
8729 |
768.8 |
-13.5 |
0.037 |
2 |
0 |
0 |
0.486 |
8 |
|
D |
76 |
19 |
8779 |
◊ |
B |
x,y,z |
1_555 |
79 |
18 |
8944 |
749.9 |
-12.6 |
0.054 |
1 |
0 |
0 |
0.486 |
9 |
|
A |
82 |
18 |
8969 |
◊ |
A |
-x,y,-z-1 |
2_554 |
82 |
18 |
8969 |
744.5 |
-15.7 |
0.021 |
0 |
0 |
0 |
0.486 |
10 |
|
F |
76 |
18 |
8984 |
◊ |
F |
-x,y,-z-1 |
2_554 |
74 |
18 |
8984 |
727.8 |
-13.8 |
0.029 |
4 |
0 |
0 |
0.486 |
| Average: |
747.8 |
-13.9 |
0.035 |
2 |
0 |
0 |
0.486 |
| 3 |
11 |
|
D |
50 |
16 |
8779 |
◊ |
C |
x,y,z |
1_555 |
47 |
14 |
8729 |
470.5 |
-7.6 |
0.129 |
5 |
0 |
0 |
0.041 |
| 4 |
12 |
|
F |
44 |
14 |
8984 |
◊ |
E |
-x,y,-z-1 |
2_554 |
46 |
14 |
8810 |
432.2 |
-6.8 |
0.111 |
5 |
0 |
0 |
0.183 |
13 |
|
B |
45 |
14 |
8944 |
◊ |
A |
-x,y,-z-1 |
2_554 |
45 |
13 |
8969 |
432.1 |
-5.7 |
0.192 |
5 |
0 |
0 |
0.183 |
| Average: |
432.1 |
-6.3 |
0.151 |
5 |
0 |
0 |
0.183 |
| 5 |
14 |
|
B |
30 |
11 |
8944 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
31 |
10 |
8984 |
311.5 |
3.8 |
0.894 |
5 |
4 |
0 |
0.000 |
15 |
|
E |
32 |
9 |
8810 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
29 |
8 |
8969 |
265.0 |
0.3 |
0.667 |
2 |
2 |
0 |
0.000 |
| Average: |
288.3 |
2.0 |
0.781 |
4 |
3 |
0 |
0.000 |
| 6 |
16 |
|
A |
27 |
10 |
8969 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
21 |
7 |
8729 |
224.9 |
0.8 |
0.738 |
3 |
0 |
0 |
0.000 |
17 |
|
D |
26 |
8 |
8779 |
◊ |
F |
-x-1/2,y-1/2,-z-2 |
4_443 |
33 |
10 |
8984 |
216.7 |
0.9 |
0.712 |
1 |
0 |
0 |
0.000 |
| Average: |
220.8 |
0.9 |
0.725 |
2 |
0 |
0 |
0.000 |
| 7 |
18 |
|
B |
14 |
8 |
8944 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
8 |
4 |
8729 |
129.4 |
2.9 |
0.835 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
2 |
2 |
8779 |
◊ |
E |
-x-1/2,y-1/2,-z-2 |
4_443 |
4 |
2 |
8810 |
45.2 |
1.9 |
0.937 |
0 |
0 |
0 |
0.000 |
| Average: |
87.3 |
2.4 |
0.886 |
0 |
0 |
0 |
0.000 |
| 8 |
20 |
|
[SO4]F:190 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
8984 |
82.0 |
-12.5 |
0.692 |
3 |
0 |
0 |
0.640 |
| 9 |
21 |
|
[SO4]A:190 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8969 |
80.1 |
-11.7 |
0.738 |
5 |
0 |
0 |
0.639 |
| 10 |
22 |
|
[SO4]B:190 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8944 |
77.2 |
-11.6 |
0.765 |
5 |
0 |
0 |
0.514 |
| 11 |
23 |
|
[SO4]E:191 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
8810 |
77.1 |
-9.7 |
0.873 |
2 |
0 |
0 |
0.215 |
| 12 |
24 |
|
[SO4]E:190 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
8810 |
76.1 |
-10.3 |
0.778 |
2 |
0 |
0 |
0.227 |
| 13 |
25 |
|
[SO4]C:190 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8729 |
72.6 |
-9.3 |
0.908 |
3 |
0 |
0 |
0.207 |
| 14 |
26 |
|
A |
3 |
2 |
8969 |
◊ |
[SO4]C:190 |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
1 |
185 |
35.9 |
-4.0 |
0.904 |
1 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[SO4]E:191 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8729 |
33.4 |
-4.0 |
0.844 |
1 |
0 |
0 |
0.087 |
| 16 |
28 |
|
[SO4]E:191 |
3 |
1 |
186 |
◊ |
F |
-x,y,-z-1 |
2_554 |
5 |
3 |
8984 |
31.4 |
-4.6 |
0.568 |
0 |
0 |
0 |
0.094 |
|