| ## |
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 |
|
C |
65 |
16 |
9679 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
9458 |
595.0 |
-7.6 |
0.107 |
7 |
1 |
0 |
0.209 |
2 |
|
D |
63 |
17 |
9771 |
◊ |
B |
x,y,z |
1_555 |
69 |
17 |
9611 |
594.3 |
-7.9 |
0.105 |
7 |
1 |
0 |
0.209 |
3 |
|
B |
63 |
17 |
9611 |
◊ |
A |
x,y,z |
1_555 |
65 |
17 |
9458 |
589.9 |
-8.0 |
0.092 |
7 |
1 |
0 |
0.209 |
4 |
|
D |
67 |
16 |
9771 |
◊ |
C |
x,y,z |
1_555 |
66 |
18 |
9679 |
584.3 |
-7.3 |
0.134 |
7 |
1 |
0 |
0.209 |
| Average: |
590.9 |
-7.7 |
0.110 |
7 |
1 |
0 |
0.209 |
| 2 |
5 |
|
B |
43 |
12 |
9611 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
44 |
15 |
9679 |
416.6 |
-7.2 |
0.064 |
3 |
1 |
0 |
0.000 |
6 |
|
A |
45 |
16 |
9458 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
43 |
13 |
9771 |
413.1 |
-6.5 |
0.102 |
1 |
0 |
0 |
0.000 |
| Average: |
414.9 |
-6.8 |
0.083 |
2 |
1 |
0 |
0.000 |
| 3 |
7 |
|
D |
28 |
7 |
9771 |
◊ |
A |
x,-y,-z |
4_555 |
28 |
7 |
9458 |
222.1 |
0.6 |
0.686 |
4 |
8 |
0 |
0.000 |
8 |
|
B |
27 |
7 |
9611 |
◊ |
B |
x,-y,-z |
4_555 |
27 |
7 |
9611 |
215.6 |
0.4 |
0.633 |
4 |
8 |
0 |
0.000 |
9 |
|
C |
25 |
6 |
9679 |
◊ |
C |
x,-y,-z |
4_555 |
25 |
6 |
9679 |
211.0 |
0.0 |
0.603 |
4 |
8 |
0 |
0.000 |
| Average: |
216.2 |
0.3 |
0.641 |
4 |
8 |
0 |
0.000 |
| 4 |
10 |
|
C |
24 |
7 |
9679 |
◊ |
A |
x,-y,-z |
4_555 |
21 |
7 |
9458 |
175.8 |
2.6 |
0.833 |
1 |
1 |
0 |
0.000 |
11 |
|
D |
24 |
7 |
9771 |
◊ |
B |
x,-y,-z |
4_555 |
20 |
7 |
9611 |
168.7 |
1.8 |
0.782 |
0 |
0 |
0 |
0.000 |
| Average: |
172.3 |
2.2 |
0.807 |
1 |
1 |
0 |
0.000 |
| 5 |
12 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9611 |
98.4 |
-15.9 |
0.730 |
7 |
0 |
0 |
0.090 |
| 6 |
13 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9458 |
98.3 |
-15.5 |
0.745 |
6 |
0 |
0 |
0.087 |
| 7 |
14 |
|
[SO4]C:302 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
9679 |
97.6 |
-15.5 |
0.676 |
6 |
0 |
0 |
0.087 |
| 8 |
15 |
|
[SO4]D:302 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
9771 |
97.3 |
-15.5 |
0.742 |
6 |
0 |
0 |
0.087 |
| 9 |
16 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
9771 |
92.5 |
-12.0 |
0.878 |
8 |
0 |
0 |
0.074 |
| 10 |
17 |
|
[SO4]A:301 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
9458 |
92.5 |
-11.7 |
0.902 |
5 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
9679 |
90.6 |
-11.8 |
0.899 |
6 |
0 |
0 |
0.069 |
| 12 |
19 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9611 |
90.4 |
-12.0 |
0.878 |
5 |
0 |
0 |
0.068 |
| 13 |
20 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9458 |
63.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.084 |
21 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
9679 |
63.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.084 |
22 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9611 |
61.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.084 |
23 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
9771 |
61.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
62.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.084 |
| 14 |
24 |
|
[MN]A:303 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9458 |
55.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.088 |
25 |
|
[MN]C:303 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
9679 |
55.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.088 |
26 |
|
[MN]D:303 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
9771 |
55.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.088 |
27 |
|
[MN]B:303 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9611 |
54.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
55.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.088 |
| 15 |
28 |
|
C |
6 |
2 |
9679 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
9679 |
33.8 |
0.5 |
0.724 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
31.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| 17 |
30 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 18 |
31 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
29.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 19 |
32 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 20 |
33 |
|
D |
1 |
1 |
9771 |
◊ |
D |
-x-1,y,-z+1/2 |
3_455 |
1 |
1 |
9771 |
16.3 |
1.2 |
0.962 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
D |
1 |
1 |
9771 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
9458 |
6.0 |
-0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
1 |
1 |
9611 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
9679 |
3.1 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
| Average: |
4.5 |
-0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
A |
2 |
1 |
9458 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
9458 |
4.1 |
-0.1 |
0.504 |
0 |
0 |
0 |
0.000 |
|