| ## |
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 |
|
D |
64 |
17 |
9925 |
◊ |
B |
x,y,z |
1_555 |
67 |
17 |
9678 |
596.5 |
-7.9 |
0.106 |
7 |
1 |
0 |
0.192 |
2 |
|
C |
65 |
16 |
9817 |
◊ |
A |
x,y,z |
1_555 |
65 |
17 |
9550 |
594.2 |
-7.6 |
0.096 |
7 |
1 |
0 |
0.192 |
3 |
|
D |
68 |
16 |
9925 |
◊ |
C |
x,y,z |
1_555 |
64 |
17 |
9817 |
585.6 |
-7.0 |
0.142 |
8 |
1 |
0 |
0.192 |
4 |
|
B |
67 |
18 |
9678 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
9550 |
583.6 |
-7.7 |
0.107 |
7 |
1 |
0 |
0.192 |
| Average: |
590.0 |
-7.6 |
0.113 |
7 |
1 |
0 |
0.192 |
| 2 |
5 |
|
B |
43 |
13 |
9678 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
43 |
14 |
9817 |
414.0 |
-7.4 |
0.058 |
3 |
1 |
0 |
0.000 |
6 |
|
A |
40 |
16 |
9550 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
44 |
13 |
9925 |
408.9 |
-7.1 |
0.061 |
1 |
0 |
0 |
0.000 |
| Average: |
411.4 |
-7.2 |
0.060 |
2 |
1 |
0 |
0.000 |
| 3 |
7 |
|
[0N8]D:305 |
27 |
1 |
604 |
f |
D |
x,y,z |
1_555 |
52 |
22 |
9925 |
372.0 |
-4.1 |
0.526 |
6 |
0 |
0 |
0.030 |
| 4 |
8 |
|
D |
28 |
7 |
9925 |
◊ |
A |
x,-y,-z |
4_555 |
26 |
7 |
9550 |
221.7 |
1.1 |
0.717 |
4 |
8 |
0 |
0.000 |
9 |
|
C |
28 |
7 |
9817 |
◊ |
C |
x,-y,-z |
4_555 |
28 |
7 |
9817 |
219.6 |
0.6 |
0.662 |
4 |
6 |
0 |
0.000 |
10 |
|
B |
27 |
6 |
9678 |
◊ |
B |
x,-y,-z |
4_555 |
27 |
6 |
9678 |
219.4 |
0.7 |
0.659 |
4 |
6 |
0 |
0.000 |
| Average: |
220.2 |
0.8 |
0.679 |
4 |
7 |
0 |
0.000 |
| 5 |
11 |
|
D |
19 |
7 |
9925 |
◊ |
B |
x,-y,-z |
4_555 |
20 |
7 |
9678 |
159.1 |
1.4 |
0.751 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
18 |
6 |
9817 |
◊ |
A |
x,-y,-z |
4_555 |
19 |
7 |
9550 |
145.8 |
2.5 |
0.845 |
1 |
2 |
0 |
0.000 |
| Average: |
152.4 |
1.9 |
0.798 |
1 |
1 |
0 |
0.000 |
| 6 |
13 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
9925 |
101.1 |
-15.5 |
0.786 |
6 |
0 |
0 |
0.080 |
| 7 |
14 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
9678 |
99.1 |
-15.7 |
0.721 |
8 |
0 |
0 |
0.084 |
| 8 |
15 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
9678 |
99.1 |
-12.8 |
0.882 |
4 |
0 |
0 |
0.064 |
| 9 |
16 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9550 |
97.0 |
-14.9 |
0.729 |
5 |
0 |
0 |
0.075 |
| 10 |
17 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
9817 |
94.5 |
-14.6 |
0.682 |
4 |
0 |
0 |
0.072 |
| 11 |
18 |
|
[SO4]C:301 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9817 |
92.8 |
-11.9 |
0.891 |
3 |
0 |
0 |
0.058 |
| 12 |
19 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9550 |
91.6 |
-11.9 |
0.880 |
6 |
0 |
0 |
0.064 |
| 13 |
20 |
|
[SO4]D:301 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
9925 |
90.9 |
-12.5 |
0.847 |
4 |
0 |
0 |
0.062 |
| 14 |
21 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9550 |
66.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.074 |
22 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9678 |
66.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.074 |
23 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9817 |
65.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
9925 |
50.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
62.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.074 |
| 15 |
25 |
|
[MN]A:303 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
9550 |
59.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
26 |
|
[MN]B:303 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9678 |
58.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
27 |
|
[MN]C:303 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
9817 |
58.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
28 |
|
[MN]D:303 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
9925 |
43.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
55.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.080 |
| 16 |
29 |
|
[0N8]D:305 |
5 |
1 |
604 |
f |
[MN]D:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 17 |
30 |
|
[0N8]D:305 |
4 |
1 |
604 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| 18 |
31 |
|
C |
4 |
2 |
9817 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
9817 |
37.5 |
0.9 |
0.828 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| 20 |
33 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| 21 |
34 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
22.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| 22 |
35 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 23 |
36 |
|
D |
1 |
1 |
9925 |
◊ |
D |
-x-1,y,-z+1/2 |
3_455 |
1 |
1 |
9925 |
14.5 |
1.1 |
0.955 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
D |
4 |
2 |
9925 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
2 |
9550 |
6.3 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
1 |
1 |
9678 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
9817 |
2.3 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
| Average: |
4.3 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
| 25 |
39 |
|
A |
2 |
1 |
9550 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
9550 |
4.6 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|