| ## |
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 |
63 |
17 |
9820 |
◊ |
B |
x,y,z |
1_555 |
67 |
17 |
9799 |
606.7 |
-8.0 |
0.081 |
8 |
1 |
0 |
0.187 |
2 |
|
D |
69 |
16 |
9820 |
◊ |
C |
x,y,z |
1_555 |
64 |
18 |
9704 |
600.5 |
-7.5 |
0.110 |
5 |
1 |
0 |
0.187 |
3 |
|
B |
63 |
17 |
9799 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
9586 |
594.2 |
-7.7 |
0.108 |
5 |
1 |
0 |
0.187 |
4 |
|
C |
59 |
14 |
9704 |
◊ |
A |
x,y,z |
1_555 |
66 |
16 |
9586 |
556.2 |
-7.2 |
0.122 |
5 |
1 |
0 |
0.187 |
| Average: |
589.4 |
-7.6 |
0.105 |
6 |
1 |
0 |
0.187 |
| 2 |
5 |
|
B |
44 |
13 |
9799 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
43 |
15 |
9704 |
423.0 |
-7.5 |
0.056 |
4 |
1 |
0 |
0.000 |
6 |
|
A |
44 |
16 |
9586 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
45 |
13 |
9820 |
410.0 |
-7.0 |
0.071 |
2 |
0 |
0 |
0.000 |
| Average: |
416.5 |
-7.2 |
0.063 |
3 |
1 |
0 |
0.000 |
| 3 |
7 |
|
D |
28 |
7 |
9820 |
◊ |
A |
x,-y,-z |
4_555 |
28 |
7 |
9586 |
228.5 |
1.0 |
0.702 |
3 |
7 |
0 |
0.000 |
8 |
|
B |
27 |
7 |
9799 |
◊ |
B |
x,-y,-z |
4_555 |
27 |
7 |
9799 |
223.8 |
0.7 |
0.652 |
4 |
6 |
0 |
0.000 |
9 |
|
C |
25 |
6 |
9704 |
◊ |
C |
x,-y,-z |
4_555 |
25 |
6 |
9704 |
211.9 |
0.6 |
0.667 |
4 |
8 |
0 |
0.000 |
| Average: |
221.4 |
0.7 |
0.674 |
4 |
7 |
0 |
0.000 |
| 4 |
10 |
|
C |
23 |
7 |
9704 |
◊ |
A |
x,-y,-z |
4_555 |
23 |
7 |
9586 |
191.7 |
2.7 |
0.826 |
1 |
1 |
0 |
0.000 |
11 |
|
D |
24 |
8 |
9820 |
◊ |
B |
x,-y,-z |
4_555 |
24 |
8 |
9799 |
187.5 |
1.3 |
0.723 |
0 |
0 |
0 |
0.000 |
| Average: |
189.6 |
2.0 |
0.774 |
1 |
1 |
0 |
0.000 |
| 5 |
12 |
|
[DBH]C:305 |
11 |
1 |
284 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
9704 |
145.1 |
2.8 |
0.728 |
8 |
0 |
0 |
0.013 |
13 |
|
[DBH]D:305 |
11 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
9820 |
133.3 |
3.2 |
0.748 |
7 |
0 |
0 |
0.013 |
14 |
|
[DBH]A:305 |
11 |
1 |
284 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
9586 |
128.9 |
2.1 |
0.627 |
5 |
0 |
0 |
0.013 |
15 |
|
[DBH]B:305 |
10 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
21 |
13 |
9799 |
119.5 |
1.5 |
0.594 |
8 |
0 |
0 |
0.013 |
| Average: |
131.7 |
2.4 |
0.674 |
7 |
0 |
0 |
0.013 |
| 6 |
16 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9820 |
102.2 |
-15.1 |
0.788 |
6 |
0 |
0 |
0.081 |
| 7 |
17 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9799 |
101.9 |
-15.9 |
0.764 |
6 |
0 |
0 |
0.084 |
| 8 |
18 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
9586 |
100.4 |
-15.6 |
0.771 |
6 |
0 |
0 |
0.083 |
| 9 |
19 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9704 |
97.3 |
-15.5 |
0.658 |
4 |
0 |
0 |
0.078 |
| 10 |
20 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
9799 |
93.6 |
-12.6 |
0.843 |
4 |
0 |
0 |
0.065 |
| 11 |
21 |
|
[SO4]D:304 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
9820 |
92.5 |
-12.8 |
0.861 |
4 |
0 |
0 |
0.066 |
| 12 |
22 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
9704 |
91.5 |
-12.8 |
0.830 |
3 |
0 |
0 |
0.064 |
| 13 |
23 |
|
[SO4]A:304 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9586 |
90.5 |
-12.1 |
0.864 |
5 |
0 |
0 |
0.065 |
| 14 |
24 |
|
[MN]D:302 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
9820 |
51.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.059 |
25 |
|
[MN]A:301 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9586 |
51.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.059 |
26 |
|
[MN]C:302 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
9704 |
50.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.059 |
27 |
|
[MN]B:301 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9799 |
50.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
50.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.059 |
| 15 |
28 |
|
[MN]A:302 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
9586 |
45.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.064 |
29 |
|
[MN]C:301 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
9704 |
45.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.064 |
30 |
|
[MN]D:301 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
9820 |
44.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.064 |
31 |
|
[MN]B:302 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9799 |
43.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
44.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.064 |
| 16 |
32 |
|
[DBH]C:305 |
4 |
1 |
284 |
f |
[MN]C:302 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.036 |
33 |
|
[DBH]B:305 |
4 |
1 |
286 |
f |
[MN]B:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.036 |
34 |
|
[DBH]A:305 |
4 |
1 |
284 |
f |
[MN]A:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
35 |
|
[DBH]D:305 |
3 |
1 |
287 |
f |
[MN]D:302 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
38.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| 17 |
36 |
|
C |
5 |
2 |
9704 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
9704 |
36.3 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
| 18 |
37 |
|
[DBH]B:305 |
4 |
1 |
286 |
f |
[MN]B:302 |
x,y,z |
1_555 |
1 |
1 |
123 |
36.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
38 |
|
[DBH]A:305 |
4 |
1 |
284 |
f |
[MN]A:302 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
39 |
|
[DBH]D:305 |
4 |
1 |
287 |
f |
[MN]D:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
40 |
|
[DBH]C:305 |
4 |
1 |
284 |
f |
[MN]C:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
35.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
| 19 |
41 |
|
[MN]B:302 |
1 |
1 |
123 |
f |
[MN]B:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 20 |
42 |
|
[MN]C:302 |
1 |
1 |
123 |
f |
[MN]C:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 21 |
43 |
|
[MN]D:302 |
1 |
1 |
123 |
f |
[MN]D:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 22 |
44 |
|
[MN]A:302 |
1 |
1 |
123 |
f |
[MN]A:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 23 |
45 |
|
D |
1 |
1 |
9820 |
◊ |
D |
-x-1,y,-z+1/2 |
3_455 |
1 |
1 |
9820 |
6.5 |
0.5 |
0.884 |
0 |
0 |
0 |
0.000 |
| 24 |
46 |
|
B |
1 |
1 |
9799 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
9704 |
4.5 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
47 |
|
D |
1 |
1 |
9820 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
9586 |
0.8 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| Average: |
2.6 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
| 25 |
48 |
|
[SO4]A:304 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9704 |
1.4 |
-0.2 |
0.860 |
0 |
0 |
0 |
0.000 |
|