| ## |
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 |
65 |
17 |
9954 |
◊ |
B |
x,y,z |
1_555 |
68 |
17 |
9754 |
608.5 |
-7.6 |
0.127 |
6 |
1 |
0 |
0.205 |
2 |
|
C |
65 |
16 |
9885 |
◊ |
A |
x,y,z |
1_555 |
63 |
17 |
9629 |
600.4 |
-7.9 |
0.097 |
8 |
1 |
0 |
0.205 |
3 |
|
B |
64 |
17 |
9754 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
9629 |
598.5 |
-7.8 |
0.111 |
7 |
1 |
0 |
0.205 |
4 |
|
D |
67 |
16 |
9954 |
◊ |
C |
x,y,z |
1_555 |
65 |
18 |
9885 |
596.6 |
-7.4 |
0.138 |
7 |
1 |
0 |
0.205 |
| Average: |
601.0 |
-7.7 |
0.118 |
7 |
1 |
0 |
0.205 |
| 2 |
5 |
|
A |
43 |
16 |
9629 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
44 |
13 |
9954 |
410.7 |
-7.1 |
0.074 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
42 |
13 |
9754 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
43 |
14 |
9885 |
409.2 |
-7.7 |
0.050 |
4 |
1 |
0 |
0.000 |
| Average: |
410.0 |
-7.4 |
0.062 |
3 |
1 |
0 |
0.000 |
| 3 |
7 |
|
D |
27 |
7 |
9954 |
◊ |
A |
x,-y,-z |
4_555 |
29 |
8 |
9629 |
222.3 |
1.0 |
0.726 |
4 |
7 |
0 |
0.000 |
8 |
|
B |
28 |
8 |
9754 |
◊ |
B |
x,-y,-z |
4_555 |
28 |
8 |
9754 |
221.5 |
0.3 |
0.639 |
4 |
6 |
0 |
0.000 |
9 |
|
C |
25 |
6 |
9885 |
◊ |
C |
x,-y,-z |
4_555 |
25 |
6 |
9885 |
216.0 |
0.4 |
0.649 |
4 |
8 |
0 |
0.000 |
| Average: |
220.0 |
0.6 |
0.671 |
4 |
7 |
0 |
0.000 |
| 4 |
10 |
|
C |
21 |
7 |
9885 |
◊ |
A |
x,-y,-z |
4_555 |
22 |
8 |
9629 |
176.8 |
2.1 |
0.807 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
20 |
7 |
9954 |
◊ |
B |
x,-y,-z |
4_555 |
22 |
7 |
9754 |
150.8 |
1.6 |
0.780 |
0 |
0 |
0 |
0.000 |
| Average: |
163.8 |
1.8 |
0.794 |
0 |
0 |
0 |
0.000 |
| 5 |
12 |
|
[0N7]C:305 |
13 |
1 |
318 |
f |
C |
x,y,z |
1_555 |
23 |
12 |
9885 |
157.2 |
3.9 |
0.288 |
2 |
0 |
0 |
0.000 |
13 |
|
[0N7]D:305 |
13 |
1 |
316 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
9954 |
139.7 |
2.2 |
0.244 |
2 |
0 |
0 |
0.000 |
| Average: |
148.4 |
3.0 |
0.266 |
2 |
0 |
0 |
0.000 |
| 6 |
14 |
|
[0N7]B:305 |
13 |
1 |
314 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
9754 |
139.9 |
2.9 |
0.240 |
2 |
0 |
0 |
0.000 |
15 |
|
[0N7]A:305 |
13 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
9629 |
131.3 |
2.4 |
0.220 |
2 |
0 |
0 |
0.000 |
| Average: |
135.6 |
2.6 |
0.230 |
2 |
0 |
0 |
0.000 |
| 7 |
16 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9954 |
99.8 |
-15.4 |
0.732 |
6 |
0 |
0 |
0.085 |
| 8 |
17 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9754 |
98.7 |
-15.7 |
0.723 |
7 |
0 |
0 |
0.088 |
| 9 |
18 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9629 |
97.8 |
-15.2 |
0.743 |
6 |
0 |
0 |
0.084 |
| 10 |
19 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9885 |
92.7 |
-14.6 |
0.680 |
5 |
0 |
0 |
0.079 |
| 11 |
20 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9754 |
91.6 |
-12.2 |
0.874 |
5 |
0 |
0 |
0.067 |
| 12 |
21 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9629 |
90.6 |
-11.7 |
0.884 |
6 |
0 |
0 |
0.067 |
| 13 |
22 |
|
[SO4]D:301 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
9954 |
89.5 |
-12.1 |
0.868 |
4 |
0 |
0 |
0.065 |
| 14 |
23 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
9885 |
88.2 |
-11.8 |
0.887 |
4 |
0 |
0 |
0.064 |
| 15 |
24 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
9954 |
53.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
25 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9629 |
53.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.063 |
26 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9754 |
52.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.063 |
27 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9885 |
52.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
52.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 16 |
28 |
|
[MN]C:303 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
9885 |
45.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.067 |
29 |
|
[MN]B:303 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9754 |
45.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.067 |
30 |
|
[MN]D:303 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
9954 |
45.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.067 |
31 |
|
[MN]A:303 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
9629 |
45.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
45.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.067 |
| 17 |
32 |
|
[0N7]C:305 |
4 |
1 |
318 |
f |
[MN]C:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
|
[0N7]A:305 |
3 |
1 |
316 |
f |
[MN]A:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
34 |
|
[0N7]B:305 |
3 |
1 |
314 |
f |
[MN]B:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.026 |
35 |
|
[0N7]D:305 |
4 |
1 |
316 |
f |
[MN]D:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
36.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
37.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
| 18 |
36 |
|
[0N7]A:305 |
3 |
1 |
316 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.046 |
37 |
|
[0N7]C:305 |
3 |
1 |
318 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.046 |
38 |
|
[0N7]B:305 |
3 |
1 |
314 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.046 |
39 |
|
[0N7]D:305 |
3 |
1 |
316 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
35.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| 19 |
40 |
|
C |
3 |
1 |
9885 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
9885 |
32.6 |
0.4 |
0.756 |
0 |
0 |
0 |
0.000 |
| 20 |
41 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 21 |
42 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 22 |
43 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 23 |
44 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 24 |
45 |
|
D |
4 |
2 |
9954 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
3 |
9629 |
9.5 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
D |
1 |
1 |
9954 |
◊ |
D |
-x-1,y,-z+1/2 |
3_455 |
1 |
1 |
9954 |
8.8 |
0.6 |
0.913 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
[SO4]A:301 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9885 |
2.4 |
-0.2 |
0.879 |
0 |
0 |
0 |
0.001 |
| 27 |
48 |
|
A |
1 |
1 |
9629 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
9629 |
0.4 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
|