## |
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 |
211 |
54 |
13407 |
◊ |
B |
x,y,z |
1_555 |
217 |
53 |
12828 |
2060.8 |
-15.2 |
0.314 |
29 |
13 |
0 |
0.295 |
2 |
|
C |
211 |
53 |
13398 |
◊ |
A |
x,y,z |
1_555 |
219 |
52 |
12901 |
2046.6 |
-12.3 |
0.415 |
32 |
14 |
0 |
0.295 |
Average: |
2053.7 |
-13.8 |
0.364 |
31 |
14 |
0 |
0.295 |
2 |
3 |
|
D |
86 |
26 |
13407 |
◊ |
C |
x,y,z |
1_555 |
85 |
25 |
13398 |
816.3 |
-2.9 |
0.612 |
11 |
2 |
0 |
0.078 |
4 |
|
B |
86 |
25 |
12828 |
◊ |
A |
x,y,z |
1_555 |
89 |
25 |
12901 |
807.8 |
-3.0 |
0.607 |
14 |
3 |
0 |
0.078 |
Average: |
812.0 |
-2.9 |
0.610 |
13 |
3 |
0 |
0.078 |
3 |
5 |
|
C |
79 |
22 |
13398 |
◊ |
D |
y,x-1,-z |
4_545 |
72 |
21 |
13407 |
751.0 |
-9.5 |
0.138 |
8 |
0 |
0 |
0.059 |
4 |
6 |
|
A |
73 |
22 |
12901 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
73 |
22 |
12901 |
740.8 |
-9.1 |
0.136 |
11 |
0 |
0 |
0.159 |
5 |
7 |
|
[NAD]B:330 |
43 |
1 |
862 |
f |
B |
x,y,z |
1_555 |
91 |
38 |
12828 |
612.9 |
-7.2 |
0.478 |
15 |
0 |
0 |
0.273 |
8 |
|
[NAD]A:330 |
44 |
1 |
860 |
f |
A |
x,y,z |
1_555 |
90 |
35 |
12901 |
608.1 |
-6.7 |
0.480 |
12 |
0 |
0 |
0.273 |
9 |
|
[NAD]D:330 |
39 |
1 |
872 |
f |
D |
x,y,z |
1_555 |
72 |
29 |
13407 |
524.7 |
-5.7 |
0.474 |
10 |
0 |
0 |
0.273 |
10 |
|
[NAD]C:330 |
37 |
1 |
872 |
f |
C |
x,y,z |
1_555 |
70 |
30 |
13398 |
521.4 |
-5.6 |
0.431 |
7 |
0 |
0 |
0.273 |
Average: |
566.8 |
-6.3 |
0.466 |
11 |
0 |
0 |
0.273 |
6 |
11 |
|
D |
59 |
18 |
13407 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
12901 |
554.6 |
4.9 |
0.953 |
17 |
20 |
0 |
0.049 |
12 |
|
C |
59 |
18 |
13398 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
12828 |
547.2 |
4.9 |
0.952 |
17 |
19 |
0 |
0.049 |
Average: |
550.9 |
4.9 |
0.953 |
17 |
20 |
0 |
0.049 |
7 |
13 |
|
C |
32 |
9 |
13398 |
◊ |
B |
y,x-1,-z |
4_545 |
39 |
11 |
12828 |
324.1 |
-5.4 |
0.134 |
1 |
2 |
0 |
0.049 |
14 |
|
A |
42 |
11 |
12901 |
◊ |
D |
y,x-1,-z |
4_545 |
31 |
9 |
13407 |
317.5 |
-3.9 |
0.239 |
1 |
2 |
0 |
0.049 |
Average: |
320.8 |
-4.7 |
0.187 |
1 |
2 |
0 |
0.049 |
8 |
15 |
|
[SO4]A:331 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
12901 |
107.3 |
-16.4 |
0.607 |
5 |
0 |
0 |
0.422 |
9 |
16 |
|
[SO4]B:331 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12828 |
105.5 |
-16.4 |
0.617 |
5 |
0 |
0 |
0.183 |
10 |
17 |
|
[SO4]C:331 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
13398 |
100.3 |
-14.6 |
0.828 |
4 |
0 |
0 |
0.168 |
11 |
18 |
|
[SO4]D:331 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
13407 |
98.5 |
-15.5 |
0.686 |
4 |
0 |
0 |
0.169 |
12 |
19 |
|
[NAD]C:330 |
8 |
1 |
872 |
f |
[SO4]C:331 |
x,y,z |
1_555 |
4 |
1 |
188 |
50.0 |
-6.5 |
0.769 |
0 |
0 |
0 |
0.067 |
13 |
20 |
|
[NAD]D:330 |
6 |
1 |
872 |
f |
[SO4]D:331 |
x,y,z |
1_555 |
4 |
1 |
188 |
48.8 |
-6.2 |
0.746 |
0 |
0 |
0 |
0.061 |
14 |
21 |
|
[NAD]A:330 |
8 |
1 |
860 |
f |
[SO4]A:331 |
x,y,z |
1_555 |
4 |
1 |
188 |
47.3 |
-6.2 |
0.736 |
0 |
0 |
0 |
0.139 |
15 |
22 |
|
[NAD]B:330 |
7 |
1 |
862 |
f |
[SO4]B:331 |
x,y,z |
1_555 |
5 |
1 |
188 |
45.3 |
-5.9 |
0.735 |
0 |
0 |
0 |
0.058 |
16 |
23 |
|
C |
4 |
1 |
13398 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
3 |
1 |
12901 |
30.0 |
0.7 |
0.828 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
[NAD]C:330 |
4 |
1 |
872 |
◊ |
D |
y,x-1,-z |
4_545 |
5 |
2 |
13407 |
29.2 |
0.6 |
0.710 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
4 |
2 |
13398 |
◊ |
[NAD]D:330 |
y,x-1,-z |
4_545 |
3 |
1 |
872 |
25.3 |
0.5 |
0.693 |
0 |
0 |
0 |
0.000 |
Average: |
27.3 |
0.6 |
0.701 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[NAD]A:330 |
5 |
1 |
860 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
3 |
2 |
12901 |
9.9 |
-0.3 |
0.473 |
0 |
0 |
0 |
0.007 |
|