## |
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 |
59 |
18 |
15160 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
14917 |
545.5 |
0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
53 |
15 |
14880 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
58 |
14 |
14917 |
535.0 |
-0.5 |
0.387 |
0 |
0 |
0 |
0.000 |
3 |
|
B |
55 |
14 |
14880 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
14917 |
484.6 |
-1.5 |
0.330 |
0 |
0 |
0 |
0.000 |
Average: |
509.8 |
-1.0 |
0.358 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
43 |
13 |
14917 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
45 |
17 |
14880 |
393.7 |
1.4 |
0.687 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
50 |
13 |
15160 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
14880 |
345.6 |
-1.1 |
0.448 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
39 |
9 |
14917 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
37 |
10 |
14917 |
338.0 |
0.5 |
0.622 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
20 |
6 |
15160 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
7 |
14880 |
235.2 |
-1.4 |
0.314 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
C |
27 |
8 |
15160 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
25 |
9 |
14880 |
181.0 |
2.2 |
0.789 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
C |
19 |
6 |
15160 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
6 |
14880 |
172.1 |
-1.5 |
0.303 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
C |
18 |
5 |
15160 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
16 |
4 |
14917 |
143.7 |
-1.7 |
0.242 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[SO4]C:405 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
15160 |
111.8 |
-18.4 |
0.716 |
0 |
0 |
0 |
0.018 |
11 |
12 |
|
B |
17 |
5 |
14880 |
x |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
10 |
3 |
14880 |
107.4 |
0.9 |
0.725 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
14880 |
103.8 |
-14.9 |
0.737 |
0 |
0 |
0 |
0.016 |
13 |
14 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14917 |
94.7 |
-14.0 |
0.598 |
0 |
0 |
0 |
0.013 |
14 |
15 |
|
[SO4]C:407 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
15160 |
79.1 |
-11.0 |
0.675 |
0 |
0 |
0 |
0.011 |
15 |
16 |
|
[SO4]A:406 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
14917 |
76.6 |
-10.5 |
0.752 |
0 |
0 |
0 |
0.010 |
16 |
17 |
|
[SO4]C:404 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
15160 |
72.9 |
-7.8 |
0.971 |
0 |
0 |
0 |
0.008 |
17 |
18 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14917 |
71.7 |
-8.2 |
0.956 |
0 |
0 |
0 |
0.008 |
18 |
19 |
|
[SO4]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14917 |
69.1 |
-8.4 |
0.886 |
0 |
0 |
0 |
0.008 |
19 |
20 |
|
[SO4]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14880 |
65.5 |
-7.6 |
0.899 |
0 |
0 |
0 |
0.008 |
20 |
21 |
|
[SO4]C:406 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15160 |
63.3 |
-7.1 |
0.929 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]C:406 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14880 |
58.6 |
-7.9 |
0.620 |
0 |
0 |
0 |
0.008 |
22 |
23 |
|
C |
10 |
3 |
15160 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
4 |
15160 |
55.8 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[SO4]A:405 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14880 |
55.1 |
-7.5 |
0.628 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
C |
7 |
4 |
15160 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
14917 |
53.0 |
1.1 |
0.675 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14917 |
51.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.013 |
27 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14880 |
50.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.013 |
28 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
15160 |
49.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
50.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.013 |
26 |
29 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
15160 |
49.0 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.041 |
30 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14917 |
49.0 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.041 |
31 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
14880 |
49.0 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
49.0 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.041 |
27 |
32 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
14917 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.013 |
33 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
15160 |
42.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14880 |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
42.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.013 |
28 |
35 |
|
[SO4]C:404 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
14917 |
41.2 |
-3.7 |
0.950 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
C |
1 |
1 |
15160 |
◊ |
[SO4]A:404 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
186 |
1.5 |
-0.1 |
0.887 |
0 |
0 |
0 |
0.000 |
|