## |
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 |
|
A |
143 |
47 |
18892 |
◊ |
A |
x,x-y+1,-z |
6_565 |
142 |
46 |
18892 |
1188.0 |
-2.6 |
0.559 |
4 |
0 |
0 |
0.013 |
2 |
2 |
|
B |
121 |
36 |
19020 |
◊ |
B |
x,x-y+2,-z |
6_575 |
124 |
36 |
19020 |
1075.5 |
-2.9 |
0.511 |
19 |
0 |
0 |
0.035 |
3 |
3 |
|
A |
109 |
28 |
18892 |
◊ |
A |
-x+y,y,-z-1/3 |
5_554 |
109 |
28 |
18892 |
957.9 |
-5.8 |
0.310 |
6 |
6 |
0 |
0.031 |
4 |
|
B |
90 |
22 |
19020 |
◊ |
B |
-x+y,y,-z-1/3 |
5_554 |
90 |
22 |
19020 |
805.8 |
-6.3 |
0.238 |
6 |
6 |
0 |
0.031 |
Average: |
881.9 |
-6.0 |
0.274 |
6 |
6 |
0 |
0.031 |
4 |
5 |
|
B |
80 |
28 |
19020 |
◊ |
A |
x,y,z |
1_555 |
75 |
24 |
18892 |
709.2 |
-6.5 |
0.180 |
3 |
0 |
0 |
0.022 |
5 |
6 |
|
B |
58 |
16 |
19020 |
◊ |
A |
-x+y,y,-z-1/3 |
5_554 |
59 |
17 |
18892 |
454.5 |
1.9 |
0.776 |
7 |
2 |
0 |
0.004 |
6 |
7 |
|
[GLC]B:601 |
10 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
19020 |
105.1 |
1.2 |
0.204 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[SO4]B:604 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
19020 |
103.3 |
-13.7 |
0.760 |
3 |
0 |
0 |
0.095 |
8 |
9 |
|
[GLC]A:601 |
9 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
18892 |
101.0 |
2.6 |
0.469 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[SO4]A:607 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
18892 |
100.3 |
-16.8 |
0.588 |
4 |
0 |
0 |
0.107 |
10 |
11 |
|
[SO4]A:608 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
18892 |
98.2 |
-14.4 |
0.862 |
3 |
0 |
0 |
0.090 |
11 |
12 |
|
[SO4]B:612 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19020 |
95.7 |
-15.5 |
0.476 |
7 |
0 |
0 |
0.118 |
12 |
13 |
|
[SO4]B:606 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19020 |
93.7 |
-13.4 |
0.854 |
3 |
0 |
0 |
0.093 |
13 |
14 |
|
[CL]A:617 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
18892 |
87.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.072 |
14 |
15 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
18892 |
85.6 |
-12.9 |
0.727 |
4 |
0 |
0 |
0.084 |
15 |
16 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
19020 |
84.5 |
-12.7 |
0.736 |
5 |
0 |
0 |
0.094 |
16 |
17 |
|
[SO4]B:605 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
19020 |
84.3 |
-12.6 |
0.706 |
5 |
0 |
0 |
0.094 |
18 |
|
[SO4]A:613 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
18892 |
84.1 |
-12.7 |
0.695 |
4 |
0 |
0 |
0.094 |
Average: |
84.2 |
-12.6 |
0.700 |
5 |
0 |
0 |
0.094 |
17 |
19 |
|
[SO4]A:615 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
18892 |
81.4 |
-11.3 |
0.713 |
3 |
0 |
0 |
0.073 |
18 |
20 |
|
[SO4]B:614 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
19020 |
78.8 |
-11.0 |
0.734 |
3 |
0 |
0 |
0.078 |
19 |
21 |
|
[SO4]A:606 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18892 |
76.2 |
-9.4 |
0.946 |
5 |
0 |
0 |
0.067 |
20 |
22 |
|
[SO4]A:614 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
18892 |
74.5 |
-9.0 |
0.970 |
1 |
0 |
0 |
0.054 |
21 |
23 |
|
[SO4]B:610 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
19020 |
73.3 |
-9.0 |
0.930 |
5 |
0 |
0 |
0.071 |
22 |
24 |
|
[SO4]A:611 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18892 |
69.3 |
-9.0 |
0.857 |
2 |
0 |
0 |
0.056 |
23 |
25 |
|
[SO4]A:616 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
18892 |
69.0 |
-9.2 |
0.625 |
1 |
0 |
0 |
0.055 |
24 |
26 |
|
[CL]B:615 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19020 |
66.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.062 |
25 |
27 |
|
[SO4]B:613 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
19020 |
62.3 |
-8.1 |
0.789 |
1 |
0 |
0 |
0.054 |
26 |
28 |
|
[SO4]A:609 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18892 |
61.5 |
-8.1 |
0.814 |
1 |
0 |
0 |
0.049 |
27 |
29 |
|
[SO4]B:609 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
19020 |
60.6 |
-8.0 |
0.545 |
2 |
0 |
0 |
0.056 |
28 |
30 |
|
[SO4]A:605 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
18892 |
59.4 |
-7.7 |
0.615 |
1 |
0 |
0 |
0.046 |
29 |
31 |
|
[SO4]B:604 |
4 |
1 |
184 |
◊ |
B |
x,x-y+2,-z |
6_575 |
6 |
2 |
19020 |
59.2 |
-6.9 |
0.892 |
2 |
0 |
0 |
0.048 |
30 |
32 |
|
[SO4]B:611 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
19020 |
57.0 |
-7.2 |
0.643 |
2 |
0 |
0 |
0.051 |
31 |
33 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
18892 |
56.9 |
-7.5 |
0.477 |
2 |
0 |
0 |
0.048 |
32 |
34 |
|
[SO4]A:612 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18892 |
54.3 |
-6.9 |
0.878 |
1 |
0 |
0 |
0.042 |
33 |
35 |
|
[SO4]B:608 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
19020 |
48.5 |
-4.7 |
0.968 |
2 |
0 |
0 |
0.035 |
34 |
36 |
|
[SO4]B:612 |
4 |
1 |
185 |
◊ |
B |
-x+y,y,-z-1/3 |
5_554 |
4 |
2 |
19020 |
47.9 |
-4.3 |
0.971 |
2 |
0 |
0 |
0.033 |
35 |
37 |
|
[SO4]B:603 |
4 |
1 |
185 |
◊ |
A |
-x+y,y,-z-1/3 |
5_554 |
7 |
3 |
18892 |
46.3 |
-4.7 |
0.944 |
1 |
0 |
0 |
0.015 |
36 |
38 |
|
[SO4]A:610 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
18892 |
45.9 |
-4.5 |
0.975 |
2 |
0 |
0 |
0.031 |
37 |
39 |
|
[SO4]A:603 |
4 |
1 |
185 |
◊ |
B |
-x+y,y,-z-1/3 |
5_554 |
7 |
3 |
19020 |
44.3 |
-4.4 |
0.943 |
1 |
0 |
0 |
0.014 |
38 |
40 |
|
[SO4]B:607 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19020 |
44.2 |
-5.0 |
0.797 |
1 |
0 |
0 |
0.035 |
39 |
41 |
|
[SO4]A:607 |
4 |
1 |
186 |
◊ |
A |
-x+y,y,-z-1/3 |
5_554 |
3 |
2 |
18892 |
41.7 |
-3.8 |
0.952 |
2 |
0 |
0 |
0.027 |
40 |
42 |
|
[SO4]A:614 |
3 |
1 |
185 |
◊ |
A |
x,x-y+1,-z |
6_565 |
4 |
2 |
18892 |
37.2 |
-3.1 |
0.972 |
1 |
0 |
0 |
0.020 |
41 |
43 |
|
[SO4]A:605 |
3 |
1 |
185 |
◊ |
A |
x,x-y+1,-z |
6_565 |
3 |
1 |
18892 |
36.3 |
-3.6 |
0.939 |
2 |
0 |
0 |
0.025 |
42 |
44 |
|
[SO4]B:612 |
1 |
1 |
185 |
◊ |
[SO4]B:612 |
-x+y,y,-z-1/3 |
5_554 |
1 |
1 |
185 |
6.6 |
-1.6 |
0.800 |
0 |
0 |
0 |
0.005 |
43 |
45 |
|
[SO4]A:607 |
1 |
1 |
186 |
◊ |
[SO4]A:607 |
-x+y,y,-z-1/3 |
5_554 |
1 |
1 |
186 |
2.6 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.002 |
44 |
46 |
|
[SO4]B:606 |
1 |
1 |
186 |
f |
[SO4]B:605 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.8 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
|