## |
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 |
|
B |
149 |
41 |
20804 |
◊ |
A |
x,y,z |
1_555 |
147 |
41 |
20685 |
1275.3 |
-4.6 |
0.361 |
22 |
2 |
0 |
0.058 |
2 |
2 |
|
[DHE]B:602 |
45 |
1 |
866 |
f |
B |
x,y,z |
1_555 |
93 |
36 |
20804 |
648.2 |
-17.2 |
0.554 |
15 |
0 |
0 |
0.187 |
3 |
|
[DHE]A:602 |
46 |
1 |
868 |
f |
A |
x,y,z |
1_555 |
94 |
36 |
20685 |
645.3 |
-17.0 |
0.601 |
15 |
0 |
0 |
0.187 |
Average: |
646.8 |
-17.1 |
0.577 |
15 |
0 |
0 |
0.187 |
3 |
4 |
|
[HEC]A:601 |
43 |
1 |
819 |
cf |
A |
x,y,z |
1_555 |
71 |
26 |
20685 |
569.8 |
-21.4 |
0.032 |
2 |
0 |
0 |
0.173 |
5 |
|
[HEC]B:601 |
43 |
1 |
822 |
cf |
B |
x,y,z |
1_555 |
73 |
26 |
20804 |
569.7 |
-20.8 |
0.055 |
2 |
0 |
0 |
0.173 |
Average: |
569.8 |
-21.1 |
0.044 |
2 |
0 |
0 |
0.173 |
4 |
6 |
|
A |
59 |
15 |
20685 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
60 |
17 |
20685 |
514.6 |
-4.9 |
0.164 |
4 |
2 |
0 |
0.000 |
5 |
7 |
|
A |
54 |
15 |
20685 |
◊ |
B |
x,y,z-1 |
1_554 |
41 |
13 |
20804 |
403.5 |
0.3 |
0.595 |
4 |
2 |
0 |
0.000 |
6 |
8 |
|
A |
48 |
20 |
20685 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
43 |
16 |
20804 |
398.0 |
-0.9 |
0.497 |
4 |
2 |
0 |
0.000 |
7 |
9 |
|
B |
27 |
9 |
20804 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
31 |
11 |
20804 |
235.3 |
-0.1 |
0.545 |
4 |
2 |
0 |
0.000 |
8 |
10 |
|
A |
19 |
10 |
20685 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
20804 |
200.4 |
1.0 |
0.719 |
5 |
4 |
0 |
0.000 |
9 |
11 |
|
[GOL]A:611 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
20685 |
136.3 |
-0.3 |
0.481 |
6 |
0 |
0 |
0.024 |
12 |
|
[GOL]B:611 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
27 |
13 |
20804 |
133.7 |
-0.3 |
0.476 |
6 |
0 |
0 |
0.024 |
Average: |
135.0 |
-0.3 |
0.479 |
6 |
0 |
0 |
0.024 |
10 |
13 |
|
[GOL]A:612 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20685 |
125.4 |
-0.1 |
0.504 |
3 |
0 |
0 |
0.006 |
11 |
14 |
|
A |
14 |
5 |
20685 |
x |
A |
x,y-1,z |
1_545 |
15 |
6 |
20685 |
115.9 |
0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[SO4]B:623 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
20804 |
105.4 |
-14.4 |
0.545 |
1 |
0 |
0 |
0.058 |
13 |
16 |
|
[SO4]A:622 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
20685 |
100.6 |
-14.8 |
0.704 |
3 |
0 |
0 |
0.063 |
14 |
17 |
|
[SO4]B:622 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20804 |
97.5 |
-14.9 |
0.714 |
4 |
0 |
0 |
0.066 |
15 |
18 |
|
[SO4]B:603 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20804 |
94.4 |
-12.4 |
0.748 |
4 |
0 |
0 |
0.112 |
19 |
|
[SO4]A:603 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20685 |
93.8 |
-12.4 |
0.759 |
4 |
0 |
0 |
0.112 |
Average: |
94.1 |
-12.4 |
0.753 |
4 |
0 |
0 |
0.112 |
16 |
20 |
|
[SO4]B:621 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
20804 |
84.8 |
-11.0 |
0.912 |
4 |
0 |
0 |
0.050 |
17 |
21 |
|
[SO4]B:624 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
20804 |
73.6 |
-10.9 |
0.681 |
2 |
0 |
0 |
0.046 |
18 |
22 |
|
[SO4]A:621 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20685 |
72.1 |
-9.2 |
0.878 |
2 |
0 |
0 |
0.040 |
19 |
23 |
|
[SO4]A:603 |
5 |
1 |
189 |
f |
[DHE]A:602 |
x,y,z |
1_555 |
20 |
1 |
868 |
65.1 |
-10.0 |
0.969 |
0 |
0 |
0 |
0.078 |
24 |
|
[SO4]B:603 |
5 |
1 |
187 |
f |
[DHE]B:602 |
x,y,z |
1_555 |
22 |
1 |
866 |
63.6 |
-10.0 |
0.970 |
0 |
0 |
0 |
0.078 |
Average: |
64.3 |
-10.0 |
0.969 |
0 |
0 |
0 |
0.078 |
20 |
25 |
|
[SO4]A:621 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20804 |
54.9 |
-7.7 |
0.613 |
0 |
0 |
0 |
0.030 |
21 |
26 |
|
[GOL]B:611 |
5 |
1 |
219 |
f |
[HEC]B:601 |
x,y,z |
1_555 |
2 |
1 |
822 |
40.5 |
-1.0 |
0.445 |
0 |
0 |
0 |
0.008 |
27 |
|
[GOL]A:611 |
5 |
1 |
220 |
f |
[HEC]A:601 |
x,y,z |
1_555 |
3 |
1 |
819 |
39.0 |
-1.0 |
0.520 |
0 |
0 |
0 |
0.008 |
Average: |
39.8 |
-1.0 |
0.483 |
0 |
0 |
0 |
0.008 |
22 |
28 |
|
[GOL]A:612 |
4 |
1 |
218 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
20804 |
39.7 |
0.1 |
0.420 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
B |
3 |
1 |
20804 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
20685 |
33.8 |
0.3 |
0.704 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
A |
2 |
1 |
20685 |
◊ |
[SO4]B:621 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
187 |
13.5 |
-1.6 |
0.776 |
0 |
0 |
0 |
0.000 |
|