## |
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 |
72 |
23 |
10265 |
x |
B |
-x-1/2,y-1/2,-z |
4_445 |
63 |
24 |
10265 |
612.3 |
0.0 |
0.621 |
5 |
4 |
0 |
0.000 |
2 |
|
A |
64 |
21 |
10144 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
55 |
20 |
10144 |
551.7 |
0.4 |
0.648 |
7 |
4 |
0 |
0.000 |
Average: |
582.0 |
0.2 |
0.635 |
6 |
4 |
0 |
0.000 |
2 |
3 |
|
[VEA]B:912 |
41 |
1 |
806 |
f |
B |
x,y,z |
1_555 |
68 |
21 |
10265 |
492.0 |
-12.2 |
0.423 |
3 |
0 |
0 |
0.021 |
4 |
|
[VEA]A:911 |
41 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
66 |
22 |
10144 |
468.7 |
-13.3 |
0.303 |
3 |
0 |
0 |
0.021 |
Average: |
480.3 |
-12.8 |
0.363 |
3 |
0 |
0 |
0.021 |
3 |
5 |
|
B |
40 |
13 |
10265 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
37 |
12 |
10144 |
395.5 |
-0.6 |
0.529 |
6 |
4 |
0 |
0.000 |
4 |
6 |
|
A |
49 |
13 |
10144 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
49 |
14 |
10265 |
386.6 |
1.0 |
0.691 |
5 |
7 |
0 |
0.000 |
5 |
7 |
|
B |
47 |
14 |
10265 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
10144 |
367.3 |
-1.7 |
0.426 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
34 |
10 |
10144 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
22 |
8 |
10265 |
255.3 |
-1.2 |
0.422 |
6 |
5 |
0 |
0.000 |
7 |
9 |
|
B |
27 |
9 |
10265 |
◊ |
A |
x-1,y,z-1 |
1_454 |
27 |
10 |
10144 |
215.4 |
-0.3 |
0.515 |
3 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
23 |
7 |
10265 |
◊ |
[SUC]B:216 |
-x-1/2,y-1/2,-z |
4_445 |
15 |
1 |
447 |
174.6 |
2.1 |
0.580 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
21 |
7 |
10144 |
◊ |
[SUC]A:216 |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
1 |
447 |
157.6 |
1.5 |
0.476 |
1 |
0 |
0 |
0.000 |
Average: |
166.1 |
1.8 |
0.528 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[SUC]B:216 |
15 |
1 |
447 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
10265 |
155.6 |
1.7 |
0.514 |
4 |
0 |
0 |
0.000 |
13 |
|
[SUC]A:216 |
13 |
1 |
447 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
10144 |
145.7 |
1.2 |
0.464 |
3 |
0 |
0 |
0.000 |
Average: |
150.7 |
1.5 |
0.489 |
4 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
21 |
6 |
10144 |
◊ |
[VEA]A:911 |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
1 |
803 |
132.0 |
-0.3 |
0.659 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
21 |
5 |
10265 |
◊ |
[VEA]B:912 |
-x-1/2,y-1/2,-z |
4_445 |
9 |
1 |
806 |
114.0 |
-0.5 |
0.608 |
1 |
0 |
0 |
0.000 |
Average: |
123.0 |
-0.4 |
0.634 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
B |
14 |
6 |
10265 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
4 |
10144 |
109.5 |
-0.5 |
0.492 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]A:222 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
10144 |
102.0 |
-17.1 |
0.702 |
4 |
0 |
0 |
0.022 |
13 |
18 |
|
[SO4]B:218 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
10265 |
93.2 |
-11.8 |
0.849 |
2 |
0 |
0 |
0.019 |
14 |
19 |
|
[SO4]A:218 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10144 |
85.6 |
-11.5 |
0.843 |
5 |
0 |
0 |
0.016 |
15 |
20 |
|
[SO4]A:221 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10144 |
84.2 |
-11.4 |
0.596 |
3 |
0 |
0 |
0.015 |
16 |
21 |
|
[SO4]B:221 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
10265 |
81.4 |
-12.2 |
0.662 |
3 |
0 |
0 |
0.021 |
17 |
22 |
|
[SO4]A:220 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10144 |
80.3 |
-12.2 |
0.661 |
3 |
0 |
0 |
0.016 |
18 |
23 |
|
[SO4]A:219 |
5 |
1 |
185 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
5 |
10144 |
80.1 |
-10.3 |
0.885 |
4 |
0 |
0 |
0.000 |
19 |
24 |
|
[SO4]B:220 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
10265 |
78.5 |
-9.1 |
0.920 |
3 |
0 |
0 |
0.016 |
20 |
25 |
|
[AZI]B:217 |
3 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10265 |
72.7 |
0.6 |
0.480 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[AZI]A:217 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10144 |
72.4 |
0.6 |
0.588 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[SO4]B:219 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
10265 |
69.9 |
-9.0 |
0.859 |
2 |
0 |
0 |
0.015 |
23 |
28 |
|
[VEA]A:911 |
12 |
1 |
803 |
f |
[SUC]A:216 |
x,y,z |
1_555 |
5 |
1 |
447 |
62.5 |
-0.7 |
0.377 |
0 |
0 |
0 |
0.000 |
29 |
|
[VEA]B:912 |
14 |
1 |
806 |
f |
[SUC]B:216 |
x,y,z |
1_555 |
5 |
1 |
447 |
62.2 |
-0.5 |
0.415 |
0 |
0 |
0 |
0.000 |
Average: |
62.3 |
-0.6 |
0.396 |
0 |
0 |
0 |
0.001 |
24 |
30 |
|
[SO4]B:218 |
4 |
1 |
186 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
10 |
4 |
10265 |
57.6 |
-7.0 |
0.665 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[AZI]B:217 |
3 |
1 |
160 |
cf |
[VEA]B:912 |
x,y,z |
1_555 |
19 |
1 |
806 |
54.8 |
-0.4 |
0.615 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[AZI]A:217 |
3 |
1 |
159 |
f |
[VEA]A:911 |
x,y,z |
1_555 |
21 |
1 |
803 |
52.9 |
-0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[SO4]A:219 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10144 |
48.1 |
-5.2 |
0.878 |
2 |
0 |
0 |
0.007 |
28 |
34 |
|
A |
8 |
2 |
10144 |
f |
[SO4]B:222 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
185 |
47.6 |
-6.6 |
0.674 |
0 |
0 |
0 |
0.008 |
29 |
35 |
|
B |
8 |
4 |
10265 |
◊ |
[SO4]B:220 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
185 |
47.5 |
-5.5 |
0.884 |
2 |
0 |
0 |
0.000 |
30 |
36 |
|
[SO4]A:218 |
5 |
1 |
185 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
3 |
10144 |
47.2 |
-5.3 |
0.826 |
1 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]B:222 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10265 |
46.2 |
-4.1 |
0.974 |
2 |
0 |
0 |
0.000 |
32 |
38 |
|
B |
8 |
3 |
10265 |
◊ |
A |
-x,y,-z+1 |
2_556 |
5 |
3 |
10144 |
43.1 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO4]B:220 |
4 |
1 |
185 |
f |
[VEA]B:912 |
x,y,z |
1_555 |
5 |
1 |
806 |
37.9 |
-5.3 |
0.771 |
0 |
0 |
0 |
0.008 |
34 |
40 |
|
[SO4]A:219 |
4 |
1 |
185 |
◊ |
[VEA]A:911 |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
803 |
34.0 |
-4.8 |
0.778 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
B |
3 |
1 |
10265 |
◊ |
[SO4]A:220 |
x-1/2,y+1/2,z-1 |
3_454 |
3 |
1 |
186 |
24.8 |
-3.3 |
0.463 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
B |
1 |
1 |
10265 |
◊ |
[SO4]B:222 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
185 |
20.7 |
-2.3 |
0.835 |
1 |
0 |
0 |
0.000 |
37 |
43 |
|
[SO4]A:218 |
4 |
1 |
185 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
10265 |
12.4 |
-1.0 |
0.844 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
B |
2 |
1 |
10265 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
2 |
1 |
10144 |
10.6 |
-0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[SO4]B:218 |
3 |
1 |
186 |
◊ |
[SUC]B:216 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
447 |
9.2 |
-1.0 |
0.520 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[SO4]A:218 |
3 |
1 |
185 |
◊ |
[SUC]A:216 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
447 |
8.2 |
-1.2 |
0.532 |
0 |
0 |
0 |
0.000 |
|