## |
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 |
66 |
22 |
8426 |
◊ |
D |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
66 |
22 |
8554 |
642.2 |
4.5 |
0.928 |
12 |
9 |
0 |
0.001 |
2 |
|
C |
64 |
22 |
8556 |
◊ |
B |
x,y,z |
1_555 |
69 |
23 |
8319 |
625.5 |
3.9 |
0.925 |
14 |
8 |
0 |
0.001 |
3 |
|
F |
66 |
23 |
8426 |
◊ |
E |
x,y,z |
1_555 |
64 |
21 |
8366 |
612.5 |
6.0 |
0.964 |
13 |
9 |
0 |
0.001 |
Average: |
626.7 |
4.8 |
0.939 |
13 |
9 |
0 |
0.001 |
2 |
4 |
|
D |
68 |
19 |
8554 |
◊ |
C |
x,y,z |
1_555 |
64 |
18 |
8556 |
595.5 |
-6.9 |
0.273 |
10 |
1 |
0 |
0.037 |
3 |
5 |
|
A |
47 |
16 |
8426 |
◊ |
E |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
72 |
20 |
8366 |
507.3 |
-6.2 |
0.231 |
4 |
0 |
0 |
0.120 |
6 |
|
B |
44 |
16 |
8319 |
◊ |
F |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
62 |
19 |
8426 |
498.9 |
-6.5 |
0.180 |
3 |
0 |
0 |
0.120 |
Average: |
503.1 |
-6.4 |
0.205 |
4 |
0 |
0 |
0.120 |
4 |
7 |
|
F |
49 |
12 |
8426 |
◊ |
A |
-x,-y,z |
2_555 |
44 |
11 |
8426 |
435.4 |
-2.1 |
0.500 |
5 |
0 |
0 |
0.063 |
8 |
|
E |
46 |
13 |
8366 |
◊ |
B |
x,y,z |
1_555 |
46 |
11 |
8319 |
397.7 |
-2.4 |
0.476 |
6 |
0 |
0 |
0.063 |
Average: |
416.5 |
-2.2 |
0.488 |
6 |
0 |
0 |
0.063 |
5 |
9 |
|
B |
40 |
13 |
8319 |
◊ |
A |
x,y,z |
1_555 |
49 |
17 |
8426 |
312.8 |
2.5 |
0.874 |
3 |
1 |
0 |
0.000 |
6 |
10 |
|
C |
29 |
10 |
8556 |
◊ |
C |
-x,y,-z-1 |
3_554 |
28 |
10 |
8556 |
231.6 |
-2.6 |
0.412 |
0 |
2 |
0 |
0.000 |
7 |
11 |
|
F |
28 |
10 |
8426 |
◊ |
E |
-x+1,-y,z |
2_655 |
26 |
11 |
8366 |
210.3 |
1.0 |
0.784 |
2 |
1 |
0 |
0.000 |
8 |
12 |
|
D |
19 |
6 |
8554 |
◊ |
E |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
15 |
7 |
8366 |
199.4 |
-4.2 |
0.084 |
0 |
0 |
0 |
0.000 |
13 |
|
F |
13 |
7 |
8426 |
◊ |
C |
x,-y,-z-1 |
4_554 |
15 |
6 |
8556 |
153.5 |
-2.8 |
0.164 |
1 |
0 |
0 |
0.000 |
Average: |
176.4 |
-3.5 |
0.124 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
D |
21 |
6 |
8554 |
◊ |
B |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
21 |
6 |
8319 |
171.8 |
-2.6 |
0.285 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[SO4]C:201 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
8556 |
120.1 |
-19.5 |
0.524 |
0 |
0 |
0 |
0.100 |
11 |
16 |
|
C |
12 |
4 |
8556 |
◊ |
A |
-x,y,-z-1 |
3_554 |
14 |
4 |
8426 |
119.4 |
-1.7 |
0.332 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]F:204 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
19 |
12 |
8426 |
116.0 |
-18.4 |
0.564 |
2 |
0 |
0 |
0.161 |
13 |
18 |
|
[SO4]A:203 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8426 |
100.7 |
-15.3 |
0.477 |
0 |
0 |
0 |
0.230 |
14 |
19 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8426 |
89.3 |
-13.4 |
0.613 |
1 |
0 |
0 |
0.208 |
15 |
20 |
|
[SO4]F:205 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
8426 |
85.1 |
-11.4 |
0.793 |
1 |
0 |
0 |
0.099 |
16 |
21 |
|
[SO4]F:202 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
8426 |
84.6 |
-12.7 |
0.711 |
2 |
0 |
0 |
0.114 |
17 |
22 |
|
[SO4]B:203 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8319 |
84.4 |
-12.6 |
0.628 |
2 |
0 |
0 |
0.168 |
18 |
23 |
|
[SO4]B:204 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8319 |
84.3 |
-12.2 |
0.714 |
4 |
0 |
0 |
0.174 |
19 |
24 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8319 |
84.2 |
-12.5 |
0.679 |
2 |
0 |
0 |
0.166 |
20 |
25 |
|
D |
7 |
2 |
8554 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
8319 |
81.1 |
-0.2 |
0.590 |
1 |
1 |
0 |
0.000 |
26 |
|
A |
12 |
5 |
8426 |
◊ |
C |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
8 |
2 |
8556 |
78.9 |
-0.4 |
0.559 |
0 |
1 |
0 |
0.000 |
Average: |
80.0 |
-0.3 |
0.574 |
1 |
1 |
0 |
0.000 |
21 |
27 |
|
[SO4]B:202 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
8366 |
79.8 |
-11.5 |
0.586 |
0 |
0 |
0 |
0.342 |
22 |
28 |
|
[SO4]B:202 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
8319 |
77.8 |
-11.0 |
0.623 |
0 |
0 |
0 |
0.137 |
23 |
29 |
|
[SO4]F:205 |
5 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
8366 |
74.8 |
-10.0 |
0.709 |
1 |
0 |
0 |
0.014 |
24 |
30 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8426 |
72.9 |
-10.6 |
0.806 |
4 |
0 |
0 |
0.186 |
25 |
31 |
|
B |
11 |
4 |
8319 |
f |
[SO4]F:201 |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
4 |
1 |
186 |
72.7 |
-10.8 |
0.776 |
3 |
0 |
0 |
0.151 |
26 |
32 |
|
[SO4]E:201 |
4 |
1 |
187 |
f |
[SO4]E:201 |
-x+1,-y,z |
2_655 |
4 |
1 |
187 |
66.3 |
-14.3 |
0.973 |
0 |
0 |
0 |
0.213 |
27 |
33 |
|
[SO4]F:203 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
8426 |
61.6 |
-8.6 |
0.734 |
2 |
0 |
0 |
0.079 |
28 |
34 |
|
[SO4]E:201 |
4 |
1 |
187 |
◊ |
E |
-x+1,-y,z |
2_655 |
9 |
4 |
8366 |
53.7 |
-7.1 |
0.713 |
1 |
0 |
0 |
0.224 |
29 |
35 |
|
[SO4]E:201 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
8366 |
48.6 |
-6.5 |
0.616 |
2 |
0 |
0 |
0.221 |
30 |
36 |
|
[SO4]B:204 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
8426 |
48.5 |
-6.3 |
0.736 |
2 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]A:201 |
4 |
1 |
186 |
◊ |
E |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
9 |
3 |
8366 |
43.5 |
-5.6 |
0.687 |
0 |
0 |
0 |
0.084 |
32 |
38 |
|
D |
8 |
5 |
8554 |
◊ |
D |
-x+1,y,-z-1 |
3_654 |
8 |
5 |
8554 |
37.5 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO4]F:201 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
8426 |
32.4 |
-4.5 |
0.668 |
0 |
0 |
0 |
0.038 |
34 |
40 |
|
F |
5 |
3 |
8426 |
◊ |
F |
-x+1,-y,z |
2_655 |
5 |
3 |
8426 |
23.3 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
C |
2 |
1 |
8556 |
◊ |
E |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
1 |
1 |
8366 |
16.2 |
0.7 |
0.904 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
A |
2 |
2 |
8426 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
2 |
2 |
8319 |
14.3 |
0.8 |
0.895 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[SO4]B:201 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8426 |
10.7 |
-1.3 |
0.715 |
0 |
0 |
0 |
0.000 |
|