## |
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 |
167 |
44 |
12771 |
◊ |
A |
x,y,z |
1_555 |
173 |
45 |
12665 |
1830.9 |
-30.3 |
0.002 |
13 |
5 |
0 |
0.323 |
2 |
2 |
|
D |
99 |
26 |
6114 |
◊ |
B |
x,y,z |
1_555 |
105 |
24 |
12771 |
925.6 |
-12.9 |
0.094 |
8 |
1 |
0 |
0.159 |
3 |
|
C |
94 |
25 |
6526 |
◊ |
A |
x,y,z |
1_555 |
106 |
25 |
12665 |
911.5 |
-13.8 |
0.031 |
8 |
2 |
0 |
0.159 |
Average: |
918.6 |
-13.3 |
0.063 |
8 |
2 |
0 |
0.159 |
3 |
4 |
|
A |
53 |
15 |
12665 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
47 |
13 |
6526 |
480.3 |
-1.8 |
0.544 |
4 |
3 |
0 |
0.000 |
5 |
|
D |
49 |
14 |
6114 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
52 |
13 |
12771 |
476.8 |
-2.4 |
0.564 |
2 |
3 |
0 |
0.000 |
Average: |
478.5 |
-2.1 |
0.554 |
3 |
3 |
0 |
0.000 |
4 |
6 |
|
[ADP]B:501 |
27 |
1 |
524 |
f |
B |
x,y,z |
1_555 |
71 |
24 |
12771 |
387.4 |
-6.0 |
0.547 |
13 |
0 |
0 |
0.208 |
7 |
|
[ADP]A:501 |
27 |
1 |
525 |
f |
A |
x,y,z |
1_555 |
69 |
23 |
12665 |
386.7 |
-6.1 |
0.539 |
13 |
0 |
0 |
0.208 |
Average: |
387.1 |
-6.1 |
0.543 |
13 |
0 |
0 |
0.208 |
5 |
8 |
|
A |
34 |
9 |
12665 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
33 |
13 |
12771 |
291.1 |
3.5 |
0.925 |
4 |
2 |
0 |
0.000 |
9 |
|
A |
28 |
12 |
12665 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
33 |
9 |
12771 |
260.0 |
2.7 |
0.889 |
3 |
2 |
0 |
0.000 |
Average: |
275.5 |
3.1 |
0.907 |
4 |
2 |
0 |
0.000 |
6 |
10 |
|
C |
24 |
7 |
6526 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
12771 |
242.8 |
0.9 |
0.661 |
2 |
0 |
0 |
0.002 |
11 |
|
D |
22 |
8 |
6114 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
12665 |
198.0 |
-0.5 |
0.530 |
0 |
0 |
0 |
0.002 |
Average: |
220.4 |
0.2 |
0.595 |
1 |
0 |
0 |
0.002 |
7 |
12 |
|
B |
21 |
6 |
12771 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
9 |
6526 |
225.0 |
-2.8 |
0.285 |
1 |
0 |
0 |
0.000 |
13 |
|
D |
31 |
9 |
6114 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
5 |
12665 |
202.0 |
-1.9 |
0.462 |
2 |
2 |
0 |
0.000 |
Average: |
213.5 |
-2.4 |
0.373 |
2 |
1 |
0 |
0.000 |
8 |
14 |
|
B |
23 |
8 |
12771 |
◊ |
A |
-x,y,-z |
2_555 |
22 |
6 |
12665 |
199.7 |
-2.7 |
0.318 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
6526 |
112.3 |
-18.8 |
0.670 |
5 |
0 |
0 |
0.190 |
10 |
16 |
|
[SO4]D:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
6114 |
111.9 |
-18.5 |
0.711 |
6 |
0 |
0 |
0.193 |
11 |
17 |
|
A |
10 |
4 |
12665 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
4 |
12665 |
110.8 |
-2.2 |
0.181 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[SO4]C:203 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
6526 |
91.6 |
-13.3 |
0.833 |
2 |
0 |
0 |
0.128 |
13 |
19 |
|
[SO4]D:203 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
6114 |
89.2 |
-12.7 |
0.849 |
2 |
0 |
0 |
0.123 |
14 |
20 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
6114 |
71.9 |
-10.8 |
0.700 |
4 |
0 |
0 |
0.114 |
15 |
21 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6526 |
71.5 |
-10.7 |
0.657 |
4 |
0 |
0 |
0.113 |
16 |
22 |
|
[SO4]A:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12771 |
63.9 |
-7.0 |
0.891 |
3 |
0 |
0 |
0.076 |
17 |
23 |
|
A |
10 |
4 |
12665 |
f |
[SO4]C:204 |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
5 |
1 |
187 |
61.1 |
-8.3 |
0.869 |
2 |
0 |
0 |
0.083 |
18 |
24 |
|
[SO4]D:204 |
4 |
1 |
187 |
f |
B |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
11 |
4 |
12771 |
61.0 |
-8.6 |
0.785 |
1 |
0 |
0 |
0.083 |
19 |
25 |
|
[SO4]A:503 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12665 |
60.1 |
-7.2 |
0.862 |
3 |
0 |
0 |
0.077 |
20 |
26 |
|
[SO4]A:502 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12665 |
51.9 |
-5.6 |
0.951 |
0 |
0 |
0 |
0.051 |
21 |
27 |
|
[SO4]B:502 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12771 |
49.1 |
-5.9 |
0.934 |
1 |
0 |
0 |
0.058 |
22 |
28 |
|
[SO4]A:503 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
6114 |
47.5 |
-5.6 |
0.867 |
1 |
0 |
0 |
0.021 |
23 |
29 |
|
[SO4]A:504 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
6526 |
46.8 |
-5.4 |
0.830 |
1 |
0 |
0 |
0.020 |
24 |
30 |
|
[SO4]B:502 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6114 |
43.9 |
-5.5 |
0.781 |
1 |
0 |
0 |
0.054 |
25 |
31 |
|
[SO4]A:502 |
3 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6526 |
41.9 |
-5.6 |
0.719 |
1 |
0 |
0 |
0.055 |
26 |
32 |
|
[SO4]A:503 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12771 |
40.8 |
-4.3 |
0.666 |
0 |
0 |
0 |
0.037 |
27 |
33 |
|
[SO4]A:502 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12771 |
39.6 |
-4.5 |
0.873 |
2 |
0 |
0 |
0.019 |
28 |
34 |
|
[SO4]A:504 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12665 |
38.9 |
-3.9 |
0.787 |
0 |
0 |
0 |
0.034 |
29 |
35 |
|
[SO4]D:202 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12771 |
36.6 |
-4.4 |
0.680 |
0 |
0 |
0 |
0.040 |
30 |
36 |
|
[SO4]C:202 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12665 |
35.1 |
-4.2 |
0.689 |
0 |
0 |
0 |
0.038 |
31 |
37 |
|
[SO4]B:502 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12665 |
33.2 |
-3.6 |
0.878 |
1 |
0 |
0 |
0.036 |
32 |
38 |
|
[SO4]D:204 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
6114 |
27.7 |
-2.1 |
0.975 |
1 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO4]C:204 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6526 |
25.6 |
-2.0 |
0.989 |
2 |
0 |
0 |
0.000 |
34 |
40 |
|
[SO4]C:204 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12771 |
24.4 |
-2.1 |
0.925 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
A |
3 |
2 |
12665 |
◊ |
[SO4]A:504 |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
3 |
1 |
187 |
22.7 |
-1.5 |
0.973 |
1 |
0 |
0 |
0.000 |
36 |
42 |
|
[SO4]C:204 |
3 |
1 |
187 |
◊ |
[SO4]A:504 |
x,y,z |
1_555 |
3 |
1 |
187 |
20.3 |
-4.6 |
0.992 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[SO4]A:503 |
3 |
1 |
187 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
4 |
2 |
12771 |
20.2 |
-1.7 |
0.918 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[SO4]D:204 |
3 |
1 |
187 |
◊ |
[SO4]A:503 |
x,y,z |
1_555 |
3 |
1 |
187 |
18.0 |
-4.1 |
0.992 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
B |
3 |
3 |
12771 |
x |
B |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
4 |
4 |
12771 |
15.3 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
1 |
1 |
12665 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
12665 |
2.7 |
-0.1 |
0.414 |
0 |
0 |
0 |
0.000 |
Average: |
9.0 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[SO4]D:204 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12665 |
7.8 |
-1.0 |
0.691 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
B |
1 |
1 |
12771 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
12665 |
4.1 |
0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[SO4]C:204 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12665 |
1.8 |
-0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[SO4]D:201 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12771 |
1.3 |
-0.1 |
0.854 |
0 |
0 |
0 |
0.001 |
|