## |
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 |
168 |
43 |
12796 |
◊ |
A |
x,y,z |
1_555 |
168 |
43 |
12860 |
1799.7 |
-33.1 |
0.001 |
12 |
4 |
0 |
0.407 |
2 |
2 |
|
D |
99 |
26 |
6539 |
◊ |
A |
x,y,z |
1_555 |
99 |
24 |
12860 |
943.6 |
-13.6 |
0.052 |
8 |
1 |
0 |
0.189 |
3 |
|
C |
95 |
26 |
6414 |
◊ |
B |
x,y,z |
1_555 |
104 |
24 |
12796 |
940.7 |
-14.0 |
0.058 |
7 |
1 |
0 |
0.189 |
Average: |
942.1 |
-13.8 |
0.055 |
8 |
1 |
0 |
0.189 |
3 |
4 |
|
B |
53 |
14 |
12796 |
◊ |
C |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
49 |
13 |
6414 |
464.0 |
-3.0 |
0.527 |
4 |
3 |
0 |
0.052 |
5 |
|
D |
47 |
14 |
6539 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
51 |
13 |
12860 |
460.5 |
-3.2 |
0.433 |
2 |
3 |
0 |
0.052 |
Average: |
462.2 |
-3.1 |
0.480 |
3 |
3 |
0 |
0.052 |
4 |
6 |
|
[ADP]A:501 |
27 |
1 |
527 |
f |
A |
x,y,z |
1_555 |
70 |
24 |
12860 |
386.0 |
-6.2 |
0.537 |
16 |
0 |
0 |
0.273 |
7 |
|
[ADP]B:501 |
27 |
1 |
525 |
f |
B |
x,y,z |
1_555 |
67 |
24 |
12796 |
385.7 |
-6.2 |
0.551 |
15 |
0 |
0 |
0.273 |
Average: |
385.9 |
-6.2 |
0.544 |
16 |
0 |
0 |
0.273 |
5 |
8 |
|
B |
37 |
12 |
12796 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
38 |
10 |
12860 |
326.9 |
3.3 |
0.908 |
3 |
2 |
0 |
0.000 |
9 |
|
B |
31 |
10 |
12796 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
36 |
14 |
12860 |
291.6 |
1.8 |
0.827 |
4 |
5 |
0 |
0.000 |
Average: |
309.3 |
2.5 |
0.868 |
4 |
4 |
0 |
0.000 |
6 |
10 |
|
C |
24 |
7 |
6414 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
12860 |
235.1 |
1.3 |
0.760 |
3 |
2 |
0 |
0.003 |
11 |
|
D |
25 |
9 |
6539 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
12796 |
205.0 |
0.7 |
0.713 |
2 |
2 |
0 |
0.003 |
Average: |
220.1 |
1.0 |
0.737 |
3 |
2 |
0 |
0.003 |
7 |
12 |
|
B |
23 |
6 |
12796 |
◊ |
D |
x-1,y,z |
1_455 |
26 |
8 |
6539 |
209.4 |
-1.1 |
0.542 |
1 |
1 |
0 |
0.000 |
13 |
|
C |
25 |
8 |
6414 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
6 |
12860 |
203.6 |
-2.0 |
0.417 |
1 |
0 |
0 |
0.000 |
Average: |
206.5 |
-1.5 |
0.480 |
1 |
1 |
0 |
0.000 |
8 |
14 |
|
B |
24 |
7 |
12796 |
◊ |
A |
-x,y,-z+1 |
2_556 |
22 |
7 |
12860 |
194.7 |
-2.7 |
0.324 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
6414 |
112.9 |
-18.6 |
0.689 |
5 |
0 |
0 |
0.204 |
10 |
16 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
6539 |
111.4 |
-19.0 |
0.653 |
4 |
0 |
0 |
0.227 |
11 |
17 |
|
B |
13 |
4 |
12796 |
◊ |
B |
-x,y,-z+1 |
2_556 |
13 |
4 |
12796 |
110.7 |
-2.2 |
0.266 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
6414 |
96.0 |
-13.2 |
0.811 |
2 |
0 |
0 |
0.138 |
13 |
19 |
|
A |
10 |
5 |
12860 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
16 |
8 |
12860 |
95.2 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
9 |
3 |
12796 |
x |
B |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
5 |
2 |
12796 |
52.5 |
-0.7 |
0.446 |
0 |
0 |
0 |
0.000 |
Average: |
73.8 |
-0.5 |
0.515 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[SO4]D:203 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
6539 |
87.3 |
-12.8 |
0.718 |
2 |
0 |
0 |
0.150 |
15 |
22 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6414 |
72.9 |
-10.7 |
0.686 |
5 |
0 |
0 |
0.127 |
16 |
23 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
6539 |
71.1 |
-10.4 |
0.652 |
3 |
0 |
0 |
0.128 |
17 |
24 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12796 |
65.4 |
-6.8 |
0.864 |
2 |
0 |
0 |
0.081 |
18 |
25 |
|
[SO4]B:503 |
4 |
1 |
187 |
f |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
10 |
4 |
12860 |
60.2 |
-8.4 |
0.888 |
2 |
0 |
0 |
0.101 |
19 |
26 |
|
B |
10 |
4 |
12796 |
f |
[SO4]C:204 |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
4 |
1 |
188 |
59.5 |
-8.3 |
0.891 |
3 |
0 |
0 |
0.100 |
20 |
27 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6414 |
50.9 |
-6.7 |
0.761 |
0 |
0 |
0 |
0.065 |
21 |
28 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12860 |
50.9 |
-5.8 |
0.756 |
0 |
0 |
0 |
0.022 |
22 |
29 |
|
[SO4]A:502 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
6539 |
44.4 |
-5.6 |
0.730 |
0 |
0 |
0 |
0.022 |
23 |
30 |
|
[SO4]D:202 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12860 |
42.3 |
-5.4 |
0.751 |
0 |
0 |
0 |
0.059 |
24 |
31 |
|
[SO4]A:502 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12860 |
38.7 |
-4.1 |
0.742 |
0 |
0 |
0 |
0.043 |
25 |
32 |
|
[SO4]B:502 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12796 |
37.8 |
-3.5 |
0.883 |
1 |
0 |
0 |
0.036 |
26 |
33 |
|
[SO4]C:202 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
12796 |
36.3 |
-4.1 |
0.754 |
0 |
0 |
0 |
0.038 |
27 |
34 |
|
[SO4]B:503 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12796 |
32.1 |
-3.0 |
0.961 |
2 |
0 |
0 |
0.000 |
28 |
35 |
|
[SO4]C:204 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
6414 |
29.4 |
-3.9 |
0.871 |
1 |
0 |
0 |
0.043 |
29 |
36 |
|
[SO4]C:204 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12860 |
26.0 |
-2.5 |
0.958 |
1 |
0 |
0 |
0.000 |
30 |
37 |
|
[SO4]B:503 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
6539 |
25.1 |
-3.4 |
0.615 |
0 |
0 |
0 |
0.015 |
31 |
38 |
|
B |
3 |
2 |
12796 |
◊ |
[SO4]B:502 |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
4 |
1 |
186 |
25.1 |
-1.7 |
0.981 |
1 |
0 |
0 |
0.021 |
32 |
39 |
|
[SO4]A:502 |
3 |
1 |
186 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
2 |
2 |
12860 |
24.8 |
-1.7 |
0.986 |
1 |
0 |
0 |
0.000 |
33 |
40 |
|
[SO4]C:204 |
4 |
1 |
188 |
◊ |
[SO4]B:502 |
x,y,z |
1_555 |
3 |
1 |
186 |
24.7 |
-5.5 |
0.995 |
0 |
0 |
0 |
0.054 |
34 |
41 |
|
[SO4]B:503 |
3 |
1 |
187 |
◊ |
[SO4]A:502 |
x,y,z |
1_555 |
3 |
1 |
186 |
21.7 |
-5.1 |
0.992 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[SO4]C:204 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12796 |
20.6 |
-2.0 |
0.859 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[SO4]B:503 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12860 |
10.5 |
-1.4 |
0.649 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[SO4]C:201 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12796 |
0.9 |
-0.1 |
0.848 |
0 |
0 |
0 |
0.000 |
|