## |
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 |
180 |
44 |
13407 |
◊ |
A |
x,y,z |
1_555 |
176 |
44 |
13533 |
1861.1 |
-28.9 |
0.003 |
17 |
6 |
0 |
0.226 |
2 |
2 |
|
C |
91 |
26 |
6629 |
◊ |
A |
x,y,z |
1_555 |
104 |
26 |
13533 |
893.1 |
-14.1 |
0.017 |
6 |
2 |
0 |
0.112 |
3 |
|
D |
92 |
26 |
6561 |
◊ |
B |
x,y,z |
1_555 |
101 |
25 |
13407 |
876.7 |
-13.6 |
0.027 |
7 |
2 |
0 |
0.112 |
Average: |
884.9 |
-13.9 |
0.022 |
7 |
2 |
0 |
0.112 |
3 |
4 |
|
C |
49 |
13 |
6629 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
53 |
14 |
13533 |
488.7 |
-1.9 |
0.425 |
2 |
2 |
0 |
0.004 |
5 |
|
B |
51 |
14 |
13407 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
52 |
14 |
6561 |
458.7 |
-3.8 |
0.301 |
2 |
3 |
0 |
0.004 |
Average: |
473.7 |
-2.9 |
0.363 |
2 |
3 |
0 |
0.004 |
4 |
6 |
|
[ADP]B:501 |
27 |
1 |
525 |
f |
B |
x,y,z |
1_555 |
69 |
24 |
13407 |
386.6 |
-6.1 |
0.523 |
14 |
0 |
0 |
0.146 |
7 |
|
[ADP]A:501 |
27 |
1 |
522 |
f |
A |
x,y,z |
1_555 |
68 |
24 |
13533 |
384.1 |
-6.0 |
0.504 |
13 |
0 |
0 |
0.146 |
Average: |
385.4 |
-6.1 |
0.514 |
14 |
0 |
0 |
0.146 |
5 |
8 |
|
B |
39 |
14 |
13407 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
40 |
9 |
13533 |
335.1 |
3.7 |
0.890 |
6 |
4 |
0 |
0.000 |
9 |
|
B |
45 |
10 |
13407 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
34 |
14 |
13533 |
300.3 |
3.2 |
0.845 |
3 |
2 |
0 |
0.000 |
Average: |
317.7 |
3.5 |
0.867 |
5 |
3 |
0 |
0.000 |
6 |
10 |
|
C |
28 |
7 |
6629 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
13407 |
261.3 |
0.4 |
0.578 |
4 |
5 |
0 |
0.009 |
11 |
|
D |
21 |
5 |
6561 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
13533 |
233.4 |
0.9 |
0.660 |
4 |
3 |
0 |
0.009 |
Average: |
247.3 |
0.6 |
0.619 |
4 |
4 |
0 |
0.009 |
7 |
12 |
|
A |
25 |
7 |
13533 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
10 |
6561 |
227.0 |
-1.7 |
0.423 |
1 |
1 |
0 |
0.000 |
13 |
|
C |
26 |
9 |
6629 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
5 |
13407 |
214.7 |
-1.8 |
0.391 |
1 |
0 |
0 |
0.000 |
Average: |
220.8 |
-1.8 |
0.407 |
1 |
1 |
0 |
0.000 |
8 |
14 |
|
B |
24 |
7 |
13407 |
◊ |
A |
-x,y,-z |
2_555 |
22 |
7 |
13533 |
196.8 |
-2.5 |
0.315 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[SO4]D:204 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
6561 |
111.2 |
-18.3 |
0.673 |
5 |
0 |
0 |
0.135 |
10 |
16 |
|
B |
11 |
4 |
13407 |
◊ |
B |
-x,y,-z |
2_555 |
11 |
4 |
13407 |
110.2 |
-2.2 |
0.208 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
6629 |
109.4 |
-18.0 |
0.660 |
6 |
0 |
0 |
0.130 |
12 |
18 |
|
[SO4]C:204 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
6629 |
101.4 |
-14.2 |
0.789 |
3 |
0 |
0 |
0.098 |
13 |
19 |
|
[SO4]D:205 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
6561 |
95.4 |
-12.6 |
0.847 |
3 |
0 |
0 |
0.092 |
14 |
20 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
13407 |
94.2 |
-13.0 |
0.758 |
1 |
0 |
0 |
0.088 |
15 |
21 |
|
[SO4]B:503 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
13407 |
92.9 |
-12.3 |
0.785 |
2 |
0 |
0 |
0.086 |
16 |
22 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13533 |
87.5 |
-12.0 |
0.789 |
2 |
0 |
0 |
0.081 |
17 |
23 |
|
[SO4]A:505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13533 |
84.7 |
-11.1 |
0.807 |
2 |
0 |
0 |
0.075 |
18 |
24 |
|
[SO4]D:206 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6561 |
77.0 |
-11.3 |
0.705 |
2 |
0 |
0 |
0.080 |
19 |
25 |
|
[SO4]C:206 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
6629 |
75.0 |
-10.3 |
0.833 |
1 |
0 |
0 |
0.068 |
20 |
26 |
|
[SO4]C:203 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6629 |
73.5 |
-11.0 |
0.651 |
4 |
0 |
0 |
0.080 |
21 |
27 |
|
[SO4]C:205 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
6629 |
72.4 |
-8.8 |
0.866 |
2 |
0 |
0 |
0.061 |
22 |
28 |
|
[SO4]D:203 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
6561 |
70.9 |
-10.5 |
0.640 |
4 |
0 |
0 |
0.081 |
23 |
29 |
|
[SO4]D:201 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
6561 |
69.0 |
-10.0 |
0.673 |
4 |
0 |
0 |
0.077 |
24 |
30 |
|
[SO4]A:504 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13533 |
65.5 |
-9.3 |
0.723 |
4 |
0 |
0 |
0.070 |
25 |
31 |
|
[SO4]C:201 |
4 |
1 |
186 |
f |
A |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
9 |
4 |
13533 |
62.5 |
-8.7 |
0.774 |
1 |
0 |
0 |
0.057 |
26 |
32 |
|
A |
6 |
3 |
13533 |
x |
A |
-x-1/2,y-1/2,-z+1/2 |
4_445 |
12 |
6 |
13533 |
61.3 |
1.2 |
0.758 |
2 |
0 |
0 |
0.000 |
33 |
|
B |
1 |
1 |
13407 |
x |
B |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
13407 |
1.3 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
31.3 |
0.6 |
0.629 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
B |
10 |
3 |
13407 |
f |
[SO4]D:202 |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
4 |
1 |
187 |
60.5 |
-8.4 |
0.873 |
2 |
0 |
0 |
0.061 |
28 |
35 |
|
[SO4]D:201 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13533 |
55.0 |
-7.2 |
0.822 |
3 |
0 |
0 |
0.023 |
29 |
36 |
|
[SO4]A:503 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
13533 |
53.9 |
-5.8 |
0.947 |
1 |
0 |
0 |
0.039 |
30 |
37 |
|
[SO4]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13407 |
52.5 |
-6.0 |
0.933 |
0 |
0 |
0 |
0.040 |
31 |
38 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6561 |
43.4 |
-5.6 |
0.724 |
1 |
0 |
0 |
0.039 |
32 |
39 |
|
[SO4]A:503 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6629 |
41.5 |
-5.2 |
0.721 |
1 |
0 |
0 |
0.035 |
33 |
40 |
|
[SO4]D:203 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
13407 |
38.7 |
-4.4 |
0.703 |
0 |
0 |
0 |
0.029 |
34 |
41 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13533 |
36.7 |
-4.6 |
0.869 |
1 |
0 |
0 |
0.030 |
35 |
42 |
|
B |
4 |
2 |
13407 |
◊ |
[SO4]D:201 |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
4 |
1 |
188 |
35.5 |
-3.9 |
0.849 |
0 |
0 |
0 |
0.003 |
36 |
43 |
|
[SO4]A:503 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13407 |
35.4 |
-4.7 |
0.864 |
1 |
0 |
0 |
0.031 |
37 |
44 |
|
[SO4]C:203 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13533 |
33.5 |
-3.9 |
0.719 |
0 |
0 |
0 |
0.024 |
38 |
45 |
|
[SO4]D:202 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
6561 |
31.6 |
-2.0 |
0.969 |
1 |
0 |
0 |
0.002 |
39 |
46 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
6629 |
30.4 |
-2.1 |
0.965 |
1 |
0 |
0 |
0.000 |
40 |
47 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13407 |
20.9 |
-1.8 |
0.910 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[SO4]D:202 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
13533 |
9.6 |
-1.1 |
0.776 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
A |
1 |
1 |
13533 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
13407 |
6.1 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
|