## |
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 |
85 |
25 |
8920 |
◊ |
A |
x,y,z |
1_555 |
93 |
27 |
8692 |
791.3 |
-1.4 |
0.623 |
7 |
2 |
0 |
0.039 |
2 |
2 |
|
[NAP]A:202 |
48 |
1 |
929 |
f |
A |
x,y,z |
1_555 |
89 |
31 |
8692 |
653.7 |
-3.3 |
0.514 |
21 |
0 |
0 |
0.211 |
3 |
|
[NAP]B:202 |
48 |
1 |
926 |
f |
B |
x,y,z |
1_555 |
85 |
31 |
8920 |
648.2 |
-3.6 |
0.474 |
22 |
0 |
0 |
0.211 |
Average: |
651.0 |
-3.5 |
0.494 |
22 |
0 |
0 |
0.211 |
3 |
4 |
|
B |
65 |
18 |
8920 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
76 |
23 |
8692 |
616.0 |
-3.1 |
0.428 |
6 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
64 |
20 |
8920 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
54 |
15 |
8692 |
530.7 |
-3.3 |
0.434 |
5 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
46 |
12 |
8920 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
13 |
8920 |
407.6 |
-3.0 |
0.382 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
39 |
12 |
8692 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
9 |
8692 |
325.0 |
-1.5 |
0.512 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
32 |
7 |
8692 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
7 |
8920 |
277.7 |
-0.5 |
0.605 |
3 |
5 |
0 |
0.021 |
8 |
9 |
|
[RJY]B:205 |
11 |
1 |
335 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
8920 |
224.2 |
-3.0 |
0.380 |
0 |
0 |
0 |
0.051 |
10 |
|
[RJY]A:204 |
11 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
8692 |
221.7 |
-2.9 |
0.401 |
1 |
0 |
0 |
0.051 |
Average: |
222.9 |
-2.9 |
0.391 |
1 |
0 |
0 |
0.051 |
9 |
11 |
|
A |
21 |
8 |
8692 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
5 |
8692 |
220.9 |
-1.8 |
0.151 |
3 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
16 |
6 |
8920 |
x |
B |
-x+3/2,-y,z-1/2 |
2_654 |
15 |
7 |
8920 |
141.1 |
-2.9 |
0.138 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[PO4]B:203 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8920 |
106.7 |
-7.4 |
0.566 |
1 |
0 |
0 |
0.063 |
12 |
14 |
|
[SO4]B:207 |
5 |
1 |
184 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
5 |
8692 |
81.0 |
-8.3 |
0.898 |
3 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]B:207 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8920 |
79.2 |
-9.0 |
0.863 |
3 |
0 |
0 |
0.084 |
14 |
16 |
|
[SO4]B:206 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8920 |
78.6 |
-10.4 |
0.810 |
3 |
0 |
0 |
0.095 |
15 |
17 |
|
[PO4]A:203 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
8692 |
70.8 |
-2.8 |
0.934 |
4 |
0 |
0 |
0.037 |
16 |
18 |
|
[PO4]B:204 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
8920 |
67.5 |
-2.9 |
0.930 |
3 |
0 |
0 |
0.034 |
17 |
19 |
|
[SO4]B:208 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
8920 |
61.3 |
-6.8 |
0.880 |
2 |
0 |
0 |
0.062 |
18 |
20 |
|
[RJY]A:204 |
5 |
1 |
332 |
f |
[NAP]A:202 |
x,y,z |
1_555 |
9 |
1 |
929 |
55.7 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[CO]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8920 |
55.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.114 |
22 |
|
[CO]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8692 |
48.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
51.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.114 |
20 |
23 |
|
[RJY]B:205 |
5 |
1 |
335 |
f |
[NAP]B:202 |
x,y,z |
1_555 |
6 |
1 |
926 |
47.9 |
0.5 |
0.551 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[SO4]B:208 |
4 |
1 |
186 |
cf |
[NAP]B:202 |
x,y,z |
1_555 |
3 |
1 |
926 |
46.2 |
-5.3 |
0.882 |
0 |
0 |
0 |
0.043 |
22 |
25 |
|
[SO4]A:205 |
4 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
8 |
2 |
8920 |
45.8 |
-6.1 |
0.627 |
0 |
0 |
0 |
0.049 |
23 |
26 |
|
[SO4]A:205 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
8692 |
44.5 |
-5.0 |
0.925 |
2 |
0 |
0 |
0.046 |
24 |
27 |
|
[CO]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
8920 |
39.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.075 |
28 |
|
[CO]B:201 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
8692 |
37.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
38.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.075 |
25 |
29 |
|
A |
3 |
1 |
8692 |
◊ |
[SO4]B:208 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
31.6 |
-4.0 |
0.538 |
0 |
0 |
0 |
0.032 |
26 |
30 |
|
[RJY]B:205 |
5 |
1 |
335 |
f |
[PO4]B:203 |
x,y,z |
1_555 |
3 |
1 |
189 |
30.6 |
-1.7 |
0.808 |
0 |
0 |
0 |
0.014 |
27 |
31 |
|
[SO4]A:205 |
4 |
1 |
185 |
◊ |
[NAP]A:202 |
x,y,z |
1_555 |
4 |
1 |
929 |
28.7 |
-2.6 |
0.833 |
0 |
0 |
0 |
0.020 |
28 |
32 |
|
[PO4]B:204 |
3 |
1 |
189 |
f |
[NAP]B:202 |
x,y,z |
1_555 |
2 |
1 |
926 |
18.0 |
-1.1 |
0.632 |
0 |
0 |
0 |
0.009 |
29 |
33 |
|
[PO4]A:203 |
3 |
1 |
188 |
f |
[NAP]A:202 |
x,y,z |
1_555 |
2 |
1 |
929 |
14.8 |
-1.0 |
0.553 |
0 |
0 |
0 |
0.008 |
30 |
34 |
|
B |
2 |
1 |
8920 |
◊ |
[CO]A:201 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
12.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[CO]B:201 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
8692 |
9.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[SO4]A:205 |
2 |
1 |
185 |
f |
[NAP]B:202 |
x-1,y,z |
1_455 |
1 |
1 |
926 |
11.3 |
-1.2 |
0.762 |
0 |
0 |
0 |
0.010 |
32 |
37 |
|
[NAP]A:202 |
3 |
1 |
929 |
◊ |
[SO4]B:208 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
9.7 |
-1.1 |
0.663 |
0 |
0 |
0 |
0.009 |
33 |
38 |
|
[SO4]B:207 |
2 |
1 |
184 |
f |
[PO4]B:203 |
x,y,z |
1_555 |
1 |
1 |
189 |
5.2 |
-0.9 |
0.876 |
0 |
0 |
0 |
0.007 |
|