## |
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 |
|
D |
209 |
45 |
5597 |
◊ |
C |
x,y,z |
1_555 |
202 |
44 |
5632 |
1962.9 |
-24.3 |
0.472 |
39 |
4 |
0 |
0.633 |
2 |
|
B |
176 |
41 |
5385 |
◊ |
A |
x,y,z |
1_555 |
177 |
42 |
5361 |
1711.5 |
-25.1 |
0.321 |
32 |
4 |
0 |
0.633 |
Average: |
1837.2 |
-24.7 |
0.396 |
36 |
4 |
0 |
0.633 |
2 |
3 |
|
C |
33 |
11 |
5632 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
5385 |
253.0 |
-0.3 |
0.779 |
1 |
0 |
0 |
0.000 |
4 |
|
D |
30 |
11 |
5597 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
5361 |
238.2 |
-0.5 |
0.783 |
1 |
0 |
0 |
0.000 |
Average: |
245.6 |
-0.4 |
0.781 |
1 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
24 |
7 |
5632 |
◊ |
D |
-x,y-1/2,-z-1/2 |
4_544 |
31 |
9 |
5597 |
232.2 |
-3.0 |
0.508 |
2 |
0 |
0 |
0.077 |
4 |
6 |
|
A |
13 |
6 |
5361 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
19 |
6 |
5597 |
167.0 |
-2.7 |
0.341 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
17 |
6 |
5632 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
4 |
5385 |
161.8 |
1.0 |
0.824 |
6 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
13 |
6 |
5597 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
15 |
6 |
5385 |
144.0 |
-1.6 |
0.459 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
15 |
5 |
5361 |
◊ |
C |
x-1/2,-y-1/2,-z |
3_445 |
11 |
5 |
5632 |
140.1 |
-1.8 |
0.374 |
1 |
0 |
0 |
0.000 |
10 |
|
C |
14 |
5 |
5632 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
11 |
5 |
5385 |
121.4 |
-1.6 |
0.427 |
1 |
0 |
0 |
0.000 |
Average: |
135.2 |
-1.7 |
0.420 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
10 |
2 |
5597 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
3 |
5385 |
93.6 |
-0.4 |
0.581 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
5597 |
78.5 |
-10.7 |
0.818 |
3 |
0 |
0 |
0.237 |
9 |
13 |
|
[SO4]A:301 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
5385 |
77.0 |
-10.6 |
0.824 |
2 |
0 |
0 |
0.183 |
10 |
14 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
5361 |
72.2 |
-10.3 |
0.847 |
3 |
0 |
0 |
0.184 |
11 |
15 |
|
[SO4]C:301 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
5632 |
72.2 |
-10.2 |
0.826 |
2 |
0 |
0 |
0.104 |
12 |
16 |
|
C |
9 |
1 |
5632 |
x |
C |
-x,y-1/2,-z-1/2 |
4_544 |
7 |
1 |
5632 |
65.7 |
-0.9 |
0.414 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
5597 |
60.4 |
-8.4 |
0.773 |
0 |
0 |
0 |
0.165 |
14 |
18 |
|
[NA]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
5597 |
51.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.148 |
15 |
19 |
|
[SO4]C:302 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
5632 |
49.3 |
-5.0 |
0.951 |
2 |
0 |
0 |
0.116 |
16 |
20 |
|
[SO4]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
5632 |
47.6 |
-5.6 |
0.881 |
2 |
0 |
0 |
0.127 |
17 |
21 |
|
[SO4]C:304 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
5632 |
43.7 |
-3.9 |
0.982 |
2 |
0 |
0 |
0.045 |
18 |
22 |
|
D |
7 |
2 |
5597 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
5385 |
40.9 |
0.3 |
0.761 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
C |
9 |
4 |
5632 |
◊ |
[NA]D:301 |
-x,y-1/2,-z-1/2 |
4_544 |
1 |
1 |
125 |
40.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.084 |
20 |
24 |
|
[SO4]C:303 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
5597 |
38.5 |
-4.9 |
0.644 |
0 |
0 |
0 |
0.046 |
21 |
25 |
|
[SO4]C:302 |
4 |
1 |
184 |
◊ |
C |
-x,y-1/2,-z-1/2 |
4_544 |
6 |
2 |
5632 |
33.2 |
-4.7 |
0.747 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
D |
3 |
1 |
5597 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
5361 |
25.9 |
-0.8 |
0.306 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
C |
1 |
1 |
5632 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
5361 |
25.7 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[SO4]C:302 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
2 |
2 |
5385 |
23.5 |
-2.4 |
0.853 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
B |
2 |
1 |
5385 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
3 |
1 |
5597 |
21.1 |
-0.5 |
0.386 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
1 |
1 |
5632 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
5385 |
5.1 |
-0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
Average: |
13.1 |
-0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[SO4]C:302 |
3 |
1 |
184 |
◊ |
D |
-x,y-1/2,-z-1/2 |
4_544 |
3 |
3 |
5597 |
18.2 |
-2.3 |
0.704 |
0 |
0 |
0 |
0.046 |
27 |
32 |
|
[SO4]C:304 |
1 |
1 |
185 |
◊ |
[SO4]C:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.7 |
-2.8 |
0.800 |
0 |
0 |
0 |
0.026 |
28 |
33 |
|
[NA]D:301 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5632 |
5.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
29 |
34 |
|
A |
2 |
1 |
5361 |
◊ |
D |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
5597 |
5.9 |
-0.2 |
0.474 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
2 |
1 |
5632 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
5361 |
1.9 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
3.9 |
-0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
C |
2 |
1 |
5632 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5361 |
3.8 |
-0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
A |
2 |
1 |
5361 |
◊ |
[SO4]C:302 |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
184 |
2.4 |
-0.2 |
0.873 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
A |
1 |
1 |
5361 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
5385 |
2.3 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
D |
1 |
1 |
5597 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
5361 |
2.0 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[SO4]C:304 |
1 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
5385 |
0.9 |
-0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
|