| ## |
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 |
91 |
27 |
9261 |
◊ |
A |
x,y,z |
1_555 |
92 |
27 |
9877 |
1029.0 |
-20.1 |
0.026 |
10 |
8 |
0 |
0.410 |
2 |
|
D |
87 |
26 |
9907 |
◊ |
C |
x,y,z |
1_555 |
91 |
27 |
8843 |
1003.9 |
-20.2 |
0.030 |
8 |
8 |
0 |
0.410 |
| Average: |
1016.4 |
-20.1 |
0.028 |
9 |
8 |
0 |
0.410 |
| 2 |
3 |
|
B |
60 |
14 |
9261 |
◊ |
A |
-x+2,y-1/2,-z+3/2 |
3_746 |
60 |
14 |
9877 |
585.9 |
-5.7 |
0.506 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
39 |
14 |
8843 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
9261 |
364.0 |
-2.3 |
0.667 |
5 |
2 |
0 |
0.035 |
| 4 |
5 |
|
D |
35 |
9 |
9907 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
9877 |
331.1 |
-4.0 |
0.417 |
2 |
0 |
0 |
0.035 |
| 5 |
6 |
|
A |
33 |
9 |
9877 |
◊ |
C |
-x+5/2,-y,z-1/2 |
2_754 |
36 |
9 |
8843 |
254.2 |
0.9 |
0.891 |
4 |
5 |
0 |
0.000 |
| 6 |
7 |
|
D |
34 |
10 |
9907 |
x |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
25 |
9 |
9907 |
247.4 |
-3.0 |
0.486 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
35 |
9 |
9261 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
27 |
5 |
9907 |
241.0 |
-1.2 |
0.689 |
4 |
5 |
0 |
0.000 |
| 8 |
9 |
|
B |
30 |
9 |
9261 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
4 |
9877 |
195.3 |
-1.5 |
0.599 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
27 |
8 |
9907 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
8843 |
158.9 |
-1.7 |
0.556 |
3 |
0 |
0 |
0.000 |
| Average: |
177.1 |
-1.6 |
0.578 |
3 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
10 |
3 |
8843 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
9877 |
114.6 |
-2.9 |
0.144 |
0 |
0 |
0 |
0.021 |
| 10 |
12 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
9261 |
114.2 |
5.3 |
0.832 |
4 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]D:301 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
9907 |
113.5 |
5.3 |
0.833 |
5 |
0 |
0 |
0.000 |
| 12 |
14 |
|
B |
14 |
4 |
9261 |
x |
B |
x-1,y,z |
1_455 |
6 |
3 |
9261 |
111.3 |
-1.2 |
0.130 |
0 |
0 |
0 |
0.000 |
15 |
|
D |
17 |
6 |
9907 |
x |
D |
x-1,y,z |
1_455 |
8 |
3 |
9907 |
111.1 |
-1.3 |
0.214 |
0 |
0 |
0 |
0.000 |
| Average: |
111.2 |
-1.3 |
0.172 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[SO4]B:300 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9261 |
102.4 |
-17.7 |
0.739 |
7 |
0 |
0 |
0.653 |
17 |
|
[SO4]A:300 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9877 |
101.7 |
-17.1 |
0.747 |
9 |
0 |
0 |
0.653 |
| Average: |
102.0 |
-17.4 |
0.743 |
8 |
0 |
0 |
0.653 |
| 14 |
18 |
|
[SO4]D:300 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
9907 |
101.7 |
-16.9 |
0.751 |
6 |
0 |
0 |
0.321 |
| 15 |
19 |
|
[SO4]C:300 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
8843 |
101.1 |
-16.7 |
0.760 |
6 |
0 |
0 |
0.319 |
| 16 |
20 |
|
A |
9 |
3 |
9877 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
8 |
2 |
8843 |
63.0 |
-0.9 |
0.477 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
D |
3 |
2 |
9907 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9261 |
11.7 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[SO4]B:300 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8843 |
10.0 |
-1.2 |
0.861 |
0 |
0 |
0 |
0.008 |
| 19 |
23 |
|
[SO4]D:300 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9877 |
0.5 |
-0.1 |
0.840 |
0 |
0 |
0 |
0.000 |
|