| ## |
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 |
|
A |
67 |
20 |
14227 |
◊ |
A |
-x,y,-z |
2_555 |
65 |
20 |
14227 |
678.9 |
-9.2 |
0.258 |
2 |
0 |
0 |
0.169 |
| 2 |
2 |
|
B |
76 |
23 |
13890 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
68 |
21 |
14227 |
654.8 |
-7.1 |
0.420 |
6 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
46 |
14 |
13890 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
14227 |
452.4 |
-4.4 |
0.466 |
3 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[0S9]A:808 |
29 |
1 |
615 |
f |
A |
x,y,z |
1_555 |
59 |
26 |
14227 |
438.8 |
1.5 |
0.494 |
2 |
0 |
0 |
0.000 |
5 |
|
[0S9]B:808 |
29 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
55 |
24 |
13890 |
423.3 |
0.8 |
0.441 |
2 |
0 |
0 |
0.000 |
| Average: |
431.1 |
1.2 |
0.468 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
51 |
15 |
13890 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
34 |
7 |
14227 |
388.9 |
-2.4 |
0.612 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
30 |
11 |
14227 |
◊ |
A |
-x,y,-z-1 |
2_554 |
30 |
11 |
14227 |
346.9 |
-1.7 |
0.617 |
4 |
4 |
0 |
0.000 |
| 7 |
8 |
|
A |
19 |
6 |
14227 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
6 |
13890 |
138.8 |
-2.0 |
0.397 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[SO4]B:802 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
13890 |
123.9 |
-19.8 |
0.618 |
2 |
0 |
0 |
0.053 |
| 9 |
10 |
|
[EDO]B:806 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
13890 |
119.7 |
3.4 |
0.627 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
13 |
6 |
14227 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
10 |
3 |
13890 |
113.0 |
-1.4 |
0.329 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]B:801 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
13890 |
110.1 |
-21.1 |
0.667 |
5 |
0 |
0 |
0.060 |
| 12 |
13 |
|
[EDO]A:805 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14227 |
108.7 |
2.1 |
0.416 |
3 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[SO4]A:801 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14227 |
108.2 |
-14.7 |
0.872 |
0 |
0 |
0 |
0.494 |
| 14 |
15 |
|
[EDO]B:807 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14227 |
92.2 |
2.3 |
0.292 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:804 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
14227 |
84.9 |
1.6 |
0.258 |
4 |
0 |
0 |
0.005 |
| 16 |
17 |
|
B |
13 |
6 |
13890 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
15 |
5 |
13890 |
79.4 |
0.4 |
0.720 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:804 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13890 |
75.1 |
2.1 |
0.293 |
3 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]A:803 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14227 |
72.9 |
1.6 |
0.282 |
2 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]A:807 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
14227 |
64.4 |
1.5 |
0.278 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]A:803 |
4 |
1 |
181 |
◊ |
A |
-x,y,-z |
2_555 |
8 |
3 |
14227 |
60.7 |
1.1 |
0.828 |
2 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[SO4]A:802 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14227 |
57.7 |
-7.9 |
0.578 |
1 |
0 |
0 |
0.281 |
| 22 |
23 |
|
[EDO]B:805 |
4 |
1 |
185 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
13890 |
55.6 |
0.3 |
0.601 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
A |
4 |
2 |
14227 |
◊ |
B |
x-1/2,y+1/2,z-1 |
3_454 |
9 |
2 |
13890 |
45.4 |
-1.2 |
0.290 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
B |
7 |
3 |
13890 |
◊ |
[EDO]B:803 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
184 |
42.4 |
1.1 |
0.830 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[SO4]A:802 |
4 |
1 |
186 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
14227 |
38.0 |
-3.6 |
0.955 |
0 |
0 |
0 |
0.120 |
| 26 |
27 |
|
[EDO]B:807 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
13890 |
36.8 |
1.1 |
0.885 |
1 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]B:803 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13890 |
28.5 |
1.0 |
0.897 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:807 |
2 |
1 |
185 |
◊ |
[EDO]A:803 |
-x,y,-z |
2_555 |
2 |
1 |
181 |
26.7 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]A:807 |
2 |
1 |
185 |
f |
[SO4]A:801 |
x,y,z |
1_555 |
2 |
1 |
187 |
21.9 |
-2.3 |
0.980 |
1 |
0 |
0 |
0.093 |
| 30 |
31 |
|
[EDO]B:805 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
13890 |
21.8 |
1.4 |
0.980 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[EDO]A:804 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13890 |
16.5 |
0.4 |
0.733 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]B:804 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14227 |
12.5 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[EDO]A:806 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14227 |
9.9 |
0.3 |
0.854 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
B |
1 |
1 |
13890 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
13890 |
5.5 |
0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
B |
3 |
2 |
13890 |
x |
B |
x,y-1,z |
1_545 |
3 |
2 |
13890 |
4.9 |
0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[EDO]A:807 |
1 |
1 |
185 |
f |
[SO4]A:802 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.4 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.012 |
| 37 |
38 |
|
[EDO]A:807 |
2 |
1 |
185 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
14227 |
2.2 |
0.1 |
0.903 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[EDO]B:804 |
1 |
1 |
185 |
f |
[SO4]B:801 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.9 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[SO4]A:801 |
1 |
1 |
187 |
◊ |
B |
x-1/2,y+1/2,z-1 |
3_454 |
1 |
1 |
13890 |
0.2 |
-0.0 |
0.811 |
0 |
0 |
0 |
0.000 |
|