| ## |
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 |
111 |
30 |
13847 |
◊ |
A |
x,y,z |
1_555 |
111 |
30 |
14171 |
1023.8 |
-8.1 |
0.278 |
7 |
4 |
0 |
0.064 |
| 2 |
2 |
|
A |
79 |
18 |
14171 |
x |
A |
-y,x-y,z |
2_555 |
79 |
26 |
14171 |
729.5 |
-5.7 |
0.295 |
8 |
0 |
0 |
0.111 |
3 |
|
B |
83 |
26 |
13847 |
x |
B |
-y,x-y,z |
2_555 |
77 |
18 |
13847 |
718.4 |
-6.5 |
0.238 |
7 |
0 |
0 |
0.111 |
| Average: |
723.9 |
-6.1 |
0.267 |
8 |
0 |
0 |
0.111 |
| 3 |
4 |
|
[AR6]B:401 |
35 |
1 |
728 |
f |
B |
x,y,z |
1_555 |
82 |
30 |
13847 |
496.3 |
-6.7 |
0.625 |
18 |
0 |
0 |
0.170 |
5 |
|
[AR6]A:401 |
36 |
1 |
729 |
f |
A |
x,y,z |
1_555 |
79 |
30 |
14171 |
480.5 |
-6.6 |
0.649 |
19 |
0 |
0 |
0.170 |
| Average: |
488.4 |
-6.7 |
0.637 |
19 |
0 |
0 |
0.170 |
| 4 |
6 |
|
A |
49 |
13 |
14171 |
x |
A |
-y,x-y+1,z |
2_565 |
46 |
14 |
14171 |
427.4 |
-3.1 |
0.340 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[HW2]B:407 |
31 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
40 |
19 |
13847 |
372.6 |
-4.3 |
0.087 |
1 |
0 |
0 |
0.054 |
8 |
|
[HW2]A:408 |
31 |
1 |
610 |
f |
A |
x,y,z |
1_555 |
45 |
20 |
14171 |
367.8 |
-4.2 |
0.131 |
2 |
0 |
0 |
0.054 |
| Average: |
370.2 |
-4.2 |
0.109 |
2 |
0 |
0 |
0.054 |
| 6 |
9 |
|
A |
18 |
5 |
14171 |
◊ |
B |
x-y,x,z-1/2 |
6_554 |
19 |
5 |
13847 |
158.8 |
2.1 |
0.831 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[EDO]A:412 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
14171 |
108.7 |
2.3 |
0.411 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
B |
10 |
5 |
13847 |
f |
[SO4]B:405 |
-y,x-y,z |
2_555 |
5 |
1 |
184 |
91.9 |
-12.9 |
0.869 |
3 |
0 |
0 |
0.165 |
| 9 |
12 |
|
[SO4]A:404 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14171 |
90.7 |
-11.4 |
0.912 |
3 |
0 |
0 |
0.135 |
| 10 |
13 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
-y,x-y,z |
2_555 |
11 |
6 |
14171 |
89.1 |
-12.2 |
0.873 |
3 |
0 |
0 |
0.143 |
| 11 |
14 |
|
[SO4]B:403 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14171 |
88.5 |
-10.7 |
0.725 |
1 |
0 |
0 |
0.117 |
| 12 |
15 |
|
[SO4]B:403 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13847 |
86.2 |
-10.5 |
0.717 |
1 |
0 |
0 |
0.059 |
| 13 |
16 |
|
[EDO]A:409 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
14171 |
86.0 |
1.7 |
0.211 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]B:404 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13847 |
85.2 |
-11.2 |
0.881 |
2 |
0 |
0 |
0.139 |
| 15 |
18 |
|
B |
13 |
5 |
13847 |
x |
B |
-y,x-y+1,z |
2_565 |
12 |
6 |
13847 |
81.0 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[SO4]B:406 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13847 |
80.8 |
-12.4 |
0.607 |
2 |
0 |
0 |
0.153 |
| 17 |
20 |
|
[EDO]A:410 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
14171 |
79.1 |
1.4 |
0.210 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[SO4]A:407 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13847 |
78.2 |
-10.3 |
0.875 |
3 |
0 |
0 |
0.134 |
| 19 |
22 |
|
[SO4]A:405 |
5 |
1 |
184 |
◊ |
B |
x-y,x,z-1/2 |
6_554 |
9 |
3 |
13847 |
74.6 |
-9.8 |
0.869 |
5 |
0 |
0 |
0.063 |
| 20 |
23 |
|
[SO4]A:405 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14171 |
73.8 |
-9.5 |
0.882 |
7 |
0 |
0 |
0.133 |
| 21 |
24 |
|
[SO4]A:407 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14171 |
73.2 |
-9.4 |
0.889 |
4 |
0 |
0 |
0.060 |
| 22 |
25 |
|
[SO4]A:406 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14171 |
66.2 |
-9.5 |
0.583 |
1 |
0 |
0 |
0.105 |
| 23 |
26 |
|
[EDO]A:411 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13847 |
62.0 |
0.7 |
0.573 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]A:411 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
14171 |
51.5 |
1.2 |
0.708 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[SO4]A:403 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14171 |
45.2 |
-5.0 |
0.826 |
1 |
0 |
0 |
0.058 |
| 26 |
29 |
|
[SO4]B:405 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13847 |
43.2 |
-4.8 |
0.796 |
0 |
0 |
0 |
0.055 |
| 27 |
30 |
|
[HW2]A:408 |
4 |
1 |
610 |
f |
[AR6]A:401 |
x,y,z |
1_555 |
5 |
1 |
729 |
42.4 |
-1.2 |
0.486 |
2 |
0 |
0 |
0.022 |
| 28 |
31 |
|
[AR6]B:401 |
4 |
1 |
728 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
14171 |
38.4 |
0.8 |
0.763 |
1 |
0 |
0 |
0.000 |
32 |
|
[AR6]A:401 |
4 |
1 |
729 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13847 |
37.3 |
0.7 |
0.747 |
1 |
0 |
0 |
0.000 |
| Average: |
37.8 |
0.8 |
0.755 |
1 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[HW2]B:407 |
4 |
1 |
610 |
f |
[AR6]B:401 |
x,y,z |
1_555 |
6 |
1 |
728 |
38.4 |
-0.9 |
0.545 |
2 |
0 |
0 |
0.020 |
| 30 |
34 |
|
[EDO]A:410 |
3 |
1 |
185 |
◊ |
[HW2]A:408 |
x,y,z |
1_555 |
4 |
1 |
610 |
37.1 |
0.5 |
0.632 |
1 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[EDO]A:412 |
3 |
1 |
183 |
f |
[AR6]A:401 |
x,y,z |
1_555 |
5 |
1 |
729 |
30.1 |
-0.9 |
0.635 |
2 |
0 |
0 |
0.019 |
| 32 |
36 |
|
[EDO]A:409 |
2 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13847 |
28.2 |
0.5 |
0.763 |
1 |
0 |
0 |
0.000 |
| 33 |
37 |
|
A |
5 |
2 |
14171 |
◊ |
B |
-y,x-y,z |
2_555 |
5 |
2 |
13847 |
23.5 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.001 |
| 34 |
38 |
|
[EDO]A:412 |
2 |
1 |
183 |
f |
[HW2]A:408 |
x,y,z |
1_555 |
3 |
1 |
610 |
20.5 |
0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[EDO]A:409 |
1 |
1 |
183 |
f |
[HW2]A:408 |
x,y,z |
1_555 |
6 |
1 |
610 |
13.2 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
B |
3 |
2 |
13847 |
◊ |
A |
x-y,x,z+1/2 |
6_555 |
3 |
2 |
14171 |
7.4 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[EDO]A:410 |
1 |
1 |
185 |
f |
A |
-y,x-y+1,z |
2_565 |
1 |
1 |
14171 |
2.7 |
-0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|