| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
45 |
14 |
10183 |
x |
A |
x,y-1,z |
1_545 |
56 |
19 |
10183 |
511.8 |
-5.8 |
0.212 |
5 |
2 |
0 |
0.000 |
2 |
|
A |
62 |
20 |
10183 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
56 |
5 |
1700 |
504.2 |
-6.1 |
0.488 |
6 |
0 |
0 |
0.343 |
3 |
|
P |
49 |
5 |
1797 |
◊ |
B |
x,y,z |
1_555 |
57 |
21 |
9704 |
452.2 |
-7.3 |
0.500 |
8 |
0 |
0 |
1.000 |
4 |
|
B |
39 |
13 |
9704 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
13 |
10183 |
394.3 |
-7.4 |
0.086 |
4 |
0 |
0 |
0.022 |
5 |
|
P |
47 |
4 |
1797 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
10183 |
383.9 |
0.2 |
0.807 |
7 |
0 |
0 |
0.000 |
6 |
|
E |
39 |
3 |
1700 |
◊ |
B |
x,y,z |
1_555 |
48 |
16 |
9704 |
340.2 |
0.2 |
0.690 |
4 |
0 |
0 |
0.000 |
7 |
|
B |
34 |
14 |
9704 |
◊ |
A |
x,y,z |
1_555 |
31 |
9 |
10183 |
296.8 |
-1.0 |
0.578 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
21 |
7 |
9704 |
x |
B |
x,y-1,z |
1_545 |
29 |
8 |
9704 |
274.5 |
-2.8 |
0.226 |
4 |
2 |
0 |
0.000 |
9 |
|
[CPQ]B:406 |
19 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
32 |
8 |
9704 |
230.0 |
-1.3 |
0.244 |
0 |
0 |
0 |
0.153 |
10 |
|
[BRU]E:5 |
19 |
1 |
448 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
9704 |
214.1 |
2.1 |
0.699 |
3 |
0 |
0 |
0.000 |
11 |
|
A |
22 |
10 |
10183 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
22 |
7 |
9704 |
207.9 |
1.5 |
0.810 |
3 |
0 |
0 |
0.000 |
12 |
|
A |
21 |
6 |
10183 |
◊ |
B |
x-1/2,y+3/2,z |
3_465 |
26 |
9 |
9704 |
206.9 |
-3.1 |
0.279 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
29 |
8 |
10183 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
22 |
3 |
1700 |
204.4 |
-2.6 |
0.436 |
0 |
0 |
0 |
0.000 |
14 |
|
[BRU]P:5 |
19 |
1 |
449 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
10183 |
202.6 |
0.8 |
0.599 |
3 |
0 |
0 |
0.000 |
15 |
|
A |
19 |
7 |
10183 |
x |
A |
-x,y-1,-z+1 |
2_546 |
17 |
6 |
10183 |
186.3 |
0.3 |
0.681 |
2 |
1 |
0 |
0.000 |
16 |
|
[BRU]E:5 |
13 |
1 |
448 |
cf |
E |
x,y,z |
1_555 |
19 |
2 |
1700 |
136.8 |
-0.0 |
0.533 |
0 |
0 |
0 |
0.100 |
17 |
|
[BRU]P:5 |
14 |
1 |
449 |
cf |
P |
x,y,z |
1_555 |
19 |
2 |
1797 |
127.5 |
0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
18 |
|
[DIO]A:401 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
10183 |
127.2 |
4.6 |
0.226 |
1 |
0 |
0 |
0.000 |
19 |
|
[DIO]B:403 |
6 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
17 |
10 |
9704 |
123.1 |
4.3 |
0.230 |
0 |
0 |
0 |
0.000 |
20 |
|
[DIO]A:402 |
6 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
10183 |
121.6 |
3.7 |
0.211 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:406 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
10183 |
118.0 |
3.4 |
0.485 |
1 |
0 |
0 |
0.000 |
22 |
|
B |
15 |
5 |
9704 |
◊ |
B |
-x,y,-z |
2_555 |
15 |
5 |
9704 |
116.4 |
0.8 |
0.784 |
4 |
0 |
0 |
0.000 |
23 |
|
[SO4]A:410 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10183 |
108.4 |
-15.0 |
0.760 |
2 |
0 |
0 |
0.625 |
24 |
|
[GOL]A:403 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
10183 |
108.0 |
0.8 |
0.693 |
4 |
0 |
0 |
0.000 |
25 |
|
[DIO]B:401 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
9704 |
101.8 |
3.7 |
0.111 |
0 |
0 |
0 |
0.000 |
26 |
|
[DIO]B:404 |
6 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
9704 |
93.9 |
3.2 |
0.097 |
0 |
0 |
0 |
0.000 |
27 |
|
[DIO]B:405 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9704 |
87.3 |
2.3 |
0.092 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:404 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
10183 |
83.5 |
3.1 |
0.519 |
1 |
0 |
0 |
0.000 |
29 |
|
[CPQ]B:406 |
7 |
1 |
558 |
◊ |
B |
-x,y,-z |
2_555 |
11 |
3 |
9704 |
82.4 |
1.0 |
0.456 |
0 |
0 |
0 |
0.000 |
30 |
|
[DIO]B:402 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9704 |
82.0 |
1.9 |
0.125 |
1 |
0 |
0 |
0.000 |
31 |
|
[CPQ]B:406 |
8 |
1 |
558 |
◊ |
[CPQ]B:406 |
-x,y,-z |
2_555 |
8 |
1 |
558 |
79.7 |
1.7 |
0.443 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:407 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
10183 |
74.7 |
1.7 |
0.222 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:410 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9704 |
72.3 |
2.1 |
0.291 |
1 |
0 |
0 |
0.000 |
34 |
|
[EDO]B:407 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9704 |
69.2 |
2.7 |
0.326 |
2 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:405 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
10183 |
67.4 |
1.9 |
0.270 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
8 |
5 |
10183 |
◊ |
[BRU]E:5 |
x-1/2,y+1/2,z |
3_455 |
6 |
1 |
448 |
66.9 |
-1.3 |
0.295 |
1 |
0 |
0 |
0.068 |
37 |
|
[EDO]A:405 |
4 |
1 |
184 |
f |
A |
x,y-1,z |
1_545 |
9 |
5 |
10183 |
66.6 |
1.8 |
0.291 |
2 |
0 |
0 |
0.000 |
38 |
|
[SO4]A:409 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10183 |
64.7 |
-7.3 |
0.962 |
3 |
0 |
0 |
0.340 |
39 |
|
A |
9 |
4 |
10183 |
◊ |
A |
-x,y,-z+1 |
2_556 |
9 |
4 |
10183 |
64.6 |
1.5 |
0.863 |
0 |
0 |
0 |
0.000 |
40 |
|
[DIO]B:402 |
4 |
1 |
215 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
4 |
9704 |
63.8 |
1.8 |
0.080 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:408 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10183 |
63.0 |
0.8 |
0.329 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]B:408 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
9704 |
62.7 |
0.6 |
0.649 |
1 |
0 |
0 |
0.000 |
43 |
|
[BRU]P:5 |
6 |
1 |
449 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
9704 |
60.1 |
-1.2 |
0.309 |
1 |
0 |
0 |
0.197 |
44 |
|
[EDO]A:408 |
4 |
1 |
183 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
3 |
10183 |
59.3 |
1.2 |
0.709 |
1 |
0 |
0 |
0.000 |
45 |
|
[SO4]B:411 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
9704 |
58.9 |
-6.6 |
0.952 |
3 |
0 |
0 |
0.948 |
46 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9704 |
57.9 |
1.1 |
0.144 |
0 |
0 |
0 |
0.000 |
47 |
|
[GOL]A:403 |
5 |
1 |
219 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
10183 |
56.2 |
-0.8 |
0.422 |
0 |
0 |
0 |
0.000 |
48 |
|
[CPQ]B:406 |
7 |
1 |
558 |
f |
[EDO]B:409 |
x,y,z |
1_555 |
3 |
1 |
185 |
51.9 |
1.3 |
0.518 |
1 |
0 |
0 |
0.000 |
49 |
|
[DIO]A:402 |
3 |
1 |
214 |
f |
A |
x,y-1,z |
1_545 |
6 |
5 |
10183 |
50.4 |
1.3 |
0.272 |
0 |
0 |
0 |
0.000 |
50 |
|
B |
6 |
4 |
9704 |
◊ |
E |
x,y-1,z |
1_545 |
5 |
1 |
1700 |
43.7 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
51 |
|
[BRU]P:5 |
6 |
1 |
449 |
f |
[EDO]B:407 |
x,y,z |
1_555 |
3 |
1 |
186 |
42.9 |
1.0 |
0.642 |
1 |
0 |
0 |
0.000 |
52 |
|
[CPQ]B:406 |
4 |
1 |
558 |
◊ |
[EDO]B:408 |
-x,y,-z |
2_555 |
4 |
1 |
185 |
40.0 |
1.8 |
0.762 |
0 |
0 |
0 |
0.000 |
53 |
|
A |
2 |
1 |
10183 |
◊ |
[SO4]B:411 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
185 |
32.0 |
-2.5 |
0.985 |
1 |
0 |
0 |
0.000 |
54 |
|
[EDO]B:407 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10183 |
31.7 |
0.7 |
0.854 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]B:407 |
3 |
1 |
186 |
f |
P |
x,y,z |
1_555 |
4 |
2 |
1797 |
27.9 |
-0.3 |
0.631 |
1 |
0 |
0 |
0.207 |
56 |
|
[GOL]A:403 |
3 |
1 |
219 |
f |
P |
x,y,z |
1_555 |
3 |
2 |
1797 |
25.9 |
-0.8 |
0.428 |
1 |
0 |
0 |
0.364 |
57 |
|
[EDO]A:405 |
2 |
1 |
184 |
◊ |
A |
-x,y-1,-z+1 |
2_546 |
2 |
1 |
10183 |
25.2 |
1.7 |
0.986 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]A:408 |
2 |
1 |
183 |
f |
B |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
9704 |
24.9 |
0.5 |
0.433 |
0 |
0 |
0 |
0.000 |
59 |
|
[EDO]A:406 |
2 |
1 |
184 |
f |
P |
x,y,z |
1_555 |
2 |
1 |
1797 |
23.2 |
1.1 |
0.863 |
0 |
0 |
0 |
0.000 |
60 |
|
[DIO]B:404 |
2 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
10183 |
18.9 |
0.5 |
0.225 |
0 |
0 |
0 |
0.000 |
61 |
|
[EDO]A:407 |
2 |
1 |
185 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
1700 |
16.5 |
0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
62 |
|
[DIO]B:403 |
1 |
1 |
214 |
f |
B |
-x,y,-z |
2_555 |
3 |
2 |
9704 |
15.2 |
0.5 |
0.452 |
0 |
0 |
0 |
0.000 |
63 |
|
A |
3 |
1 |
10183 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
9704 |
14.9 |
0.7 |
0.833 |
0 |
0 |
0 |
0.000 |
64 |
|
[CPQ]B:406 |
2 |
1 |
558 |
f |
[EDO]B:408 |
x,y,z |
1_555 |
2 |
1 |
185 |
12.6 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
65 |
|
[SO4]A:409 |
1 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
2 |
2 |
1797 |
12.5 |
-2.2 |
0.520 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
2 |
2 |
9704 |
f |
[EDO]A:407 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
185 |
11.2 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
67 |
|
[BRU]P:5 |
2 |
1 |
449 |
◊ |
[SO4]A:409 |
x,y,z |
1_555 |
2 |
1 |
185 |
10.6 |
-1.5 |
0.590 |
0 |
0 |
0 |
0.000 |
68 |
|
[SO4]B:411 |
1 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
1700 |
5.5 |
-1.0 |
0.524 |
0 |
0 |
0 |
0.000 |
69 |
|
[BRU]E:5 |
1 |
1 |
448 |
◊ |
[SO4]B:411 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.9 |
-0.4 |
0.592 |
0 |
0 |
0 |
0.000 |
|