## |
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 |
47 |
13 |
11791 |
x |
A |
x-1/2,-y+5/2,-z |
4_475 |
46 |
13 |
11791 |
457.7 |
-7.1 |
0.198 |
2 |
0 |
0 |
0.000 |
2 |
|
A |
32 |
11 |
11791 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
48 |
15 |
11791 |
364.2 |
-0.4 |
0.664 |
3 |
2 |
0 |
0.000 |
3 |
|
A |
30 |
9 |
11791 |
x |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
40 |
13 |
11791 |
334.6 |
-0.7 |
0.689 |
6 |
1 |
0 |
0.000 |
4 |
|
[CGJ]A:501 |
15 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
43 |
15 |
11791 |
230.9 |
5.5 |
0.525 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
20 |
7 |
11791 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
11 |
3 |
11791 |
138.8 |
-0.9 |
0.542 |
2 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:512 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11791 |
98.5 |
3.2 |
0.317 |
1 |
0 |
0 |
0.000 |
7 |
|
[SO4]A:505 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11791 |
95.0 |
-14.3 |
0.627 |
1 |
0 |
0 |
0.011 |
8 |
|
[EDO]A:510 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11791 |
93.8 |
3.5 |
0.558 |
2 |
0 |
0 |
0.000 |
9 |
|
[BME]A:503 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11791 |
93.0 |
-2.0 |
0.369 |
3 |
0 |
0 |
0.003 |
10 |
|
[BME]A:502 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11791 |
89.1 |
-1.7 |
0.330 |
1 |
0 |
0 |
0.002 |
11 |
|
[EDO]A:509 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
11791 |
85.9 |
1.4 |
0.240 |
1 |
0 |
0 |
0.000 |
12 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11791 |
85.5 |
-12.2 |
0.900 |
3 |
0 |
0 |
0.011 |
13 |
|
[EDO]A:514 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
11791 |
83.6 |
2.4 |
0.293 |
2 |
0 |
0 |
0.000 |
14 |
|
[UNX]A:523 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
11791 |
82.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.005 |
15 |
|
[SO4]A:508 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11791 |
80.7 |
-10.2 |
0.927 |
2 |
0 |
0 |
0.009 |
16 |
|
[EDO]A:513 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11791 |
80.6 |
2.0 |
0.266 |
1 |
0 |
0 |
0.000 |
17 |
|
[UNX]A:522 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
11791 |
79.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.004 |
18 |
|
[BME]A:503 |
4 |
1 |
207 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
3 |
11791 |
76.6 |
0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:504 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11791 |
75.3 |
-10.9 |
0.827 |
2 |
0 |
0 |
0.009 |
20 |
|
[UNX]A:520 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
11791 |
75.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.004 |
21 |
|
[UNX]A:521 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11791 |
70.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.004 |
22 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
11791 |
70.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.004 |
23 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11791 |
69.3 |
1.4 |
0.810 |
3 |
0 |
0 |
0.000 |
24 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11791 |
68.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.004 |
25 |
|
[UNX]A:524 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11791 |
68.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
26 |
|
[SO4]A:507 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11791 |
67.9 |
-9.9 |
0.660 |
3 |
0 |
0 |
0.009 |
27 |
|
[UNX]A:515 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11791 |
65.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.004 |
28 |
|
[UNX]A:526 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11791 |
65.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.004 |
29 |
|
[UNX]A:518 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11791 |
65.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.004 |
30 |
|
A |
8 |
3 |
11791 |
◊ |
[EDO]A:511 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
185 |
58.7 |
0.7 |
0.666 |
0 |
0 |
0 |
0.000 |
31 |
|
[UNX]A:527 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11791 |
58.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.003 |
32 |
|
[EDO]A:509 |
2 |
1 |
183 |
◊ |
A |
x-1/2,-y+5/2,-z |
4_475 |
9 |
2 |
11791 |
53.0 |
1.3 |
0.597 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:513 |
4 |
1 |
185 |
f |
A |
x-1/2,-y+5/2,-z |
4_475 |
4 |
1 |
11791 |
49.5 |
1.1 |
0.891 |
2 |
0 |
0 |
0.000 |
34 |
|
[BME]A:502 |
2 |
1 |
206 |
f |
[CGJ]A:501 |
x,y,z |
1_555 |
7 |
1 |
353 |
49.2 |
-0.7 |
0.141 |
0 |
0 |
0 |
0.000 |
35 |
|
[UNX]A:525 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
11791 |
42.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.002 |
36 |
|
[SO4]A:505 |
3 |
1 |
187 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
11791 |
40.5 |
-3.6 |
0.980 |
3 |
0 |
0 |
0.000 |
37 |
|
A |
3 |
1 |
11791 |
◊ |
[SO4]A:507 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
186 |
39.5 |
-3.4 |
0.973 |
3 |
0 |
0 |
0.000 |
38 |
|
A |
5 |
1 |
11791 |
◊ |
[EDO]A:513 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
185 |
38.1 |
0.8 |
0.683 |
0 |
0 |
0 |
0.000 |
39 |
|
[UNX]A:519 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
11791 |
37.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
6 |
2 |
11791 |
f |
[UNX]A:519 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
129 |
36.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.001 |
41 |
|
[UNX]A:518 |
1 |
1 |
129 |
f |
[SO4]A:508 |
x,y,z |
1_555 |
4 |
1 |
186 |
34.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.004 |
42 |
|
A |
9 |
2 |
11791 |
◊ |
[UNX]A:524 |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
129 |
34.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
3 |
2 |
11791 |
◊ |
[SO4]A:504 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
187 |
32.1 |
-3.9 |
0.855 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:512 |
3 |
1 |
183 |
f |
[EDO]A:510 |
x,y,z |
1_555 |
4 |
1 |
185 |
32.0 |
1.0 |
1.000 |
2 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:510 |
2 |
1 |
185 |
f |
[SO4]A:506 |
x,y,z |
1_555 |
4 |
1 |
186 |
27.3 |
-2.4 |
0.999 |
1 |
0 |
0 |
0.002 |
46 |
|
[UNX]A:525 |
1 |
1 |
129 |
f |
[EDO]A:509 |
x,y,z |
1_555 |
3 |
1 |
183 |
19.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
1 |
1 |
11791 |
x |
A |
-x+3/2,-y+2,z-1/2 |
2_674 |
2 |
1 |
11791 |
17.0 |
0.3 |
0.798 |
0 |
0 |
0 |
0.000 |
48 |
|
[UNX]A:523 |
1 |
1 |
129 |
f |
[UNX]A:522 |
x,y,z |
1_555 |
1 |
1 |
129 |
16.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.001 |
49 |
|
[EDO]A:514 |
2 |
1 |
184 |
f |
[BME]A:502 |
x,y,z |
1_555 |
2 |
1 |
206 |
16.0 |
0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
50 |
|
[UNX]A:527 |
1 |
1 |
129 |
f |
[UNX]A:526 |
x,y,z |
1_555 |
1 |
1 |
129 |
15.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.001 |
51 |
|
[EDO]A:512 |
3 |
1 |
183 |
f |
[SO4]A:506 |
x,y,z |
1_555 |
1 |
1 |
186 |
13.5 |
-1.5 |
0.894 |
0 |
0 |
0 |
0.001 |
52 |
|
A |
4 |
2 |
11791 |
◊ |
[UNX]A:516 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
129 |
11.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[UNX]A:527 |
1 |
1 |
129 |
f |
[UNX]A:525 |
x,y,z |
1_555 |
1 |
1 |
129 |
6.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
[EDO]A:510 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|