| ## |
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 |
117 |
10 |
3096 |
◊ |
X |
x,y,z |
1_555 |
153 |
48 |
14225 |
1093.8 |
-14.6 |
0.365 |
21 |
0 |
0 |
0.832 |
2 |
|
B |
70 |
8 |
3154 |
◊ |
X |
x,y,z |
1_555 |
79 |
25 |
14225 |
677.2 |
-10.0 |
0.378 |
14 |
0 |
0 |
0.867 |
3 |
|
B |
60 |
11 |
3154 |
◊ |
A |
x,y,z |
1_555 |
63 |
13 |
3096 |
595.2 |
-3.2 |
0.632 |
33 |
0 |
0 |
1.000 |
4 |
|
X |
60 |
15 |
14225 |
x |
X |
x,y-1,z |
1_545 |
63 |
19 |
14225 |
568.6 |
-3.0 |
0.384 |
6 |
3 |
0 |
0.000 |
5 |
|
X |
35 |
12 |
14225 |
x |
X |
x-1,y,z |
1_455 |
32 |
8 |
14225 |
326.3 |
-0.7 |
0.577 |
3 |
2 |
0 |
0.000 |
6 |
|
X |
34 |
11 |
14225 |
x |
X |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
9 |
14225 |
322.3 |
-0.6 |
0.589 |
3 |
1 |
0 |
0.000 |
7 |
|
X |
35 |
14 |
14225 |
x |
X |
-x+2,y-1/2,-z+2 |
2_747 |
39 |
11 |
14225 |
306.6 |
-1.5 |
0.520 |
1 |
0 |
0 |
0.000 |
8 |
|
X |
32 |
8 |
14225 |
x |
X |
-x+1,y-1/2,-z+2 |
2_647 |
32 |
9 |
14225 |
264.5 |
-2.4 |
0.334 |
4 |
0 |
0 |
0.000 |
9 |
|
[5IU]B:3 |
18 |
1 |
468 |
cf |
B |
x,y,z |
1_555 |
29 |
2 |
3154 |
235.2 |
4.2 |
0.772 |
0 |
0 |
0 |
0.000 |
10 |
|
[5IU]B:10 |
19 |
1 |
450 |
cf |
B |
x,y,z |
1_555 |
30 |
2 |
3154 |
199.2 |
2.1 |
0.694 |
0 |
0 |
0 |
0.000 |
11 |
|
X |
20 |
6 |
14225 |
x |
X |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
8 |
14225 |
189.0 |
-0.9 |
0.478 |
2 |
0 |
0 |
0.000 |
12 |
|
X |
21 |
4 |
14225 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
18 |
1 |
3096 |
154.0 |
-2.0 |
0.269 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]X:606 |
4 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
25 |
7 |
14225 |
115.4 |
3.2 |
0.450 |
5 |
0 |
0 |
0.000 |
14 |
|
[5IU]B:10 |
12 |
1 |
450 |
◊ |
X |
x,y-1,z |
1_545 |
14 |
4 |
14225 |
109.7 |
-0.3 |
0.464 |
2 |
0 |
0 |
0.000 |
15 |
|
[EDO]X:607 |
4 |
1 |
183 |
◊ |
X |
x,y,z |
1_555 |
22 |
10 |
14225 |
109.0 |
3.6 |
0.496 |
4 |
0 |
0 |
0.000 |
16 |
|
B |
11 |
3 |
3154 |
◊ |
X |
x,y-1,z |
1_545 |
16 |
6 |
14225 |
106.8 |
-2.5 |
0.387 |
1 |
0 |
0 |
0.000 |
17 |
|
[EDO]X:610 |
4 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
19 |
7 |
14225 |
97.7 |
3.4 |
0.533 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]X:614 |
4 |
1 |
180 |
f |
X |
x,y,z |
1_555 |
19 |
8 |
14225 |
94.1 |
2.8 |
0.490 |
3 |
0 |
0 |
0.000 |
19 |
|
[ACT]X:617 |
4 |
1 |
182 |
f |
X |
x,y,z |
1_555 |
15 |
7 |
14225 |
93.9 |
-0.9 |
0.548 |
2 |
0 |
0 |
0.097 |
20 |
|
[PO4]X:618 |
5 |
1 |
188 |
f |
X |
x,y,z |
1_555 |
15 |
6 |
14225 |
90.7 |
-4.6 |
0.878 |
3 |
0 |
0 |
0.318 |
21 |
|
[EDO]X:612 |
4 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
16 |
7 |
14225 |
90.6 |
3.0 |
0.473 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]X:613 |
4 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
15 |
5 |
14225 |
88.6 |
2.2 |
0.266 |
4 |
0 |
0 |
0.000 |
23 |
|
[EDO]X:605 |
4 |
1 |
185 |
◊ |
X |
x,y,z |
1_555 |
15 |
5 |
14225 |
85.5 |
3.1 |
0.527 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]X:611 |
4 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
15 |
7 |
14225 |
84.5 |
2.0 |
0.282 |
4 |
0 |
0 |
0.000 |
25 |
|
[EDO]X:604 |
4 |
1 |
184 |
f |
X |
x,y,z |
1_555 |
17 |
6 |
14225 |
83.3 |
2.3 |
0.405 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]X:608 |
4 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
11 |
5 |
14225 |
83.2 |
1.9 |
0.228 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]X:603 |
4 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
10 |
3 |
14225 |
82.7 |
1.5 |
0.185 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
10 |
1 |
3154 |
◊ |
X |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
4 |
14225 |
77.8 |
1.5 |
0.659 |
0 |
0 |
0 |
0.000 |
29 |
|
[5IU]B:3 |
10 |
1 |
468 |
◊ |
X |
x,y,z |
1_555 |
11 |
2 |
14225 |
77.2 |
-0.4 |
0.484 |
1 |
0 |
0 |
0.045 |
30 |
|
[EDO]X:616 |
4 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
9 |
4 |
14225 |
75.1 |
2.2 |
0.893 |
3 |
0 |
0 |
0.000 |
31 |
|
[5IU]B:10 |
9 |
1 |
450 |
◊ |
X |
x,y,z |
1_555 |
12 |
5 |
14225 |
75.0 |
-0.8 |
0.391 |
0 |
0 |
0 |
0.041 |
32 |
|
[EDO]A:702 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
3096 |
74.2 |
3.5 |
0.306 |
2 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:703 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
3096 |
67.0 |
0.8 |
0.193 |
1 |
0 |
0 |
0.000 |
34 |
|
[5IU]B:10 |
6 |
1 |
450 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
3096 |
66.2 |
1.6 |
0.620 |
2 |
0 |
0 |
0.000 |
35 |
|
[EDO]X:615 |
4 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
15 |
7 |
14225 |
65.7 |
1.3 |
0.259 |
3 |
0 |
0 |
0.004 |
36 |
|
X |
10 |
4 |
14225 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
1 |
3154 |
65.4 |
-0.5 |
0.497 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]X:609 |
4 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
9 |
4 |
14225 |
64.8 |
1.3 |
0.779 |
2 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:701 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
3154 |
64.5 |
2.6 |
0.291 |
1 |
0 |
0 |
0.000 |
39 |
|
[EDO]X:602 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
3154 |
63.5 |
0.2 |
0.575 |
1 |
0 |
0 |
0.022 |
40 |
|
A |
10 |
1 |
3096 |
◊ |
X |
-x+2,y-1/2,-z+1 |
2_746 |
9 |
3 |
14225 |
61.0 |
-0.8 |
0.506 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]X:616 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
3154 |
60.7 |
0.2 |
0.181 |
1 |
0 |
0 |
0.027 |
42 |
|
[ACT]A:704 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
3096 |
59.4 |
1.5 |
0.792 |
1 |
0 |
0 |
0.000 |
43 |
|
[EDO]X:608 |
3 |
1 |
184 |
f |
X |
x,y-1,z |
1_545 |
7 |
4 |
14225 |
59.3 |
1.4 |
0.232 |
1 |
0 |
0 |
0.000 |
44 |
|
[5IU]B:3 |
6 |
1 |
468 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
3096 |
57.9 |
0.7 |
0.559 |
2 |
0 |
0 |
0.024 |
45 |
|
X |
9 |
2 |
14225 |
◊ |
[5IU]B:3 |
x,y-1,z |
1_545 |
4 |
1 |
468 |
57.9 |
-2.0 |
0.225 |
1 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:702 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
3154 |
57.7 |
0.8 |
0.245 |
2 |
0 |
0 |
0.012 |
47 |
|
[EDO]X:609 |
3 |
1 |
185 |
◊ |
X |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
4 |
14225 |
55.8 |
1.4 |
0.191 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
3096 |
55.2 |
1.8 |
0.825 |
2 |
0 |
0 |
0.000 |
49 |
|
[EDO]A:701 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
3096 |
54.6 |
1.9 |
0.847 |
2 |
0 |
0 |
0.000 |
50 |
|
[EDO]B:101 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
3154 |
53.2 |
1.8 |
0.827 |
2 |
0 |
0 |
0.000 |
51 |
|
[ACT]A:704 |
4 |
1 |
183 |
◊ |
X |
x,y,z |
1_555 |
6 |
2 |
14225 |
52.4 |
-0.3 |
0.600 |
0 |
0 |
0 |
0.018 |
52 |
|
X |
8 |
3 |
14225 |
f |
[EDO]X:605 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
51.0 |
0.9 |
0.697 |
2 |
0 |
0 |
0.001 |
53 |
|
[EDO]B:101 |
3 |
1 |
184 |
f |
X |
x,y,z |
1_555 |
11 |
4 |
14225 |
50.1 |
1.6 |
0.274 |
1 |
0 |
0 |
0.000 |
54 |
|
[EDO]X:603 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
3096 |
48.9 |
1.8 |
0.274 |
0 |
0 |
0 |
0.000 |
55 |
|
X |
8 |
2 |
14225 |
◊ |
[EDO]X:615 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
48.2 |
1.0 |
0.189 |
0 |
0 |
0 |
0.000 |
56 |
|
X |
6 |
2 |
14225 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
1 |
3154 |
47.6 |
0.5 |
0.667 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]A:703 |
3 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
9 |
3 |
14225 |
43.4 |
0.8 |
0.632 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]X:614 |
3 |
1 |
180 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
3096 |
43.0 |
0.8 |
0.650 |
1 |
0 |
0 |
0.000 |
59 |
|
X |
5 |
2 |
14225 |
◊ |
[EDO]X:611 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
184 |
42.7 |
1.7 |
0.305 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]X:612 |
2 |
1 |
184 |
◊ |
X |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
2 |
14225 |
40.3 |
0.6 |
0.368 |
0 |
0 |
0 |
0.000 |
61 |
|
[CA]X:601 |
1 |
1 |
85 |
f |
X |
x,y,z |
1_555 |
13 |
6 |
14225 |
40.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.437 |
62 |
|
X |
9 |
4 |
14225 |
◊ |
[EDO]X:604 |
x,y-1,z |
1_545 |
2 |
1 |
184 |
38.0 |
1.1 |
0.931 |
1 |
0 |
0 |
0.000 |
63 |
|
[ACT]A:704 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
2 |
3154 |
37.4 |
-1.2 |
0.504 |
0 |
0 |
0 |
0.121 |
64 |
|
[EDO]A:701 |
4 |
1 |
183 |
f |
X |
x,y,z |
1_555 |
3 |
2 |
14225 |
36.7 |
0.2 |
0.356 |
0 |
0 |
0 |
0.000 |
65 |
|
[EDO]X:602 |
4 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
3 |
1 |
14225 |
36.4 |
0.7 |
0.651 |
1 |
0 |
0 |
0.000 |
66 |
|
X |
2 |
1 |
14225 |
◊ |
[PO4]X:618 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
188 |
36.3 |
-1.6 |
0.893 |
1 |
0 |
0 |
0.000 |
67 |
|
X |
3 |
1 |
14225 |
◊ |
[ACT]X:617 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
182 |
36.2 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
68 |
|
[5IU]B:3 |
2 |
1 |
468 |
◊ |
[EDO]X:615 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.2 |
0.7 |
0.589 |
0 |
0 |
0 |
0.000 |
69 |
|
[EDO]X:609 |
2 |
1 |
185 |
◊ |
[PO4]X:618 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
188 |
29.7 |
-0.4 |
0.704 |
0 |
0 |
0 |
0.000 |
70 |
|
[EDO]X:610 |
3 |
1 |
184 |
◊ |
[EDO]X:604 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
29.6 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
71 |
|
[5IU]B:10 |
4 |
1 |
450 |
f |
[ACT]A:704 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.1 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.029 |
72 |
|
[EDO]X:607 |
3 |
1 |
183 |
f |
X |
x,y-1,z |
1_545 |
3 |
1 |
14225 |
27.7 |
0.4 |
0.394 |
0 |
0 |
0 |
0.000 |
73 |
|
[EDO]X:615 |
3 |
1 |
185 |
f |
[CA]X:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.136 |
74 |
|
A |
3 |
1 |
3096 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
3096 |
16.4 |
-0.4 |
0.302 |
0 |
0 |
0 |
0.000 |
75 |
|
X |
1 |
1 |
14225 |
◊ |
[EDO]X:605 |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
185 |
14.5 |
0.5 |
0.925 |
0 |
0 |
0 |
0.000 |
76 |
|
[EDO]X:610 |
2 |
1 |
184 |
◊ |
X |
x,y-1,z |
1_545 |
3 |
3 |
14225 |
13.9 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
77 |
|
[EDO]X:615 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
3154 |
12.0 |
0.4 |
0.704 |
0 |
0 |
0 |
0.000 |
78 |
|
[EDO]X:610 |
2 |
1 |
184 |
f |
B |
x,y-1,z |
1_545 |
1 |
1 |
3154 |
8.7 |
-0.4 |
0.423 |
0 |
0 |
0 |
0.039 |
79 |
|
B |
1 |
1 |
3154 |
f |
[EDO]X:611 |
x,y-1,z |
1_545 |
2 |
1 |
184 |
8.7 |
-0.3 |
0.423 |
0 |
0 |
0 |
0.031 |
80 |
|
[EDO]B:101 |
1 |
1 |
184 |
f |
[EDO]A:701 |
x,y,z |
1_555 |
1 |
1 |
183 |
7.4 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
81 |
|
X |
2 |
1 |
14225 |
◊ |
[CA]X:601 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
7.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
|
[5IU]B:3 |
1 |
1 |
468 |
f |
[EDO]X:602 |
x,y,z |
1_555 |
2 |
1 |
184 |
6.0 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.005 |
83 |
|
[EDO]X:604 |
1 |
1 |
184 |
f |
[CA]X:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.039 |
84 |
|
[EDO]X:616 |
1 |
1 |
184 |
f |
[EDO]X:602 |
x,y,z |
1_555 |
2 |
1 |
184 |
3.9 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
85 |
|
[EDO]X:612 |
1 |
1 |
184 |
◊ |
X |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
14225 |
3.9 |
0.2 |
0.884 |
0 |
0 |
0 |
0.000 |
86 |
|
X |
1 |
1 |
14225 |
◊ |
[EDO]X:605 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
185 |
3.6 |
0.2 |
0.918 |
0 |
0 |
0 |
0.000 |
87 |
|
[EDO]X:612 |
1 |
1 |
184 |
f |
X |
x,y-1,z |
1_545 |
1 |
1 |
14225 |
0.6 |
0.0 |
0.818 |
0 |
0 |
0 |
0.000 |
88 |
|
[EDO]X:614 |
1 |
1 |
180 |
f |
[EDO]A:701 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|