| ## |
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 |
84 |
25 |
25040 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
68 |
23 |
25040 |
698.8 |
-4.2 |
0.435 |
4 |
2 |
0 |
0.000 |
| 2 |
2 |
|
[HEM]A:604 |
43 |
1 |
838 |
cf |
A |
x,y,z |
1_555 |
75 |
29 |
25040 |
565.4 |
-19.6 |
0.639 |
4 |
0 |
0 |
0.039 |
| 3 |
3 |
|
A |
51 |
16 |
25040 |
x |
A |
x-1,y,z |
1_455 |
55 |
17 |
25040 |
442.5 |
-3.5 |
0.377 |
2 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
41 |
13 |
25040 |
x |
A |
-x,y-1/2,-z |
2_545 |
44 |
12 |
25040 |
336.4 |
-1.1 |
0.580 |
3 |
4 |
0 |
0.000 |
| 5 |
5 |
|
A |
33 |
12 |
25040 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
35 |
10 |
25040 |
317.4 |
-1.4 |
0.495 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[NAG]A:602 |
13 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
21 |
9 |
25040 |
170.9 |
3.5 |
0.362 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[NAG]A:603 |
12 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
25040 |
137.9 |
2.4 |
0.306 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NAG]A:601 |
12 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
16 |
5 |
25040 |
126.2 |
2.9 |
0.337 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[OSM]A:626 |
4 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
25040 |
125.6 |
-1.7 |
0.609 |
2 |
0 |
0 |
0.005 |
| 10 |
10 |
|
[EDO]A:637 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
25040 |
118.9 |
3.6 |
0.500 |
4 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[OSM]A:628 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
25040 |
112.1 |
-1.7 |
0.531 |
0 |
0 |
0 |
0.003 |
| 12 |
12 |
|
[SCN]A:630 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
25040 |
111.4 |
-3.4 |
0.508 |
1 |
0 |
0 |
0.007 |
| 13 |
13 |
|
[OSM]A:627 |
4 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
25040 |
104.2 |
-1.6 |
0.609 |
1 |
0 |
0 |
0.004 |
| 14 |
14 |
|
[EDO]A:611 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
25040 |
103.9 |
3.1 |
0.503 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]A:613 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
25040 |
103.2 |
2.7 |
0.427 |
1 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[OSM]A:629 |
4 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
25040 |
98.5 |
-1.3 |
0.659 |
0 |
0 |
0 |
0.002 |
| 17 |
17 |
|
[SCN]A:635 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
25040 |
98.1 |
-2.9 |
0.518 |
0 |
0 |
0 |
0.005 |
| 18 |
18 |
|
[SCN]A:636 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
25040 |
97.4 |
-2.7 |
0.584 |
0 |
0 |
0 |
0.005 |
| 19 |
19 |
|
[GOL]A:638 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
25040 |
95.7 |
-0.3 |
0.549 |
2 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[OSM]A:622 |
4 |
1 |
202 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
25040 |
94.1 |
-1.2 |
0.528 |
0 |
0 |
0 |
0.002 |
| 21 |
21 |
|
[OSM]A:623 |
4 |
1 |
200 |
f |
A |
x-1,y,z |
1_455 |
15 |
7 |
25040 |
94.0 |
-0.9 |
0.556 |
3 |
0 |
0 |
0.004 |
| 22 |
22 |
|
[SCN]A:634 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
25040 |
93.5 |
-2.5 |
0.500 |
2 |
0 |
0 |
0.006 |
| 23 |
23 |
|
[SCN]A:633 |
3 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
25040 |
93.0 |
-2.0 |
0.606 |
0 |
0 |
0 |
0.004 |
| 24 |
24 |
|
[OSM]A:625 |
4 |
1 |
198 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
16 |
5 |
25040 |
90.8 |
-0.2 |
0.705 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[IOD]A:621 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
25040 |
89.4 |
0.1 |
0.787 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[EDO]A:612 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
25040 |
85.1 |
1.7 |
0.205 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[OSM]A:624 |
4 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
25040 |
84.5 |
-1.3 |
0.648 |
0 |
0 |
0 |
0.002 |
| 28 |
28 |
|
[SCN]A:631 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
25040 |
83.1 |
-3.7 |
0.343 |
1 |
0 |
0 |
0.008 |
| 29 |
29 |
|
[IOD]A:610 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
25040 |
82.9 |
0.5 |
0.865 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[GOL]A:638 |
5 |
1 |
219 |
f |
A |
x-1,y,z |
1_455 |
15 |
4 |
25040 |
79.4 |
-0.9 |
0.433 |
1 |
0 |
0 |
0.002 |
| 31 |
31 |
|
[OSM]A:625 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
25040 |
78.2 |
-1.6 |
0.643 |
1 |
0 |
0 |
0.004 |
| 32 |
32 |
|
[SCN]A:632 |
3 |
1 |
181 |
f |
A |
x-1,y,z |
1_455 |
14 |
6 |
25040 |
72.9 |
-2.8 |
0.417 |
1 |
0 |
0 |
0.006 |
| 33 |
33 |
|
[IOD]A:609 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
25040 |
72.6 |
-0.5 |
0.670 |
0 |
0 |
0 |
0.000 |
| 34 |
34 |
|
[IOD]A:608 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
25040 |
66.7 |
-0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[IOD]A:615 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
25040 |
65.5 |
-0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[IOD]A:614 |
1 |
1 |
144 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
25040 |
64.9 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
| 37 |
37 |
|
A |
6 |
4 |
25040 |
◊ |
[NAG]A:603 |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
354 |
63.7 |
0.7 |
0.200 |
0 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[IOD]A:619 |
1 |
1 |
144 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
25040 |
61.5 |
-0.3 |
0.660 |
0 |
0 |
0 |
0.000 |
| 39 |
39 |
|
[IOD]A:607 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
25040 |
61.3 |
-0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
| 40 |
40 |
|
A |
8 |
2 |
25040 |
x |
A |
x-1,y,z-1 |
1_454 |
7 |
3 |
25040 |
60.0 |
1.0 |
0.812 |
1 |
0 |
0 |
0.000 |
| 41 |
41 |
|
[IOD]A:616 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
25040 |
59.7 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
| 42 |
42 |
|
[OSM]A:623 |
4 |
1 |
200 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
25040 |
59.6 |
-1.9 |
0.275 |
0 |
0 |
0 |
0.000 |
| 43 |
43 |
|
[IOD]A:617 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
25040 |
58.7 |
-0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
| 44 |
44 |
|
[SCN]A:632 |
3 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25040 |
55.8 |
-1.0 |
0.575 |
1 |
0 |
0 |
0.000 |
| 45 |
45 |
|
A |
9 |
2 |
25040 |
◊ |
[OSM]A:624 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
200 |
55.7 |
-0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
| 46 |
46 |
|
[SCN]A:633 |
3 |
1 |
180 |
f |
[IOD]A:617 |
x,y,z |
1_555 |
1 |
1 |
144 |
54.9 |
-0.8 |
0.839 |
0 |
0 |
0 |
0.009 |
47 |
|
[SCN]A:635 |
3 |
1 |
181 |
f |
[IOD]A:608 |
x,y,z |
1_555 |
1 |
1 |
144 |
51.9 |
-0.8 |
0.839 |
0 |
0 |
0 |
0.009 |
48 |
|
[SCN]A:636 |
3 |
1 |
182 |
f |
[IOD]A:607 |
x,y,z |
1_555 |
1 |
1 |
144 |
51.7 |
-0.7 |
0.839 |
0 |
0 |
0 |
0.009 |
49 |
|
[SCN]A:630 |
3 |
1 |
181 |
f |
[IOD]A:609 |
x,y,z |
1_555 |
1 |
1 |
144 |
48.2 |
-0.6 |
0.839 |
0 |
0 |
0 |
0.009 |
50 |
|
[SCN]A:634 |
3 |
1 |
181 |
f |
[IOD]A:616 |
x,y,z |
1_555 |
1 |
1 |
144 |
46.5 |
-0.5 |
0.839 |
0 |
0 |
0 |
0.009 |
51 |
|
[SCN]A:631 |
3 |
1 |
181 |
f |
[IOD]A:606 |
x,y,z |
1_555 |
1 |
1 |
144 |
45.4 |
-0.7 |
0.839 |
0 |
0 |
0 |
0.009 |
52 |
|
[SCN]A:632 |
3 |
1 |
181 |
f |
[IOD]A:620 |
x,y,z |
1_555 |
1 |
1 |
144 |
39.3 |
-0.5 |
0.839 |
0 |
0 |
0 |
0.009 |
| Average: |
48.3 |
-0.7 |
0.839 |
0 |
0 |
0 |
0.009 |
| 47 |
53 |
|
[OSM]A:629 |
4 |
1 |
199 |
f |
[NAG]A:601 |
x,y,z |
1_555 |
8 |
1 |
354 |
54.3 |
0.6 |
0.251 |
0 |
0 |
0 |
0.000 |
| 48 |
54 |
|
[IOD]A:619 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25040 |
53.9 |
0.4 |
0.868 |
0 |
0 |
0 |
0.000 |
| 49 |
55 |
|
[IOD]A:614 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
25040 |
53.7 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[IOD]A:606 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
25040 |
51.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.001 |
| 51 |
57 |
|
[IOD]A:620 |
1 |
1 |
144 |
f |
A |
x-1,y,z |
1_455 |
15 |
6 |
25040 |
51.0 |
-0.3 |
0.703 |
0 |
0 |
0 |
0.000 |
| 52 |
58 |
|
[OSM]A:622 |
4 |
1 |
202 |
f |
[HEM]A:604 |
x,y,z |
1_555 |
12 |
1 |
838 |
49.2 |
-2.0 |
0.771 |
0 |
0 |
0 |
0.004 |
| 53 |
59 |
|
A |
7 |
4 |
25040 |
◊ |
[IOD]A:615 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
144 |
47.9 |
0.2 |
0.836 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
[PEO]A:618 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
25040 |
45.5 |
1.2 |
0.935 |
1 |
0 |
0 |
0.000 |
| 55 |
61 |
|
[PEO]A:618 |
2 |
1 |
124 |
cf |
[HEM]A:604 |
x,y,z |
1_555 |
16 |
1 |
838 |
38.1 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 56 |
62 |
|
[EDO]A:612 |
4 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
5 |
1 |
25040 |
37.4 |
1.0 |
0.698 |
0 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[IOD]A:620 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25040 |
37.0 |
-0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[OSM]A:626 |
1 |
1 |
200 |
f |
[NAG]A:601 |
x,y,z |
1_555 |
3 |
1 |
354 |
26.3 |
0.7 |
0.484 |
1 |
0 |
0 |
0.000 |
| 59 |
65 |
|
A |
2 |
1 |
25040 |
◊ |
[NAG]A:601 |
x-1,y,z |
1_455 |
4 |
1 |
354 |
25.9 |
0.0 |
0.176 |
0 |
0 |
0 |
0.000 |
| 60 |
66 |
|
A |
3 |
1 |
25040 |
◊ |
[OSM]A:627 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
200 |
24.2 |
-0.6 |
0.389 |
0 |
0 |
0 |
0.000 |
| 61 |
67 |
|
[OSM]A:622 |
2 |
1 |
202 |
f |
[PEO]A:618 |
x,y,z |
1_555 |
2 |
1 |
124 |
23.7 |
0.5 |
0.866 |
1 |
0 |
0 |
0.000 |
| 62 |
68 |
|
A |
2 |
1 |
25040 |
◊ |
[IOD]A:621 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
23.5 |
0.7 |
0.976 |
0 |
0 |
0 |
0.000 |
| 63 |
69 |
|
[IOD]A:610 |
1 |
1 |
144 |
f |
A |
-x,y-1/2,-z |
2_545 |
2 |
2 |
25040 |
23.4 |
-0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
| 64 |
70 |
|
A |
6 |
3 |
25040 |
◊ |
[OSM]A:629 |
x-1,y,z |
1_455 |
2 |
1 |
199 |
11.4 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| 65 |
71 |
|
[SCN]A:636 |
1 |
1 |
182 |
f |
[NAG]A:602 |
x,y,z |
1_555 |
1 |
1 |
357 |
9.1 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
| 66 |
72 |
|
A |
1 |
1 |
25040 |
f |
[EDO]A:613 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
182 |
3.9 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
| 67 |
73 |
|
A |
1 |
1 |
25040 |
◊ |
[OSM]A:628 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
198 |
3.6 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
| 68 |
74 |
|
A |
1 |
1 |
25040 |
◊ |
[SCN]A:634 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
181 |
3.5 |
-0.2 |
0.476 |
0 |
0 |
0 |
0.000 |
| 69 |
75 |
|
[OSM]A:624 |
1 |
1 |
200 |
f |
[NAG]A:603 |
x,y,z |
1_555 |
1 |
1 |
354 |
0.9 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
| 70 |
76 |
|
A |
1 |
1 |
25040 |
◊ |
[IOD]A:616 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
144 |
0.3 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
|