| ## |
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 |
94 |
25 |
9677 |
◊ |
A |
x,y,z |
1_555 |
89 |
25 |
9579 |
951.9 |
-16.3 |
0.097 |
11 |
10 |
0 |
0.403 |
| 2 |
2 |
|
B |
60 |
16 |
9677 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
56 |
16 |
9677 |
465.7 |
1.6 |
0.848 |
10 |
9 |
0 |
0.000 |
| 3 |
3 |
|
B |
40 |
10 |
9677 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
43 |
14 |
9579 |
344.4 |
-1.6 |
0.644 |
7 |
5 |
0 |
0.000 |
| 4 |
4 |
|
B |
37 |
11 |
9677 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
25 |
9 |
9579 |
282.7 |
-1.9 |
0.623 |
5 |
2 |
0 |
0.000 |
| 5 |
5 |
|
A |
34 |
10 |
9579 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
22 |
11 |
9677 |
247.2 |
-0.6 |
0.650 |
2 |
2 |
0 |
0.000 |
| 6 |
6 |
|
A |
13 |
4 |
9579 |
x |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
21 |
7 |
9579 |
127.6 |
1.5 |
0.910 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
18 |
7 |
9677 |
x |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
4 |
9677 |
127.4 |
-2.7 |
0.214 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
9677 |
124.1 |
2.1 |
0.422 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
14 |
8 |
9579 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
6 |
9677 |
122.4 |
0.7 |
0.831 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[EDO]B:508 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
9677 |
119.1 |
2.9 |
0.433 |
3 |
0 |
0 |
0.000 |
| 11 |
11 |
|
A |
12 |
5 |
9579 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
12 |
4 |
9677 |
118.7 |
-1.4 |
0.465 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]A:507 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
9579 |
117.4 |
2.5 |
0.451 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]A:504 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
9579 |
116.7 |
3.2 |
0.697 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]B:509 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
10 |
9677 |
108.3 |
2.5 |
0.443 |
2 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]B:510 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
9677 |
108.0 |
2.7 |
0.635 |
4 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[EDO]A:510 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
9579 |
100.2 |
2.3 |
0.490 |
2 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
9579 |
97.3 |
3.5 |
0.761 |
3 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]B:512 |
4 |
1 |
183 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
6 |
9677 |
90.1 |
2.2 |
0.299 |
2 |
0 |
0 |
0.000 |
| 19 |
19 |
|
B |
19 |
6 |
9677 |
◊ |
[EDO]B:505 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
183 |
90.0 |
3.0 |
0.541 |
2 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[EDO]B:511 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
9677 |
89.5 |
2.7 |
0.533 |
4 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[EDO]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
9579 |
85.5 |
2.1 |
0.510 |
2 |
0 |
0 |
0.000 |
| 22 |
22 |
|
B |
15 |
7 |
9677 |
◊ |
[EDO]A:509 |
-x,y-1/2,-z+3/2 |
3_546 |
3 |
1 |
186 |
85.5 |
2.8 |
0.600 |
1 |
0 |
0 |
0.000 |
| 23 |
23 |
|
B |
9 |
3 |
9677 |
◊ |
[EDO]A:505 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
185 |
81.6 |
3.0 |
0.567 |
2 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9579 |
79.1 |
1.1 |
0.241 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[EDO]B:506 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
9677 |
72.9 |
2.0 |
0.475 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[EDO]B:513 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
9677 |
69.2 |
1.5 |
0.297 |
2 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[EDO]B:507 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9677 |
69.2 |
2.4 |
0.586 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[EDO]A:508 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
9677 |
62.6 |
1.2 |
0.176 |
0 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[EDO]B:513 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9579 |
60.8 |
1.3 |
0.221 |
1 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[EDO]A:509 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9579 |
59.8 |
1.8 |
0.896 |
2 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[EDO]B:511 |
4 |
1 |
186 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
4 |
9677 |
55.5 |
1.3 |
0.751 |
1 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[PER]A:503 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
9579 |
55.3 |
0.3 |
0.800 |
0 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[FE]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9677 |
55.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.350 |
34 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9579 |
48.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.350 |
| Average: |
52.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.350 |
| 34 |
35 |
|
[EDO]B:505 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
9677 |
50.1 |
1.0 |
0.736 |
1 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[FE]B:502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
9677 |
49.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.322 |
37 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9579 |
44.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.322 |
| Average: |
46.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.322 |
| 36 |
38 |
|
[EDO]B:507 |
3 |
1 |
183 |
f |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
3 |
9579 |
48.9 |
1.3 |
0.926 |
2 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[EDO]B:506 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9579 |
42.1 |
0.5 |
0.698 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[EDO]B:507 |
3 |
1 |
183 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
9677 |
40.9 |
0.5 |
0.280 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[EDO]B:512 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
9677 |
38.7 |
0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[EDO]B:513 |
2 |
1 |
184 |
◊ |
[EDO]B:506 |
x,y,z |
1_555 |
2 |
1 |
184 |
30.7 |
1.8 |
0.500 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[EDO]B:512 |
3 |
1 |
183 |
◊ |
A |
-x,y-1/2,-z+3/2 |
3_546 |
3 |
3 |
9579 |
28.7 |
1.0 |
0.785 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[EDO]A:510 |
2 |
1 |
183 |
f |
[EDO]A:506 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.1 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[FE]B:502 |
1 |
1 |
137 |
f |
[FE]B:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.096 |
| 44 |
46 |
|
[PER]A:503 |
2 |
1 |
124 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| 45 |
47 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.081 |
| 46 |
48 |
|
[EDO]B:510 |
2 |
1 |
185 |
f |
[EDO]B:504 |
x,y,z |
1_555 |
2 |
1 |
183 |
21.0 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[EDO]B:509 |
2 |
1 |
184 |
◊ |
[EDO]B:504 |
x,y,z |
1_555 |
2 |
1 |
183 |
20.8 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 48 |
50 |
|
[PER]A:503 |
2 |
1 |
124 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 49 |
51 |
|
A |
3 |
1 |
9579 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
2 |
9579 |
16.8 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[EDO]A:510 |
2 |
1 |
183 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 51 |
53 |
|
[EDO]B:509 |
2 |
1 |
184 |
f |
[EDO]B:506 |
x,y,z |
1_555 |
2 |
1 |
184 |
14.3 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
[EDO]B:510 |
2 |
1 |
185 |
f |
[FE]B:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
13.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 53 |
55 |
|
[EDO]A:504 |
1 |
1 |
184 |
f |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
9677 |
13.3 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
| 54 |
56 |
|
[EDO]A:510 |
2 |
1 |
183 |
f |
[PER]A:503 |
x,y,z |
1_555 |
1 |
1 |
124 |
13.2 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 55 |
57 |
|
A |
1 |
1 |
9579 |
f |
[EDO]B:506 |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
184 |
4.3 |
0.1 |
0.898 |
0 |
0 |
0 |
0.000 |
| 56 |
58 |
|
[EDO]B:511 |
1 |
1 |
186 |
f |
[EDO]B:505 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
183 |
3.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 57 |
59 |
|
B |
2 |
1 |
9677 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
9579 |
2.1 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
| 58 |
60 |
|
B |
1 |
1 |
9677 |
◊ |
[EDO]A:504 |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
184 |
1.7 |
0.1 |
0.864 |
0 |
0 |
0 |
0.000 |
|