| ## |
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 |
164 |
48 |
20802 |
◊ |
A |
x,y,z |
1_555 |
159 |
45 |
20857 |
1493.1 |
-1.1 |
0.683 |
18 |
0 |
0 |
0.009 |
| 2 |
2 |
|
A |
94 |
27 |
20857 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
92 |
28 |
20857 |
777.8 |
-1.9 |
0.563 |
8 |
3 |
0 |
0.000 |
| 3 |
3 |
|
A |
59 |
21 |
20857 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
73 |
23 |
20802 |
627.1 |
-3.2 |
0.395 |
3 |
3 |
0 |
0.005 |
| 4 |
4 |
|
A |
57 |
15 |
20857 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
53 |
17 |
20802 |
460.2 |
-0.5 |
0.560 |
5 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
46 |
15 |
20802 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
46 |
17 |
20857 |
438.0 |
-2.1 |
0.428 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[BHZ]A:504 |
22 |
1 |
534 |
f |
A |
x,y,z |
1_555 |
55 |
16 |
20857 |
319.0 |
-3.7 |
0.290 |
4 |
0 |
0 |
0.015 |
7 |
|
[BHZ]B:504 |
22 |
1 |
535 |
f |
B |
x,y,z |
1_555 |
56 |
16 |
20802 |
315.0 |
-4.0 |
0.265 |
5 |
0 |
0 |
0.015 |
| Average: |
317.0 |
-3.8 |
0.277 |
5 |
0 |
0 |
0.015 |
| 7 |
8 |
|
A |
19 |
7 |
20857 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
5 |
20802 |
178.6 |
-1.1 |
0.400 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[DTV]B:507 |
8 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
20802 |
177.1 |
-2.7 |
0.469 |
2 |
0 |
0 |
0.009 |
| 9 |
10 |
|
[DTU]A:513 |
8 |
1 |
284 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
20857 |
165.0 |
-3.6 |
0.429 |
3 |
0 |
0 |
0.010 |
| 10 |
11 |
|
B |
14 |
7 |
20802 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
7 |
20802 |
150.0 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[GOL]A:516 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
20857 |
128.7 |
-0.7 |
0.485 |
4 |
0 |
0 |
0.005 |
| 12 |
13 |
|
[GOL]B:508 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
20802 |
126.3 |
-0.7 |
0.494 |
4 |
0 |
0 |
0.006 |
| 13 |
14 |
|
[GOL]A:515 |
6 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
20857 |
122.7 |
-0.0 |
0.601 |
4 |
0 |
0 |
0.004 |
| 14 |
15 |
|
[GOL]B:509 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20802 |
103.7 |
-0.0 |
0.603 |
2 |
0 |
0 |
0.002 |
| 15 |
16 |
|
[ACT]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
20857 |
98.5 |
0.8 |
0.747 |
2 |
0 |
0 |
0.000 |
| 16 |
17 |
|
B |
13 |
6 |
20802 |
f |
[GOL]A:510 |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
1 |
215 |
97.0 |
-1.3 |
0.346 |
2 |
0 |
0 |
0.005 |
| 17 |
18 |
|
[ACT]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
20857 |
89.4 |
-0.3 |
0.664 |
1 |
0 |
0 |
0.001 |
| 18 |
19 |
|
[GOL]A:510 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
20857 |
88.3 |
-0.7 |
0.444 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
A |
13 |
5 |
20857 |
◊ |
[ACT]A:507 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
182 |
86.2 |
-0.7 |
0.552 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[ACT]A:517 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
20857 |
84.3 |
0.5 |
0.798 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[DTU]A:514 |
6 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
20857 |
76.9 |
-0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20802 |
71.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.026 |
| 23 |
24 |
|
A |
15 |
6 |
20857 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
20802 |
70.6 |
2.1 |
0.858 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[SO4]A:509 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
20857 |
70.3 |
-9.0 |
0.897 |
4 |
0 |
0 |
0.022 |
| 25 |
26 |
|
[ACT]A:507 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20857 |
63.6 |
-0.8 |
0.583 |
1 |
0 |
0 |
0.003 |
| 26 |
27 |
|
[ACT]A:506 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20857 |
62.2 |
-0.1 |
0.691 |
1 |
0 |
0 |
0.001 |
| 27 |
28 |
|
[SO4]A:509 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
20802 |
56.6 |
-7.1 |
0.904 |
2 |
0 |
0 |
0.008 |
| 28 |
29 |
|
[CL]A:512 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20857 |
53.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| 29 |
30 |
|
[BHZ]A:504 |
5 |
1 |
534 |
f |
[FE2]A:503 |
x,y,z |
1_555 |
1 |
1 |
137 |
52.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.022 |
31 |
|
[BHZ]B:504 |
5 |
1 |
535 |
f |
[FE2]B:503 |
x,y,z |
1_555 |
1 |
1 |
137 |
50.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
51.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.022 |
| 30 |
32 |
|
[GOL]A:515 |
5 |
1 |
213 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
3 |
20857 |
43.3 |
0.1 |
0.634 |
1 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[FE2]A:503 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
20857 |
41.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.011 |
34 |
|
[FE2]B:503 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
20802 |
40.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
41.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| 32 |
35 |
|
[CL]A:512 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
20802 |
41.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 33 |
36 |
|
[ACT]A:508 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
20802 |
37.5 |
-0.5 |
0.618 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[DTU]A:513 |
4 |
1 |
284 |
f |
[GOL]A:516 |
x,y,z |
1_555 |
2 |
1 |
220 |
37.1 |
0.4 |
0.624 |
1 |
0 |
0 |
0.000 |
| 35 |
38 |
|
B |
7 |
4 |
20802 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
20802 |
35.3 |
1.0 |
0.838 |
1 |
1 |
0 |
0.000 |
| 36 |
39 |
|
[DTV]B:507 |
3 |
1 |
299 |
f |
[GOL]B:508 |
x,y,z |
1_555 |
2 |
1 |
217 |
33.8 |
0.7 |
0.581 |
1 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[GOL]A:516 |
1 |
1 |
220 |
f |
[BHZ]A:504 |
x,y,z |
1_555 |
1 |
1 |
534 |
17.7 |
-0.1 |
0.374 |
0 |
0 |
0 |
0.000 |
41 |
|
[GOL]B:508 |
2 |
1 |
217 |
f |
[BHZ]B:504 |
x,y,z |
1_555 |
2 |
1 |
535 |
15.9 |
-0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
| Average: |
16.8 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[GOL]B:509 |
2 |
1 |
218 |
f |
[BHZ]B:504 |
x,y,z |
1_555 |
4 |
1 |
535 |
16.1 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[ACT]A:517 |
2 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
20802 |
12.6 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[DTU]A:514 |
2 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
20802 |
12.5 |
-0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
A |
1 |
1 |
20857 |
◊ |
[CL]A:512 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
9.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
46 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
[GOL]B:508 |
x,y,z |
1_555 |
2 |
1 |
217 |
8.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 43 |
47 |
|
[GOL]B:509 |
2 |
1 |
218 |
f |
[FE2]B:503 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
| 44 |
48 |
|
[DTV]B:507 |
1 |
1 |
299 |
f |
[GOL]B:509 |
x,y,z |
1_555 |
1 |
1 |
218 |
3.2 |
-0.2 |
0.354 |
0 |
0 |
0 |
0.000 |
| 45 |
49 |
|
[DTV]B:507 |
2 |
1 |
299 |
f |
[CL]B:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|