| ## |
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 |
103 |
32 |
18454 |
◊ |
A |
x,y,z |
1_555 |
102 |
32 |
18424 |
932.8 |
-0.9 |
0.729 |
26 |
0 |
0 |
0.116 |
| 2 |
2 |
|
[HEM]A:501 |
43 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
81 |
30 |
18424 |
630.2 |
-18.0 |
0.650 |
8 |
0 |
0 |
0.398 |
3 |
|
[HEM]B:501 |
43 |
1 |
808 |
f |
B |
x,y,z |
1_555 |
77 |
30 |
18454 |
628.5 |
-18.0 |
0.654 |
7 |
0 |
0 |
0.398 |
| Average: |
629.4 |
-18.0 |
0.652 |
8 |
0 |
0 |
0.398 |
| 3 |
4 |
|
B |
54 |
21 |
18454 |
◊ |
A |
x,y-1,z |
1_545 |
53 |
21 |
18424 |
495.5 |
-7.3 |
0.096 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
39 |
16 |
18424 |
x |
A |
x-1,y,z |
1_455 |
38 |
11 |
18424 |
352.0 |
0.8 |
0.705 |
5 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
32 |
11 |
18424 |
x |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
38 |
13 |
18424 |
275.0 |
-2.6 |
0.360 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
25 |
12 |
18454 |
x |
B |
x-1/2,-y-3/2,-z |
4_435 |
20 |
9 |
18454 |
211.8 |
-1.2 |
0.480 |
1 |
2 |
0 |
0.000 |
| 7 |
8 |
|
B |
17 |
8 |
18454 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
6 |
18424 |
175.6 |
0.5 |
0.575 |
3 |
1 |
0 |
0.000 |
| 8 |
9 |
|
[ACT]A:513 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
18424 |
124.7 |
-0.4 |
0.695 |
1 |
0 |
0 |
0.008 |
| 9 |
10 |
|
[ACT]A:508 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
18424 |
122.9 |
-1.5 |
0.387 |
1 |
0 |
0 |
0.018 |
| 10 |
11 |
|
B |
16 |
5 |
18454 |
◊ |
A |
x-1,y-1,z |
1_445 |
11 |
2 |
18424 |
119.7 |
1.8 |
0.861 |
3 |
6 |
0 |
0.000 |
| 11 |
12 |
|
[ACT]A:517 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
18424 |
118.7 |
-2.9 |
0.225 |
0 |
0 |
0 |
0.027 |
| 12 |
13 |
|
[ACT]B:507 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
18454 |
117.6 |
-2.7 |
0.212 |
0 |
0 |
0 |
0.025 |
| 13 |
14 |
|
[ACT]A:522 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
18424 |
114.4 |
1.3 |
0.826 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[ACT]B:508 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
18454 |
113.8 |
-0.4 |
0.674 |
2 |
0 |
0 |
0.012 |
| 15 |
16 |
|
[ACT]B:512 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
18454 |
112.2 |
1.2 |
0.864 |
2 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[ACT]B:506 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
18454 |
111.8 |
-1.7 |
0.456 |
1 |
0 |
0 |
0.020 |
| 17 |
18 |
|
[ACT]A:518 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
18424 |
110.0 |
-0.5 |
0.661 |
2 |
0 |
0 |
0.013 |
| 18 |
19 |
|
[ACT]B:513 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
18454 |
109.7 |
-0.5 |
0.656 |
2 |
0 |
0 |
0.013 |
| 19 |
20 |
|
[ACT]A:521 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
18424 |
109.1 |
-0.8 |
0.586 |
3 |
0 |
0 |
0.020 |
| 20 |
21 |
|
[ACT]A:503 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
18424 |
107.5 |
-0.7 |
0.631 |
1 |
0 |
0 |
0.011 |
| 21 |
22 |
|
[ACT]A:523 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
18424 |
106.7 |
1.0 |
0.743 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[ACT]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
18454 |
105.8 |
-0.6 |
0.629 |
2 |
0 |
0 |
0.014 |
| 23 |
24 |
|
[ACT]A:507 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
18424 |
105.6 |
-1.6 |
0.424 |
1 |
0 |
0 |
0.019 |
| 24 |
25 |
|
[ACT]B:514 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
18454 |
101.0 |
-1.0 |
0.573 |
0 |
0 |
0 |
0.009 |
| 25 |
26 |
|
[ACT]A:525 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
18424 |
100.9 |
-0.3 |
0.680 |
0 |
0 |
0 |
0.003 |
| 26 |
27 |
|
[ACT]B:509 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18454 |
99.1 |
-0.9 |
0.549 |
2 |
0 |
0 |
0.017 |
| 27 |
28 |
|
[ACT]A:511 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
18424 |
97.3 |
-0.8 |
0.609 |
0 |
0 |
0 |
0.007 |
| 28 |
29 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
18424 |
96.8 |
-1.5 |
0.448 |
0 |
0 |
0 |
0.014 |
| 29 |
30 |
|
[ACT]A:510 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
18424 |
92.5 |
0.2 |
0.761 |
3 |
0 |
0 |
0.011 |
| 30 |
31 |
|
A |
12 |
8 |
18424 |
f |
[ACT]A:519 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
183 |
92.3 |
-0.6 |
0.474 |
1 |
0 |
0 |
0.010 |
| 31 |
32 |
|
[ACT]A:526 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18424 |
89.9 |
-1.0 |
0.516 |
0 |
0 |
0 |
0.009 |
| 32 |
33 |
|
[ACT]A:505 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
18424 |
88.9 |
-0.3 |
0.680 |
1 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[ACT]A:520 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
18424 |
88.7 |
-0.7 |
0.573 |
0 |
0 |
0 |
0.006 |
| 34 |
35 |
|
[ACT]A:514 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
18424 |
81.3 |
-0.0 |
0.704 |
2 |
0 |
0 |
0.009 |
| 35 |
36 |
|
[ACT]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
18454 |
79.7 |
-0.3 |
0.653 |
2 |
0 |
0 |
0.011 |
| 36 |
37 |
|
[ACT]A:509 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
18424 |
75.3 |
-0.3 |
0.600 |
4 |
0 |
0 |
0.020 |
| 37 |
38 |
|
[ACT]B:511 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
18454 |
75.0 |
0.5 |
0.779 |
1 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[ACT]A:527 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
18424 |
74.4 |
-0.4 |
0.638 |
1 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[ACT]A:512 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
18424 |
73.8 |
0.3 |
0.763 |
1 |
0 |
0 |
0.001 |
| 40 |
41 |
|
[ACT]A:506 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
18424 |
73.3 |
0.4 |
0.812 |
1 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[ACT]B:510 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
18454 |
69.5 |
0.9 |
0.815 |
1 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[ACT]B:504 |
3 |
1 |
182 |
f |
A |
x-1,y,z |
1_455 |
6 |
5 |
18424 |
67.0 |
-0.8 |
0.533 |
0 |
0 |
0 |
0.007 |
| 43 |
44 |
|
[ACT]A:515 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
18424 |
66.6 |
0.5 |
0.793 |
1 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[MN]A:502 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18424 |
66.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.090 |
46 |
|
[MN]B:502 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18454 |
65.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
65.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.090 |
| 45 |
47 |
|
[ACT]A:524 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18424 |
65.6 |
-0.2 |
0.560 |
1 |
0 |
0 |
0.006 |
| 46 |
48 |
|
A |
6 |
4 |
18424 |
f |
[ACT]A:515 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
63.7 |
-0.3 |
0.678 |
0 |
0 |
0 |
0.003 |
| 47 |
49 |
|
[ACT]B:515 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
18454 |
63.3 |
0.5 |
0.739 |
0 |
0 |
0 |
0.000 |
| 48 |
50 |
|
A |
8 |
4 |
18424 |
f |
[ACT]A:516 |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
184 |
58.2 |
-0.9 |
0.574 |
0 |
0 |
0 |
0.008 |
| 49 |
51 |
|
[ACT]A:519 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
18424 |
55.1 |
-0.5 |
0.611 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[ACT]A:509 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
18454 |
54.1 |
-1.0 |
0.439 |
0 |
0 |
0 |
0.009 |
| 51 |
53 |
|
[ACT]B:510 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
18424 |
53.1 |
0.7 |
0.820 |
1 |
0 |
0 |
0.000 |
| 52 |
54 |
|
[ACT]B:503 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
18424 |
52.6 |
-1.1 |
0.430 |
0 |
0 |
0 |
0.010 |
| 53 |
55 |
|
[ACT]A:504 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
18454 |
51.8 |
-0.4 |
0.672 |
0 |
0 |
0 |
0.004 |
| 54 |
56 |
|
A |
7 |
3 |
18424 |
◊ |
[ACT]A:524 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
183 |
48.9 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| 55 |
57 |
|
[ACT]A:516 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
18424 |
46.3 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| 56 |
58 |
|
[ACT]A:527 |
1 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
5 |
1 |
18424 |
42.8 |
-1.3 |
0.225 |
0 |
0 |
0 |
0.012 |
| 57 |
59 |
|
[ACT]B:515 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
18424 |
42.1 |
-0.2 |
0.680 |
0 |
0 |
0 |
0.002 |
| 58 |
60 |
|
[ACT]B:504 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
18454 |
41.1 |
0.6 |
0.803 |
0 |
0 |
0 |
0.000 |
| 59 |
61 |
|
[ACT]A:505 |
4 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
3 |
2 |
18424 |
40.8 |
-0.9 |
0.307 |
0 |
0 |
0 |
0.009 |
| 60 |
62 |
|
[ACT]B:504 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
18424 |
40.1 |
-0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
| 61 |
63 |
|
[ACT]A:506 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
18454 |
38.6 |
-0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
| 62 |
64 |
|
[ACT]A:506 |
1 |
1 |
182 |
f |
A |
x-1,y,z |
1_455 |
4 |
1 |
18424 |
32.9 |
0.2 |
0.483 |
0 |
0 |
0 |
0.000 |
| 63 |
65 |
|
[ACT]A:508 |
3 |
1 |
183 |
f |
[ACT]A:507 |
x,y,z |
1_555 |
3 |
1 |
183 |
32.5 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
| 64 |
66 |
|
[ACT]B:511 |
4 |
1 |
183 |
f |
[ACT]A:509 |
x,y,z |
1_555 |
2 |
1 |
183 |
29.2 |
-0.3 |
0.637 |
0 |
0 |
0 |
0.003 |
| 65 |
67 |
|
[ACT]B:514 |
4 |
1 |
183 |
f |
[MN]B:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
26.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 66 |
68 |
|
[ACT]A:527 |
3 |
1 |
183 |
◊ |
[ACT]A:520 |
x,y,z |
1_555 |
2 |
1 |
184 |
25.0 |
0.4 |
0.718 |
0 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[ACT]A:522 |
3 |
1 |
183 |
f |
[ACT]A:510 |
x,y,z |
1_555 |
1 |
1 |
184 |
24.4 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.004 |
| 68 |
70 |
|
[ACT]A:520 |
3 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
18424 |
20.3 |
-0.4 |
0.522 |
0 |
0 |
0 |
0.000 |
| 69 |
71 |
|
[ACT]B:503 |
3 |
1 |
183 |
f |
[ACT]A:512 |
x,y,z |
1_555 |
3 |
1 |
183 |
20.2 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.001 |
| 70 |
72 |
|
[ACT]A:527 |
3 |
1 |
183 |
f |
[ACT]A:505 |
x,y,z |
1_555 |
1 |
1 |
183 |
18.4 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
| 71 |
73 |
|
[ACT]A:513 |
2 |
1 |
183 |
f |
[ACT]A:510 |
x,y,z |
1_555 |
1 |
1 |
184 |
18.4 |
0.3 |
0.866 |
0 |
0 |
0 |
0.000 |
| 72 |
74 |
|
B |
3 |
2 |
18454 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
18454 |
15.9 |
0.4 |
0.739 |
0 |
0 |
0 |
0.000 |
| 73 |
75 |
|
[ACT]B:511 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18424 |
14.8 |
-0.2 |
0.291 |
0 |
0 |
0 |
0.001 |
| 74 |
76 |
|
[ACT]B:515 |
3 |
1 |
183 |
◊ |
[ACT]A:512 |
x,y,z |
1_555 |
1 |
1 |
183 |
11.2 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 75 |
77 |
|
[ACT]B:510 |
2 |
1 |
182 |
f |
[ACT]A:506 |
x,y,z |
1_555 |
1 |
1 |
182 |
10.7 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
| 76 |
78 |
|
[ACT]A:525 |
1 |
1 |
183 |
f |
[ACT]A:524 |
x,y,z |
1_555 |
1 |
1 |
183 |
9.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 77 |
79 |
|
[ACT]B:504 |
1 |
1 |
182 |
f |
[ACT]A:506 |
x,y,z |
1_555 |
1 |
1 |
182 |
7.5 |
-0.2 |
0.500 |
0 |
0 |
0 |
0.002 |
| 78 |
80 |
|
[ACT]A:512 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
18454 |
5.4 |
-0.0 |
0.377 |
0 |
0 |
0 |
0.000 |
| 79 |
81 |
|
[ACT]B:504 |
1 |
1 |
182 |
f |
[ACT]A:505 |
x,y,z |
1_555 |
1 |
1 |
183 |
1.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 80 |
82 |
|
[ACT]A:525 |
1 |
1 |
183 |
f |
[ACT]A:511 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.2 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|