| ## |
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 |
266 |
71 |
20166 |
◊ |
A |
x,y,z |
1_555 |
264 |
70 |
20286 |
2588.1 |
-35.2 |
0.015 |
39 |
10 |
0 |
0.528 |
| 2 |
2 |
|
A |
70 |
19 |
20286 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
67 |
20 |
20166 |
672.8 |
-0.6 |
0.729 |
16 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:750 |
43 |
1 |
823 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20166 |
513.6 |
-17.9 |
0.334 |
3 |
0 |
0 |
0.368 |
4 |
|
[HEM]A:750 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
20286 |
508.2 |
-17.4 |
0.333 |
2 |
0 |
0 |
0.368 |
| Average: |
510.9 |
-17.7 |
0.333 |
3 |
0 |
0 |
0.368 |
| 4 |
5 |
|
B |
51 |
15 |
20166 |
x |
B |
x-1,y,z |
1_455 |
56 |
15 |
20166 |
483.1 |
-1.5 |
0.613 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[JSS]B:800 |
26 |
1 |
656 |
f |
B |
x,y,z |
1_555 |
43 |
18 |
20166 |
315.6 |
5.4 |
0.303 |
3 |
0 |
0 |
0.000 |
7 |
|
[JSS]A:800 |
21 |
1 |
653 |
f |
A |
x,y,z |
1_555 |
41 |
18 |
20286 |
308.2 |
5.6 |
0.425 |
3 |
0 |
0 |
0.000 |
| Average: |
311.9 |
5.5 |
0.364 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
42 |
12 |
20166 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
9 |
20286 |
303.4 |
-1.7 |
0.549 |
1 |
1 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
20286 |
172.5 |
2.1 |
0.459 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]B:760 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
20166 |
168.8 |
1.9 |
0.469 |
2 |
0 |
0 |
0.000 |
| Average: |
170.7 |
2.0 |
0.464 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[JSS]B:800 |
17 |
1 |
656 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
31 |
1 |
823 |
168.7 |
-0.5 |
0.451 |
1 |
0 |
0 |
0.023 |
12 |
|
[JSS]A:800 |
16 |
1 |
653 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
33 |
1 |
814 |
164.6 |
-0.9 |
0.462 |
1 |
0 |
0 |
0.023 |
| Average: |
166.6 |
-0.7 |
0.456 |
1 |
0 |
0 |
0.023 |
| 9 |
13 |
|
A |
20 |
11 |
20286 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
7 |
20166 |
166.5 |
0.6 |
0.743 |
0 |
2 |
0 |
0.000 |
| 10 |
14 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20166 |
117.0 |
-1.5 |
0.499 |
1 |
0 |
0 |
0.019 |
| 11 |
15 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20286 |
114.1 |
-1.4 |
0.483 |
1 |
0 |
0 |
0.019 |
| 12 |
16 |
|
[H4B]B:760 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20286 |
110.3 |
-0.2 |
0.268 |
1 |
0 |
0 |
0.012 |
17 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20166 |
108.8 |
-0.1 |
0.262 |
1 |
0 |
0 |
0.012 |
| Average: |
109.6 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.012 |
| 13 |
18 |
|
[GOL]A:880 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20286 |
71.2 |
0.3 |
0.630 |
1 |
0 |
0 |
0.001 |
| 14 |
19 |
|
[GOL]A:719 |
6 |
1 |
213 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
20286 |
70.7 |
0.4 |
0.724 |
3 |
0 |
0 |
0.009 |
| 15 |
20 |
|
[GOL]A:719 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
20166 |
62.0 |
0.2 |
0.691 |
3 |
0 |
0 |
0.011 |
| 16 |
21 |
|
[GOL]A:880 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20166 |
58.9 |
-0.5 |
0.504 |
0 |
0 |
0 |
0.005 |
| 17 |
22 |
|
[H4B]B:760 |
6 |
1 |
397 |
f |
[GOL]A:719 |
x,y,z |
1_555 |
4 |
1 |
213 |
44.0 |
-0.1 |
0.307 |
3 |
0 |
0 |
0.014 |
| 18 |
23 |
|
[H4B]A:760 |
5 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
6 |
1 |
814 |
42.7 |
-1.1 |
0.454 |
2 |
0 |
0 |
0.041 |
24 |
|
[H4B]B:760 |
5 |
1 |
397 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
823 |
42.5 |
-1.3 |
0.425 |
2 |
0 |
0 |
0.041 |
| Average: |
42.6 |
-1.2 |
0.440 |
2 |
0 |
0 |
0.041 |
| 19 |
25 |
|
[JSS]A:800 |
9 |
1 |
653 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
3 |
1 |
216 |
41.0 |
0.1 |
0.162 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[H4B]A:760 |
6 |
1 |
400 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
5 |
1 |
216 |
40.7 |
-0.1 |
0.256 |
3 |
0 |
0 |
0.014 |
| 21 |
27 |
|
[JSS]B:800 |
4 |
1 |
656 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
20286 |
39.7 |
-0.9 |
0.169 |
0 |
0 |
0 |
0.020 |
28 |
|
[JSS]A:800 |
4 |
1 |
653 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
20166 |
38.8 |
-1.1 |
0.122 |
0 |
0 |
0 |
0.020 |
| Average: |
39.2 |
-1.0 |
0.145 |
0 |
0 |
0 |
0.020 |
| 22 |
29 |
|
[ACT]A:860 |
1 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
814 |
36.6 |
-1.2 |
0.489 |
0 |
0 |
0 |
0.011 |
| 23 |
30 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20166 |
35.2 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.285 |
31 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
20286 |
34.6 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.285 |
| Average: |
34.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.285 |
| 24 |
32 |
|
[ACT]B:860 |
1 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
823 |
33.3 |
-1.1 |
0.492 |
0 |
0 |
0 |
0.010 |
| 25 |
33 |
|
[JSS]B:800 |
6 |
1 |
656 |
f |
[GOL]A:719 |
x,y,z |
1_555 |
3 |
1 |
213 |
29.8 |
-0.2 |
0.222 |
0 |
0 |
0 |
0.002 |
| 26 |
34 |
|
B |
1 |
1 |
20166 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20166 |
26.3 |
1.5 |
0.929 |
1 |
0 |
0 |
0.000 |
| 27 |
35 |
|
A |
3 |
1 |
20286 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20166 |
17.3 |
0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[JSS]B:800 |
3 |
1 |
656 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
397 |
12.5 |
0.1 |
0.225 |
0 |
0 |
0 |
0.000 |
37 |
|
[JSS]A:800 |
3 |
1 |
653 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
400 |
11.4 |
0.2 |
0.239 |
0 |
0 |
0 |
0.000 |
| Average: |
11.9 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
A |
2 |
1 |
20286 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20286 |
8.5 |
-0.3 |
0.313 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[GOL]A:880 |
1 |
1 |
216 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
1 |
1 |
814 |
1.1 |
-0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
|