| ## |
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 |
293 |
73 |
20027 |
◊ |
A |
x,y,z |
1_555 |
290 |
75 |
19851 |
2775.0 |
-36.8 |
0.021 |
32 |
9 |
0 |
0.421 |
| 2 |
2 |
|
A |
96 |
28 |
19851 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
90 |
29 |
20027 |
744.9 |
-2.5 |
0.686 |
7 |
8 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:501 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
76 |
23 |
19851 |
508.5 |
-17.3 |
0.324 |
1 |
0 |
0 |
0.286 |
4 |
|
[HEM]B:501 |
43 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
76 |
25 |
20027 |
503.7 |
-17.3 |
0.309 |
1 |
0 |
0 |
0.286 |
| Average: |
506.1 |
-17.3 |
0.317 |
1 |
0 |
0 |
0.286 |
| 4 |
5 |
|
A |
54 |
17 |
19851 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
14 |
19851 |
443.1 |
-4.2 |
0.377 |
1 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
40 |
12 |
20027 |
x |
B |
x-1,y,z |
1_455 |
34 |
9 |
20027 |
311.1 |
-2.6 |
0.439 |
1 |
1 |
0 |
0.000 |
| 6 |
7 |
|
[Q13]A:503 |
25 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
42 |
19 |
19851 |
308.9 |
-1.8 |
0.549 |
4 |
0 |
0 |
0.058 |
8 |
|
[Q13]B:503 |
25 |
1 |
621 |
f |
B |
x,y,z |
1_555 |
42 |
19 |
20027 |
299.9 |
-1.8 |
0.553 |
4 |
0 |
0 |
0.058 |
| Average: |
304.4 |
-1.8 |
0.551 |
4 |
0 |
0 |
0.058 |
| 7 |
9 |
|
[H4B]B:502 |
17 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
20027 |
176.0 |
2.5 |
0.512 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:502 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
19851 |
174.3 |
2.5 |
0.527 |
2 |
0 |
0 |
0.000 |
| Average: |
175.1 |
2.5 |
0.519 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[Q13]A:503 |
18 |
1 |
626 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
33 |
1 |
822 |
159.2 |
-5.2 |
0.804 |
3 |
0 |
0 |
0.106 |
12 |
|
[Q13]B:503 |
18 |
1 |
621 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
32 |
1 |
813 |
157.8 |
-5.3 |
0.799 |
3 |
0 |
0 |
0.106 |
| Average: |
158.5 |
-5.2 |
0.802 |
3 |
0 |
0 |
0.106 |
| 9 |
13 |
|
[H4B]B:502 |
13 |
1 |
394 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19851 |
112.5 |
-0.2 |
0.269 |
1 |
0 |
0 |
0.009 |
14 |
|
[H4B]A:502 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20027 |
111.8 |
-0.1 |
0.290 |
1 |
0 |
0 |
0.009 |
| Average: |
112.2 |
-0.1 |
0.280 |
1 |
0 |
0 |
0.009 |
| 10 |
15 |
|
[ACT]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20027 |
111.1 |
-1.3 |
0.502 |
2 |
0 |
0 |
0.018 |
| 11 |
16 |
|
[ACT]A:504 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19851 |
109.8 |
-1.3 |
0.501 |
2 |
0 |
0 |
0.018 |
| 12 |
17 |
|
[ACT]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
19851 |
87.7 |
1.3 |
0.867 |
3 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[ACT]B:505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20027 |
86.9 |
1.2 |
0.864 |
4 |
0 |
0 |
0.004 |
| 14 |
19 |
|
[GOL]A:506 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19851 |
85.1 |
0.3 |
0.620 |
3 |
0 |
0 |
0.008 |
| 15 |
20 |
|
[GOL]B:506 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20027 |
83.1 |
0.5 |
0.660 |
3 |
0 |
0 |
0.007 |
| 16 |
21 |
|
B |
12 |
4 |
20027 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
5 |
19851 |
66.1 |
-0.9 |
0.432 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[GOL]A:506 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20027 |
57.1 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[GOL]B:506 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19851 |
56.2 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
A |
8 |
4 |
19851 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
20027 |
52.3 |
-0.7 |
0.383 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
B |
6 |
3 |
20027 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
19851 |
49.4 |
0.5 |
0.746 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[GOL]A:506 |
4 |
1 |
220 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
7 |
1 |
397 |
42.5 |
0.1 |
0.289 |
3 |
0 |
0 |
0.010 |
| 22 |
27 |
|
[H4B]A:502 |
4 |
1 |
397 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
822 |
41.2 |
-1.3 |
0.443 |
1 |
0 |
0 |
0.027 |
28 |
|
[H4B]B:502 |
4 |
1 |
394 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
813 |
40.4 |
-1.2 |
0.450 |
1 |
0 |
0 |
0.027 |
| Average: |
40.8 |
-1.2 |
0.446 |
1 |
0 |
0 |
0.027 |
| 23 |
29 |
|
[GOL]B:506 |
4 |
1 |
219 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
7 |
1 |
394 |
39.1 |
0.1 |
0.272 |
3 |
0 |
0 |
0.010 |
| 24 |
30 |
|
[ACT]A:505 |
3 |
1 |
184 |
f |
[Q13]A:503 |
x,y,z |
1_555 |
2 |
1 |
626 |
38.8 |
-0.7 |
0.572 |
0 |
0 |
0 |
0.005 |
| 25 |
31 |
|
[ACT]B:505 |
3 |
1 |
183 |
f |
[Q13]B:503 |
x,y,z |
1_555 |
3 |
1 |
621 |
38.6 |
-0.6 |
0.577 |
0 |
0 |
0 |
0.005 |
| 26 |
32 |
|
[ACT]B:504 |
3 |
1 |
183 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
813 |
34.9 |
-1.1 |
0.751 |
0 |
0 |
0 |
0.009 |
| 27 |
33 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20027 |
34.7 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.246 |
34 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19851 |
34.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.246 |
| Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.246 |
| 28 |
35 |
|
[ACT]A:504 |
3 |
1 |
181 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
822 |
33.6 |
-0.9 |
0.750 |
0 |
0 |
0 |
0.008 |
| 29 |
36 |
|
[Q13]B:503 |
4 |
1 |
621 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19851 |
32.0 |
-0.3 |
0.309 |
0 |
0 |
0 |
0.003 |
37 |
|
[Q13]A:503 |
4 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20027 |
25.9 |
-0.1 |
0.396 |
0 |
0 |
0 |
0.003 |
| Average: |
29.0 |
-0.2 |
0.352 |
0 |
0 |
0 |
0.003 |
| 30 |
38 |
|
[GOL]B:506 |
2 |
1 |
219 |
f |
[Q13]B:503 |
x,y,z |
1_555 |
10 |
1 |
621 |
26.6 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[GOL]A:506 |
2 |
1 |
220 |
f |
[Q13]A:503 |
x,y,z |
1_555 |
7 |
1 |
626 |
20.2 |
-0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[ACT]A:505 |
1 |
1 |
184 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
1 |
1 |
822 |
13.1 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.007 |
| 33 |
41 |
|
[ACT]B:505 |
1 |
1 |
183 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
1 |
1 |
813 |
12.8 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.007 |
| 34 |
42 |
|
A |
1 |
1 |
19851 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19851 |
4.9 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[GOL]B:506 |
1 |
1 |
219 |
f |
[ACT]B:505 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.9 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[Q13]B:503 |
1 |
1 |
621 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
1 |
1 |
394 |
0.7 |
-0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
45 |
|
[Q13]A:503 |
1 |
1 |
626 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
1 |
1 |
397 |
0.1 |
0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
| Average: |
0.4 |
-0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
|