| ## |
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 |
273 |
70 |
20287 |
◊ |
A |
x,y,z |
1_555 |
263 |
67 |
20476 |
2642.0 |
-39.5 |
0.006 |
39 |
7 |
0 |
0.453 |
| 2 |
2 |
|
[HEM]A:801 |
42 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
79 |
25 |
20476 |
536.0 |
-18.7 |
0.333 |
2 |
0 |
0 |
0.309 |
3 |
|
[HEM]B:801 |
42 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
82 |
24 |
20287 |
536.0 |
-19.0 |
0.314 |
2 |
0 |
0 |
0.309 |
| Average: |
536.0 |
-18.8 |
0.323 |
2 |
0 |
0 |
0.309 |
| 3 |
4 |
|
A |
45 |
13 |
20476 |
x |
A |
x-1,y,z |
1_455 |
44 |
12 |
20476 |
383.2 |
-0.6 |
0.660 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[P94]A:803 |
23 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
33 |
16 |
20476 |
265.1 |
-3.6 |
0.363 |
3 |
0 |
0 |
0.081 |
6 |
|
[P94]B:803 |
23 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
20287 |
259.9 |
-4.0 |
0.275 |
3 |
0 |
0 |
0.081 |
| Average: |
262.5 |
-3.8 |
0.319 |
3 |
0 |
0 |
0.081 |
| 5 |
7 |
|
[H4B]B:802 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
20287 |
195.1 |
2.2 |
0.490 |
2 |
0 |
0 |
0.000 |
8 |
|
[H4B]A:802 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
20476 |
193.5 |
2.3 |
0.483 |
2 |
0 |
0 |
0.000 |
| Average: |
194.3 |
2.2 |
0.486 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[P94]A:803 |
17 |
1 |
555 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
32 |
1 |
826 |
160.1 |
-6.2 |
0.691 |
1 |
0 |
0 |
0.103 |
10 |
|
[P94]B:803 |
17 |
1 |
553 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
33 |
1 |
824 |
157.5 |
-6.1 |
0.722 |
1 |
0 |
0 |
0.103 |
| Average: |
158.8 |
-6.1 |
0.706 |
1 |
0 |
0 |
0.103 |
| 7 |
11 |
|
[GOL]B:804 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
20287 |
138.7 |
0.1 |
0.635 |
3 |
0 |
0 |
0.009 |
| 8 |
12 |
|
[GOL]A:804 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
20476 |
133.7 |
-0.3 |
0.630 |
3 |
0 |
0 |
0.013 |
| 9 |
13 |
|
[H4B]B:802 |
14 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20476 |
117.6 |
-0.1 |
0.254 |
1 |
0 |
0 |
0.009 |
14 |
|
[H4B]A:802 |
14 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20287 |
116.3 |
-0.1 |
0.242 |
1 |
0 |
0 |
0.009 |
| Average: |
116.9 |
-0.1 |
0.248 |
1 |
0 |
0 |
0.009 |
| 10 |
15 |
|
[H4B]A:802 |
4 |
1 |
397 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
826 |
41.4 |
-1.0 |
0.486 |
2 |
0 |
0 |
0.030 |
16 |
|
[H4B]B:802 |
4 |
1 |
396 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
6 |
1 |
824 |
40.4 |
-1.0 |
0.526 |
2 |
0 |
0 |
0.030 |
| Average: |
40.9 |
-1.0 |
0.506 |
2 |
0 |
0 |
0.030 |
| 11 |
17 |
|
[P94]B:803 |
3 |
1 |
553 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20476 |
35.6 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.003 |
18 |
|
[P94]A:803 |
3 |
1 |
555 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20287 |
33.3 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.003 |
| Average: |
34.4 |
-0.2 |
0.512 |
0 |
0 |
0 |
0.003 |
| 12 |
19 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20287 |
35.0 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.241 |
20 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20476 |
34.1 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.241 |
| Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.241 |
| 13 |
21 |
|
B |
4 |
1 |
20287 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
20476 |
25.8 |
0.4 |
0.664 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[P94]B:803 |
4 |
1 |
553 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
3 |
1 |
396 |
20.5 |
-0.7 |
0.247 |
0 |
0 |
0 |
0.011 |
23 |
|
[P94]A:803 |
4 |
1 |
555 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
3 |
1 |
397 |
20.1 |
-0.7 |
0.242 |
0 |
0 |
0 |
0.011 |
| Average: |
20.3 |
-0.7 |
0.245 |
0 |
0 |
0 |
0.011 |
|