## |
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 |
270 |
68 |
20193 |
◊ |
A |
x,y,z |
1_555 |
263 |
70 |
20015 |
2608.7 |
-41.2 |
0.003 |
35 |
10 |
0 |
0.456 |
2 |
2 |
|
A |
64 |
19 |
20015 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
67 |
18 |
20193 |
642.2 |
-2.0 |
0.639 |
14 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:1719 |
43 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
73 |
23 |
20193 |
503.2 |
-16.8 |
0.284 |
0 |
0 |
0 |
0.261 |
4 |
|
[HEM]A:1717 |
43 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
76 |
23 |
20015 |
502.3 |
-16.5 |
0.327 |
0 |
0 |
0 |
0.261 |
Average: |
502.8 |
-16.6 |
0.306 |
0 |
0 |
0 |
0.261 |
4 |
5 |
|
B |
47 |
14 |
20193 |
x |
B |
x-1,y,z |
1_455 |
50 |
15 |
20193 |
441.2 |
0.5 |
0.706 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[S71]A:1719 |
27 |
1 |
660 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
20015 |
371.7 |
-2.7 |
0.643 |
3 |
0 |
0 |
0.065 |
7 |
|
[S71]B:1721 |
27 |
1 |
662 |
f |
B |
x,y,z |
1_555 |
54 |
23 |
20193 |
370.5 |
-3.0 |
0.606 |
3 |
0 |
0 |
0.065 |
Average: |
371.1 |
-2.8 |
0.625 |
3 |
0 |
0 |
0.065 |
6 |
8 |
|
B |
40 |
12 |
20193 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
33 |
9 |
20015 |
301.7 |
-1.9 |
0.532 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]A:1718 |
17 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
20015 |
194.2 |
1.8 |
0.437 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]B:1720 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20193 |
190.2 |
1.9 |
0.443 |
2 |
0 |
0 |
0.000 |
Average: |
192.2 |
1.8 |
0.440 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[S71]B:1721 |
22 |
1 |
662 |
f |
[HEM]B:1719 |
x,y,z |
1_555 |
32 |
1 |
813 |
175.0 |
-6.7 |
0.911 |
3 |
0 |
0 |
0.125 |
12 |
|
[S71]A:1719 |
21 |
1 |
660 |
f |
[HEM]A:1717 |
x,y,z |
1_555 |
32 |
1 |
812 |
172.4 |
-6.7 |
0.898 |
3 |
0 |
0 |
0.125 |
Average: |
173.7 |
-6.7 |
0.905 |
3 |
0 |
0 |
0.125 |
9 |
13 |
|
A |
24 |
12 |
20015 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
23 |
9 |
20193 |
169.5 |
0.3 |
0.721 |
1 |
2 |
0 |
0.000 |
10 |
14 |
|
[H4B]B:1720 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20015 |
117.1 |
-0.2 |
0.264 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:1718 |
13 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20193 |
116.4 |
-0.1 |
0.272 |
1 |
0 |
0 |
0.009 |
Average: |
116.8 |
-0.1 |
0.268 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:1722 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20193 |
114.9 |
-1.3 |
0.510 |
1 |
0 |
0 |
0.014 |
12 |
17 |
|
[ACT]A:1720 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20015 |
110.3 |
-1.2 |
0.507 |
1 |
0 |
0 |
0.013 |
13 |
18 |
|
[H4B]B:1720 |
4 |
1 |
400 |
f |
[HEM]B:1719 |
x,y,z |
1_555 |
5 |
1 |
813 |
39.8 |
-1.3 |
0.441 |
1 |
0 |
0 |
0.027 |
19 |
|
[H4B]A:1718 |
4 |
1 |
402 |
f |
[HEM]A:1717 |
x,y,z |
1_555 |
5 |
1 |
812 |
39.2 |
-1.2 |
0.441 |
1 |
0 |
0 |
0.027 |
Average: |
39.5 |
-1.3 |
0.441 |
1 |
0 |
0 |
0.027 |
14 |
20 |
|
[ACT]A:1720 |
3 |
1 |
183 |
f |
[HEM]A:1717 |
x,y,z |
1_555 |
5 |
1 |
812 |
36.9 |
-1.1 |
0.750 |
0 |
0 |
0 |
0.008 |
15 |
21 |
|
[ZN]A:1721 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20015 |
34.6 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.241 |
22 |
|
[ZN]A:1721 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20193 |
34.4 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.241 |
16 |
23 |
|
[ACT]B:1722 |
3 |
1 |
184 |
f |
[HEM]B:1719 |
x,y,z |
1_555 |
5 |
1 |
813 |
33.8 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.008 |
17 |
24 |
|
[S71]A:1719 |
1 |
1 |
660 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20193 |
31.1 |
-1.0 |
0.157 |
0 |
0 |
0 |
0.015 |
25 |
|
[S71]B:1721 |
1 |
1 |
662 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20015 |
30.8 |
-1.0 |
0.158 |
0 |
0 |
0 |
0.015 |
Average: |
30.9 |
-1.0 |
0.158 |
0 |
0 |
0 |
0.015 |
18 |
26 |
|
[S71]B:1721 |
2 |
1 |
662 |
f |
[H4B]B:1720 |
x,y,z |
1_555 |
3 |
1 |
400 |
29.7 |
-0.4 |
0.321 |
1 |
0 |
0 |
0.014 |
27 |
|
[S71]A:1719 |
2 |
1 |
660 |
f |
[H4B]A:1718 |
x,y,z |
1_555 |
3 |
1 |
402 |
28.6 |
-0.4 |
0.298 |
1 |
0 |
0 |
0.014 |
Average: |
29.1 |
-0.4 |
0.309 |
1 |
0 |
0 |
0.014 |
19 |
28 |
|
B |
1 |
1 |
20193 |
x |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
1 |
1 |
20193 |
12.0 |
0.6 |
0.918 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
2 |
1 |
20015 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
20015 |
10.7 |
-0.3 |
0.276 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20015 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20193 |
0.7 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
|