## |
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 |
367 |
95 |
29025 |
◊ |
A |
x,y,z |
1_555 |
365 |
95 |
29186 |
3452.4 |
-36.4 |
0.041 |
39 |
4 |
0 |
0.275 |
2 |
2 |
|
[HEM]A:801 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
86 |
31 |
29186 |
604.2 |
-21.4 |
0.493 |
5 |
0 |
0 |
0.233 |
3 |
|
[HEM]B:801 |
43 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
89 |
31 |
29025 |
602.8 |
-20.2 |
0.566 |
5 |
0 |
0 |
0.233 |
Average: |
603.5 |
-20.8 |
0.529 |
5 |
0 |
0 |
0.233 |
3 |
4 |
|
A |
41 |
13 |
29186 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
51 |
16 |
29025 |
401.6 |
0.2 |
0.668 |
5 |
9 |
0 |
0.000 |
4 |
5 |
|
B |
42 |
16 |
29025 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
46 |
20 |
29025 |
375.1 |
-4.6 |
0.246 |
4 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
35 |
13 |
29186 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
34 |
13 |
29025 |
346.8 |
3.5 |
0.924 |
5 |
4 |
0 |
0.000 |
6 |
7 |
|
A |
23 |
8 |
29186 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
7 |
29025 |
207.8 |
-0.5 |
0.563 |
1 |
1 |
0 |
0.000 |
7 |
8 |
|
[MPD]A:805 |
7 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
29186 |
164.9 |
-10.2 |
0.519 |
1 |
0 |
0 |
0.054 |
8 |
9 |
|
[MPD]B:806 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
29025 |
163.5 |
-10.5 |
0.560 |
1 |
0 |
0 |
0.056 |
9 |
10 |
|
A |
20 |
8 |
29186 |
f |
[MPD]B:807 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
265 |
132.6 |
-8.9 |
0.599 |
0 |
0 |
0 |
0.045 |
10 |
11 |
|
[MPD]B:808 |
8 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
29025 |
103.5 |
-5.2 |
0.870 |
1 |
0 |
0 |
0.029 |
11 |
12 |
|
[PO4]B:805 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
29025 |
88.4 |
-3.1 |
0.961 |
6 |
0 |
0 |
0.029 |
12 |
13 |
|
[MPD]A:806 |
5 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
29186 |
87.9 |
-5.7 |
0.651 |
0 |
0 |
0 |
0.029 |
13 |
14 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
29186 |
80.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.115 |
15 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
29025 |
79.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
80.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.115 |
14 |
16 |
|
A |
7 |
3 |
29186 |
◊ |
[MPD]B:808 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
279 |
73.4 |
-4.8 |
0.323 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
29025 |
65.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.110 |
18 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
29186 |
64.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
65.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.110 |
16 |
19 |
|
[OXY]B:804 |
2 |
1 |
122 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
29025 |
57.9 |
1.9 |
0.968 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29186 |
53.5 |
1.9 |
0.976 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[MPD]B:807 |
3 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
29025 |
51.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
11 |
1 |
824 |
40.7 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.001 |
20 |
23 |
|
[OXY]B:804 |
2 |
1 |
122 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
12 |
1 |
819 |
39.8 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
21 |
24 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.017 |
22 |
25 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.016 |
|