| ## |
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 |
365 |
97 |
28842 |
◊ |
A |
x,y,z |
1_555 |
367 |
98 |
29190 |
3529.1 |
-34.1 |
0.079 |
42 |
7 |
0 |
0.294 |
| 2 |
2 |
|
[HEM]A:801 |
43 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
87 |
31 |
29190 |
604.2 |
-21.3 |
0.503 |
5 |
0 |
0 |
0.252 |
3 |
|
[HEM]B:801 |
43 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
88 |
31 |
28842 |
602.3 |
-20.3 |
0.569 |
5 |
0 |
0 |
0.252 |
| Average: |
603.2 |
-20.8 |
0.536 |
5 |
0 |
0 |
0.252 |
| 3 |
4 |
|
B |
41 |
14 |
28842 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
48 |
19 |
28842 |
381.6 |
-4.8 |
0.252 |
5 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
38 |
13 |
29190 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
48 |
15 |
28842 |
381.5 |
0.4 |
0.764 |
6 |
8 |
0 |
0.000 |
| 5 |
6 |
|
A |
31 |
13 |
29190 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
33 |
12 |
28842 |
294.9 |
-0.4 |
0.624 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
A |
26 |
8 |
29190 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
7 |
28842 |
205.0 |
-1.4 |
0.472 |
1 |
1 |
0 |
0.000 |
| 7 |
8 |
|
[MPD]B:805 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
28842 |
169.6 |
-10.3 |
0.606 |
2 |
0 |
0 |
0.061 |
| 8 |
9 |
|
[MPD]A:807 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
29190 |
169.1 |
-10.3 |
0.578 |
2 |
0 |
0 |
0.061 |
| 9 |
10 |
|
[MPD]A:806 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
29190 |
140.8 |
-9.2 |
0.574 |
1 |
0 |
0 |
0.053 |
| 10 |
11 |
|
[PO4]B:804 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
28842 |
89.7 |
-3.0 |
0.963 |
5 |
0 |
0 |
0.029 |
| 11 |
12 |
|
[MPD]A:808 |
5 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
29190 |
88.0 |
-5.8 |
0.678 |
0 |
0 |
0 |
0.032 |
| 12 |
13 |
|
[PO4]A:805 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
29190 |
80.8 |
-2.8 |
0.960 |
4 |
0 |
0 |
0.025 |
| 13 |
14 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
29190 |
80.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 14 |
15 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
28842 |
68.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.123 |
16 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
29190 |
65.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.123 |
| Average: |
66.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.123 |
| 15 |
17 |
|
[MPD]A:806 |
4 |
1 |
278 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
5 |
28842 |
58.0 |
-3.0 |
0.846 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[OXY]B:803 |
2 |
1 |
122 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
28842 |
55.9 |
1.9 |
0.972 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
29190 |
54.8 |
1.9 |
0.972 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[OXY]B:803 |
2 |
1 |
122 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
12 |
1 |
819 |
41.1 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
| 19 |
21 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
12 |
1 |
821 |
40.7 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
| 20 |
22 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.017 |
|