## |
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 |
359 |
95 |
28829 |
◊ |
A |
x,y,z |
1_555 |
365 |
97 |
29223 |
3499.9 |
-34.0 |
0.077 |
41 |
7 |
0 |
0.274 |
2 |
2 |
|
[HEM]A:801 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
87 |
31 |
29223 |
602.7 |
-20.3 |
0.562 |
5 |
0 |
0 |
0.230 |
3 |
|
[HEM]B:801 |
43 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
88 |
31 |
28829 |
601.1 |
-20.2 |
0.581 |
5 |
0 |
0 |
0.230 |
Average: |
601.9 |
-20.2 |
0.572 |
5 |
0 |
0 |
0.230 |
3 |
4 |
|
A |
39 |
13 |
29223 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
47 |
15 |
28829 |
382.3 |
-0.7 |
0.650 |
6 |
9 |
0 |
0.000 |
4 |
5 |
|
B |
39 |
13 |
28829 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
46 |
18 |
28829 |
377.5 |
-4.6 |
0.255 |
5 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
29 |
13 |
29223 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
29 |
12 |
28829 |
287.3 |
-0.2 |
0.635 |
3 |
2 |
0 |
0.000 |
6 |
7 |
|
A |
25 |
8 |
29223 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
8 |
28829 |
204.1 |
-1.4 |
0.476 |
1 |
1 |
0 |
0.000 |
7 |
8 |
|
[MPD]A:807 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
29223 |
172.3 |
-10.3 |
0.633 |
3 |
0 |
0 |
0.060 |
8 |
9 |
|
[MPD]B:806 |
8 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
28829 |
169.7 |
-10.5 |
0.628 |
1 |
0 |
0 |
0.056 |
9 |
10 |
|
[MPD]A:806 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
29223 |
138.9 |
-9.0 |
0.576 |
0 |
0 |
0 |
0.046 |
10 |
11 |
|
[PO4]B:805 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
28829 |
89.9 |
-3.4 |
0.962 |
5 |
0 |
0 |
0.029 |
11 |
12 |
|
[MPD]A:808 |
6 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
29223 |
85.8 |
-5.6 |
0.656 |
0 |
0 |
0 |
0.029 |
12 |
13 |
|
[PO4]A:805 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29223 |
83.1 |
-3.0 |
0.957 |
4 |
0 |
0 |
0.025 |
13 |
14 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
29223 |
81.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.117 |
15 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
28829 |
77.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
79.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.117 |
14 |
16 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
28829 |
65.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.111 |
17 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29223 |
64.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
65.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.111 |
15 |
18 |
|
[MPD]A:806 |
4 |
1 |
277 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
5 |
28829 |
60.1 |
-3.0 |
0.862 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[OXY]B:804 |
2 |
1 |
122 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
28829 |
58.7 |
1.9 |
0.969 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[OXY]A:804 |
2 |
1 |
122 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
29223 |
57.3 |
1.9 |
0.970 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[OXY]A:804 |
2 |
1 |
122 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
12 |
1 |
820 |
39.7 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
19 |
22 |
|
[OXY]B:804 |
2 |
1 |
122 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
12 |
1 |
812 |
39.2 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.016 |
21 |
24 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.015 |
|