## |
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 |
369 |
98 |
29011 |
◊ |
A |
x,y,z |
1_555 |
370 |
99 |
29280 |
3510.1 |
-35.5 |
0.060 |
42 |
7 |
0 |
0.276 |
2 |
2 |
|
[HEM]A:801 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
86 |
30 |
29280 |
605.9 |
-20.6 |
0.546 |
5 |
0 |
0 |
0.227 |
3 |
|
[HEM]B:801 |
43 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
89 |
31 |
29011 |
605.7 |
-20.2 |
0.581 |
5 |
0 |
0 |
0.227 |
Average: |
605.8 |
-20.4 |
0.563 |
5 |
0 |
0 |
0.227 |
3 |
4 |
|
A |
39 |
13 |
29280 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
49 |
16 |
29011 |
386.7 |
-0.0 |
0.680 |
6 |
9 |
0 |
0.000 |
4 |
5 |
|
B |
38 |
13 |
29011 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
46 |
18 |
29011 |
378.1 |
-4.5 |
0.258 |
5 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
30 |
13 |
29280 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
33 |
13 |
29011 |
299.4 |
-0.5 |
0.593 |
3 |
1 |
0 |
0.000 |
6 |
7 |
|
A |
24 |
8 |
29280 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
7 |
29011 |
200.2 |
-1.3 |
0.473 |
1 |
1 |
0 |
0.000 |
7 |
8 |
|
[MPD]A:807 |
7 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
29280 |
171.3 |
-10.3 |
0.557 |
2 |
0 |
0 |
0.056 |
8 |
9 |
|
[MPD]B:806 |
7 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
29011 |
168.3 |
-10.5 |
0.556 |
0 |
0 |
0 |
0.053 |
9 |
10 |
|
[MPD]A:806 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
29280 |
140.3 |
-9.4 |
0.531 |
0 |
0 |
0 |
0.047 |
10 |
11 |
|
[PO4]A:805 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
29280 |
89.4 |
-3.2 |
0.957 |
6 |
0 |
0 |
0.029 |
11 |
12 |
|
[PO4]B:805 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
29011 |
88.6 |
-3.2 |
0.962 |
5 |
0 |
0 |
0.027 |
12 |
13 |
|
[MPD]A:808 |
4 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
29280 |
88.1 |
-5.7 |
0.649 |
0 |
0 |
0 |
0.029 |
13 |
14 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
29280 |
81.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.115 |
15 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
29011 |
79.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
80.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.115 |
14 |
16 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29280 |
64.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.109 |
17 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
29011 |
64.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
64.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.109 |
15 |
18 |
|
[OXY]B:804 |
2 |
1 |
121 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
29011 |
56.4 |
1.9 |
0.974 |
4 |
0 |
0 |
0.000 |
16 |
19 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
29280 |
54.7 |
0.9 |
0.848 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[MPD]A:806 |
4 |
1 |
277 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
5 |
29011 |
53.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[OXY]B:804 |
2 |
1 |
121 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
12 |
1 |
815 |
38.2 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
13 |
1 |
819 |
38.2 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.001 |
20 |
23 |
|
[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 |
21 |
24 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.015 |
|