## |
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 |
366 |
97 |
28844 |
◊ |
A |
x,y,z |
1_555 |
367 |
98 |
29261 |
3450.3 |
-36.0 |
0.045 |
40 |
4 |
0 |
0.305 |
2 |
2 |
|
[HEM]B:801 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
87 |
31 |
28844 |
603.9 |
-21.0 |
0.501 |
5 |
0 |
0 |
0.256 |
3 |
|
[HEM]A:801 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
88 |
31 |
29261 |
601.5 |
-20.3 |
0.563 |
5 |
0 |
0 |
0.256 |
Average: |
602.7 |
-20.6 |
0.532 |
5 |
0 |
0 |
0.256 |
3 |
4 |
|
A |
40 |
13 |
29261 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
48 |
14 |
28844 |
381.8 |
-1.8 |
0.555 |
2 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
44 |
17 |
28844 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
50 |
20 |
28844 |
379.4 |
-4.5 |
0.275 |
4 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
29 |
12 |
29261 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
30 |
11 |
28844 |
288.8 |
1.8 |
0.866 |
4 |
3 |
0 |
0.000 |
6 |
7 |
|
[ADP]B:808 |
21 |
1 |
536 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
22 |
8 |
28844 |
196.4 |
0.5 |
0.751 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[ADP]B:808 |
20 |
1 |
536 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
28844 |
188.6 |
-4.1 |
0.391 |
2 |
0 |
0 |
0.028 |
8 |
9 |
|
[MPD]B:805 |
7 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
28844 |
168.1 |
-10.4 |
0.529 |
0 |
0 |
0 |
0.058 |
9 |
10 |
|
[MRD]A:806 |
7 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
29261 |
163.9 |
1.8 |
0.359 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
18 |
6 |
29261 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
6 |
28844 |
162.2 |
-0.4 |
0.602 |
3 |
4 |
0 |
0.000 |
11 |
12 |
|
[MPD]B:807 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
28844 |
139.6 |
-8.6 |
0.733 |
1 |
0 |
0 |
0.051 |
12 |
13 |
|
[MPD]A:805 |
5 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
29261 |
96.6 |
-6.3 |
0.637 |
0 |
0 |
0 |
0.035 |
13 |
14 |
|
[MRD]B:806 |
5 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
28844 |
96.0 |
0.5 |
0.396 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
28844 |
80.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.128 |
16 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
29261 |
79.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
80.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.128 |
15 |
17 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
28844 |
66.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.121 |
18 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
29261 |
65.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
65.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.121 |
16 |
19 |
|
[OXY]B:804 |
2 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
28844 |
59.0 |
2.0 |
0.971 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[OXY]A:804 |
2 |
1 |
122 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
29261 |
57.2 |
1.9 |
0.964 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[OXY]B:804 |
2 |
1 |
123 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
11 |
1 |
822 |
40.9 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
19 |
22 |
|
[OXY]A:804 |
2 |
1 |
122 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
11 |
1 |
818 |
40.5 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
20 |
23 |
|
A |
3 |
3 |
29261 |
f |
[MRD]B:806 |
-x-1/2,-y-1,z-1/2 |
2_444 |
4 |
1 |
277 |
18.3 |
-0.4 |
0.290 |
0 |
0 |
0 |
0.002 |
21 |
24 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.018 |
22 |
25 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.017 |
|