## |
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 |
362 |
98 |
29167 |
◊ |
A |
x,y,z |
1_555 |
364 |
96 |
29318 |
3457.8 |
-36.7 |
0.035 |
40 |
4 |
0 |
0.277 |
2 |
2 |
|
[HEM]B:801 |
43 |
1 |
823 |
f |
B |
x,y,z |
1_555 |
89 |
31 |
29167 |
604.5 |
-21.2 |
0.495 |
5 |
0 |
0 |
0.233 |
3 |
|
[HEM]A:801 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
87 |
31 |
29318 |
601.3 |
-20.5 |
0.563 |
5 |
0 |
0 |
0.233 |
Average: |
602.9 |
-20.9 |
0.529 |
5 |
0 |
0 |
0.233 |
3 |
4 |
|
A |
39 |
13 |
29318 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
48 |
15 |
29167 |
388.6 |
0.6 |
0.741 |
5 |
8 |
0 |
0.000 |
4 |
5 |
|
B |
41 |
16 |
29167 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
50 |
21 |
29167 |
372.3 |
-4.4 |
0.274 |
4 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
33 |
12 |
29318 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
34 |
12 |
29167 |
337.8 |
3.2 |
0.931 |
5 |
3 |
0 |
0.000 |
6 |
7 |
|
A |
25 |
8 |
29318 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
7 |
29167 |
219.3 |
-0.7 |
0.532 |
1 |
1 |
0 |
0.000 |
7 |
8 |
|
[MPD]A:806 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
29318 |
170.4 |
-10.0 |
0.568 |
2 |
0 |
0 |
0.055 |
8 |
9 |
|
[MPD]B:808 |
7 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
29167 |
162.7 |
-10.5 |
0.552 |
2 |
0 |
0 |
0.057 |
9 |
10 |
|
A |
21 |
9 |
29318 |
f |
[MPD]B:807 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
267 |
133.4 |
-8.9 |
0.593 |
0 |
0 |
0 |
0.045 |
10 |
11 |
|
[MPD]B:806 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
29167 |
103.9 |
-5.3 |
0.852 |
1 |
0 |
0 |
0.029 |
11 |
12 |
|
[PO4]B:805 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
29167 |
93.1 |
-3.4 |
0.960 |
5 |
0 |
0 |
0.028 |
12 |
13 |
|
[MPD]A:805 |
5 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
29318 |
87.7 |
-5.7 |
0.669 |
1 |
0 |
0 |
0.031 |
13 |
14 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
29318 |
79.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.115 |
15 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
29167 |
78.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
79.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.115 |
14 |
16 |
|
A |
7 |
3 |
29318 |
◊ |
[MPD]B:806 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
277 |
71.0 |
-4.6 |
0.329 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
29167 |
65.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.109 |
18 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29318 |
64.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
65.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.109 |
16 |
19 |
|
[OXY]B:804 |
2 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
29167 |
58.8 |
1.9 |
0.966 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
29318 |
54.9 |
1.9 |
0.970 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[MPD]B:807 |
3 |
1 |
267 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
29167 |
50.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[OXY]B:804 |
2 |
1 |
123 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
12 |
1 |
823 |
40.9 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.001 |
20 |
23 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
11 |
1 |
820 |
40.6 |
-0.3 |
1.000 |
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 |
16.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
22 |
25 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.016 |
|