| ## |
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 |
88 |
24 |
7836 |
◊ |
A |
x,y,z |
1_555 |
96 |
23 |
7709 |
887.9 |
-9.4 |
0.347 |
5 |
2 |
0 |
0.207 |
2 |
|
D |
89 |
22 |
7979 |
◊ |
C |
x,y,z |
1_555 |
87 |
22 |
7660 |
860.5 |
-8.9 |
0.374 |
4 |
2 |
0 |
0.207 |
| Average: |
874.2 |
-9.2 |
0.361 |
5 |
2 |
0 |
0.207 |
| 2 |
3 |
|
[HEM]C:144 |
43 |
1 |
831 |
f |
C |
x,y,z |
1_555 |
72 |
26 |
7660 |
580.2 |
-20.3 |
0.305 |
2 |
0 |
0 |
0.361 |
4 |
|
[HEM]A:144 |
43 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
73 |
27 |
7709 |
564.0 |
-19.9 |
0.239 |
2 |
0 |
0 |
0.361 |
| Average: |
572.1 |
-20.1 |
0.272 |
2 |
0 |
0 |
0.361 |
| 3 |
5 |
|
[HEM]D:147 |
43 |
1 |
845 |
f |
D |
x,y,z |
1_555 |
69 |
28 |
7979 |
568.2 |
-19.6 |
0.298 |
1 |
0 |
0 |
0.339 |
6 |
|
[HEM]B:147 |
43 |
1 |
850 |
f |
B |
x,y,z |
1_555 |
67 |
27 |
7836 |
564.2 |
-19.1 |
0.296 |
1 |
0 |
0 |
0.339 |
| Average: |
566.2 |
-19.3 |
0.297 |
1 |
0 |
0 |
0.339 |
| 4 |
7 |
|
B |
56 |
13 |
7836 |
◊ |
C |
x,y,z |
1_555 |
55 |
14 |
7660 |
508.8 |
-3.7 |
0.561 |
4 |
0 |
0 |
0.000 |
8 |
|
D |
57 |
13 |
7979 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
7709 |
496.7 |
-3.0 |
0.590 |
5 |
0 |
0 |
0.000 |
| Average: |
502.7 |
-3.4 |
0.576 |
5 |
0 |
0 |
0.000 |
| 5 |
9 |
|
C |
45 |
11 |
7660 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
7709 |
484.5 |
1.9 |
0.877 |
11 |
4 |
0 |
0.000 |
| 6 |
10 |
|
B |
56 |
16 |
7836 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
55 |
17 |
7979 |
458.6 |
-5.1 |
0.433 |
2 |
0 |
0 |
0.000 |
| 7 |
11 |
|
A |
23 |
6 |
7709 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
7 |
7836 |
241.4 |
0.4 |
0.739 |
2 |
2 |
0 |
0.000 |
| 8 |
12 |
|
C |
25 |
10 |
7660 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
22 |
7 |
7709 |
201.6 |
1.2 |
0.813 |
2 |
2 |
0 |
0.000 |
| 9 |
13 |
|
B |
29 |
10 |
7836 |
◊ |
C |
-x-1/2,-y+1,z-1/2 |
2_464 |
19 |
10 |
7660 |
170.2 |
1.3 |
0.819 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
13 |
5 |
7709 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
6 |
7979 |
118.5 |
1.7 |
0.863 |
2 |
1 |
0 |
0.000 |
| 11 |
15 |
|
B |
15 |
5 |
7836 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
12 |
4 |
7979 |
114.7 |
-1.8 |
0.378 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
7709 |
86.6 |
-1.4 |
0.700 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[ACE]A:0 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
7660 |
82.7 |
-1.4 |
0.703 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[CMO]D:148 |
2 |
1 |
136 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
7979 |
65.8 |
-0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[CMO]B:148 |
2 |
1 |
141 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7836 |
65.3 |
-0.6 |
0.695 |
0 |
0 |
0 |
0.011 |
| 16 |
20 |
|
[CMO]A:145 |
2 |
1 |
139 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
7709 |
64.4 |
-0.7 |
0.691 |
0 |
0 |
0 |
0.012 |
| 17 |
21 |
|
[CMO]C:145 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
7660 |
63.8 |
-0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
7709 |
61.9 |
-0.2 |
0.790 |
0 |
0 |
0 |
0.004 |
| 19 |
23 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
7 |
3 |
7660 |
60.4 |
-0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
C |
4 |
1 |
7660 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
3 |
7979 |
47.5 |
-1.1 |
0.270 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[CMO]B:148 |
2 |
1 |
141 |
cf |
[HEM]B:147 |
x,y,z |
1_555 |
15 |
1 |
850 |
46.4 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.033 |
| 22 |
26 |
|
B |
8 |
3 |
7836 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
7709 |
44.8 |
-0.9 |
0.378 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[CMO]D:148 |
2 |
1 |
136 |
cf |
[HEM]D:147 |
x,y,z |
1_555 |
16 |
1 |
845 |
44.7 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.008 |
| 24 |
28 |
|
[CMO]C:145 |
2 |
1 |
137 |
cf |
[HEM]C:144 |
x,y,z |
1_555 |
18 |
1 |
831 |
44.6 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.008 |
| 25 |
29 |
|
[CMO]A:145 |
2 |
1 |
139 |
cf |
[HEM]A:144 |
x,y,z |
1_555 |
15 |
1 |
826 |
44.5 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.033 |
| 26 |
30 |
|
C |
5 |
2 |
7660 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
7660 |
37.3 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
D |
3 |
1 |
7979 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7836 |
31.1 |
-1.0 |
0.168 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[HEM]C:144 |
1 |
1 |
831 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7660 |
2.6 |
-0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
C |
1 |
1 |
7660 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7979 |
0.2 |
-0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
|