| ## |
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 |
156 |
40 |
6785 |
◊ |
A |
x,y,z |
1_555 |
154 |
41 |
6807 |
1529.3 |
-18.3 |
0.437 |
24 |
0 |
0 |
0.212 |
| 2 |
2 |
|
[HEM]B:202 |
42 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
68 |
23 |
6785 |
435.5 |
-17.3 |
0.604 |
4 |
0 |
0 |
0.296 |
3 |
|
[HEM]A:202 |
40 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
61 |
22 |
6807 |
432.9 |
-17.2 |
0.539 |
3 |
0 |
0 |
0.296 |
| Average: |
434.2 |
-17.2 |
0.571 |
4 |
0 |
0 |
0.296 |
| 3 |
4 |
|
[HEM]A:201 |
38 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
60 |
19 |
6807 |
401.7 |
-12.8 |
0.802 |
1 |
0 |
0 |
0.207 |
5 |
|
[HEM]B:201 |
37 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
52 |
17 |
6785 |
368.3 |
-12.6 |
0.747 |
1 |
0 |
0 |
0.207 |
| Average: |
385.0 |
-12.7 |
0.774 |
1 |
0 |
0 |
0.207 |
| 4 |
6 |
|
A |
44 |
14 |
6807 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
49 |
15 |
6785 |
363.2 |
-3.7 |
0.573 |
4 |
0 |
0 |
0.043 |
| 5 |
7 |
|
B |
44 |
13 |
6785 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
34 |
10 |
6807 |
347.5 |
-5.0 |
0.428 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
18 |
7 |
6807 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
26 |
8 |
6785 |
216.0 |
-2.3 |
0.535 |
2 |
1 |
0 |
0.000 |
| 7 |
9 |
|
[HEM]A:202 |
37 |
1 |
821 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
36 |
1 |
830 |
206.3 |
-8.2 |
1.000 |
0 |
0 |
0 |
0.128 |
10 |
|
[HEM]B:202 |
39 |
1 |
825 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
38 |
1 |
814 |
204.8 |
-8.1 |
1.000 |
0 |
0 |
0 |
0.128 |
| Average: |
205.5 |
-8.1 |
1.000 |
0 |
0 |
0 |
0.128 |
| 8 |
11 |
|
A |
18 |
6 |
6807 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
9 |
6807 |
153.9 |
-0.9 |
0.672 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
A |
13 |
4 |
6807 |
◊ |
[HEM]B:201 |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
1 |
814 |
103.5 |
-2.9 |
0.521 |
0 |
0 |
0 |
0.039 |
13 |
|
[HEM]A:201 |
5 |
1 |
830 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
12 |
3 |
6785 |
69.6 |
-2.0 |
0.562 |
0 |
0 |
0 |
0.039 |
| Average: |
86.6 |
-2.5 |
0.542 |
0 |
0 |
0 |
0.039 |
| 10 |
14 |
|
A |
9 |
2 |
6807 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
7 |
3 |
6785 |
80.6 |
-1.8 |
0.284 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[HEM]A:201 |
16 |
1 |
830 |
◊ |
[HEM]B:201 |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
1 |
814 |
78.1 |
-3.4 |
0.999 |
0 |
0 |
0 |
0.027 |
| 12 |
16 |
|
A |
5 |
2 |
6807 |
◊ |
[HEM]B:202 |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
1 |
825 |
58.1 |
-2.6 |
0.285 |
0 |
0 |
0 |
0.039 |
17 |
|
[HEM]A:202 |
5 |
1 |
821 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
6785 |
54.2 |
-2.3 |
0.262 |
0 |
0 |
0 |
0.039 |
| Average: |
56.2 |
-2.5 |
0.274 |
0 |
0 |
0 |
0.039 |
| 13 |
18 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6807 |
47.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.109 |
19 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6785 |
47.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
47.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.109 |
| 14 |
20 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
[HEM]A:202 |
x,y,z |
1_555 |
14 |
1 |
821 |
41.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.105 |
21 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
[HEM]B:202 |
x,y,z |
1_555 |
15 |
1 |
825 |
40.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
40.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.105 |
| 15 |
22 |
|
A |
5 |
2 |
6807 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
6807 |
34.7 |
1.1 |
0.895 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
1 |
1 |
6785 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
6785 |
19.5 |
-0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
| Average: |
27.1 |
0.5 |
0.629 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
B |
4 |
1 |
6785 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
6807 |
31.5 |
0.6 |
0.833 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
B |
3 |
2 |
6785 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
6785 |
9.4 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[HEM]B:201 |
1 |
1 |
814 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6807 |
6.0 |
-0.2 |
0.527 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
4 |
1 |
830 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
28 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
4 |
1 |
814 |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
4.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 20 |
29 |
|
[HEM]A:201 |
1 |
1 |
830 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
6807 |
3.0 |
-0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[HEM]B:202 |
2 |
1 |
825 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6807 |
0.9 |
-0.0 |
0.746 |
0 |
0 |
0 |
0.000 |
31 |
|
[HEM]A:202 |
1 |
1 |
821 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6785 |
0.7 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
| Average: |
0.8 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[HEM]A:201 |
1 |
1 |
830 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
6785 |
0.3 |
-0.0 |
0.787 |
0 |
0 |
0 |
0.000 |
|