## |
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 |
|
D |
83 |
25 |
8000 |
◊ |
C |
x,y,z |
1_555 |
85 |
21 |
7895 |
798.2 |
-6.0 |
0.443 |
9 |
1 |
0 |
0.170 |
2 |
|
B |
84 |
25 |
7803 |
◊ |
A |
x,y,z |
1_555 |
80 |
22 |
7889 |
774.1 |
-6.5 |
0.441 |
8 |
1 |
0 |
0.170 |
Average: |
786.1 |
-6.2 |
0.442 |
9 |
1 |
0 |
0.170 |
2 |
3 |
|
D |
78 |
17 |
8000 |
◊ |
A |
x,y,z |
1_555 |
72 |
16 |
7889 |
657.3 |
-4.9 |
0.504 |
6 |
0 |
0 |
0.134 |
4 |
|
B |
73 |
17 |
7803 |
◊ |
C |
x,y,z |
1_555 |
66 |
15 |
7895 |
604.4 |
-6.7 |
0.356 |
4 |
0 |
0 |
0.134 |
Average: |
630.9 |
-5.8 |
0.430 |
5 |
0 |
0 |
0.134 |
3 |
5 |
|
[HEM]C:600 |
43 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
67 |
28 |
7895 |
597.1 |
-19.7 |
0.422 |
2 |
0 |
0 |
0.336 |
6 |
|
[HEM]A:202 |
43 |
1 |
828 |
f |
A |
x,y,z |
1_555 |
71 |
24 |
7889 |
580.0 |
-18.4 |
0.474 |
3 |
0 |
0 |
0.336 |
Average: |
588.6 |
-19.0 |
0.448 |
3 |
0 |
0 |
0.336 |
4 |
7 |
|
[HEM]D:800 |
43 |
1 |
793 |
f |
D |
x,y,z |
1_555 |
70 |
27 |
8000 |
538.1 |
-17.7 |
0.297 |
2 |
0 |
0 |
0.302 |
8 |
|
[HEM]B:400 |
43 |
1 |
787 |
f |
B |
x,y,z |
1_555 |
75 |
28 |
7803 |
536.9 |
-17.2 |
0.332 |
1 |
0 |
0 |
0.302 |
Average: |
537.5 |
-17.4 |
0.315 |
2 |
0 |
0 |
0.302 |
5 |
9 |
|
D |
55 |
14 |
8000 |
◊ |
A |
x-1,y,z |
1_455 |
50 |
11 |
7889 |
454.2 |
-1.4 |
0.670 |
4 |
3 |
0 |
0.000 |
10 |
|
C |
45 |
12 |
7895 |
◊ |
B |
x,y,z-1 |
1_554 |
54 |
13 |
7803 |
449.5 |
-2.3 |
0.596 |
2 |
6 |
0 |
0.000 |
Average: |
451.8 |
-1.9 |
0.633 |
3 |
5 |
0 |
0.000 |
6 |
11 |
|
C |
44 |
12 |
7895 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
7889 |
450.9 |
4.4 |
0.931 |
9 |
4 |
0 |
0.002 |
7 |
12 |
|
D |
42 |
10 |
8000 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
39 |
11 |
7803 |
329.9 |
-0.7 |
0.647 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
26 |
9 |
7889 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
23 |
6 |
7895 |
250.6 |
-1.0 |
0.590 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
18 |
5 |
7889 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
17 |
6 |
7803 |
152.2 |
0.1 |
0.671 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
7895 |
76.5 |
-0.4 |
0.772 |
0 |
0 |
0 |
0.007 |
16 |
|
[ACE]A:0 |
3 |
1 |
170 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
7889 |
71.4 |
-0.5 |
0.780 |
0 |
0 |
0 |
0.007 |
Average: |
73.9 |
-0.4 |
0.776 |
0 |
0 |
0 |
0.007 |
11 |
17 |
|
[ACE]A:0 |
3 |
1 |
170 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
7895 |
69.2 |
-1.5 |
0.666 |
0 |
0 |
0 |
0.024 |
18 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7889 |
64.8 |
-1.4 |
0.673 |
0 |
0 |
0 |
0.024 |
Average: |
67.0 |
-1.4 |
0.670 |
0 |
0 |
0 |
0.024 |
12 |
19 |
|
[CMO]A:201 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
7889 |
60.0 |
-0.4 |
0.734 |
1 |
0 |
0 |
0.007 |
13 |
20 |
|
[HEM]A:202 |
15 |
1 |
828 |
f |
[CMO]A:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
43.8 |
-2.1 |
0.500 |
0 |
0 |
0 |
0.017 |
14 |
21 |
|
[HEM]D:800 |
3 |
1 |
793 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
7803 |
36.9 |
-0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
A |
5 |
2 |
7889 |
◊ |
[HEM]B:400 |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
787 |
30.7 |
-1.5 |
0.586 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
A |
5 |
3 |
7889 |
◊ |
[HEM]C:600 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
821 |
24.8 |
-1.3 |
0.560 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[HEM]A:202 |
3 |
1 |
828 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
7803 |
15.3 |
-0.7 |
0.573 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
D |
2 |
1 |
8000 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7803 |
8.0 |
-0.2 |
0.366 |
0 |
0 |
0 |
0.002 |
19 |
26 |
|
[HEM]A:202 |
1 |
1 |
828 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8000 |
5.1 |
0.1 |
0.865 |
0 |
0 |
0 |
0.000 |
|