| ## |
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 |
92 |
25 |
19488 |
◊ |
C |
-y+1,x-y,z+1 |
2_656 |
96 |
25 |
19531 |
728.3 |
-5.2 |
0.524 |
5 |
0 |
0 |
0.000 |
2 |
|
A |
96 |
27 |
19486 |
◊ |
D |
-y,x-y-1,z |
2_545 |
91 |
25 |
19360 |
724.5 |
-6.6 |
0.441 |
5 |
0 |
0 |
0.000 |
| Average: |
726.4 |
-5.9 |
0.483 |
5 |
0 |
0 |
0.000 |
| 2 |
3 |
|
C |
70 |
25 |
19531 |
◊ |
A |
x,y,z |
1_555 |
71 |
25 |
19486 |
674.8 |
0.0 |
0.802 |
4 |
3 |
0 |
0.000 |
4 |
|
D |
66 |
25 |
19360 |
◊ |
B |
x,y,z |
1_555 |
70 |
24 |
19488 |
657.4 |
1.1 |
0.848 |
5 |
3 |
0 |
0.000 |
| Average: |
666.1 |
0.6 |
0.825 |
5 |
3 |
0 |
0.000 |
| 3 |
5 |
|
[HEM]C:500 |
43 |
1 |
817 |
f |
C |
x,y,z |
1_555 |
79 |
34 |
19531 |
592.5 |
-20.8 |
0.423 |
6 |
0 |
0 |
0.086 |
6 |
|
[HEM]D:500 |
43 |
1 |
817 |
f |
D |
x,y,z |
1_555 |
86 |
36 |
19360 |
591.6 |
-20.8 |
0.446 |
7 |
0 |
0 |
0.086 |
7 |
|
[HEM]A:500 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
80 |
33 |
19486 |
589.2 |
-19.0 |
0.589 |
7 |
0 |
0 |
0.086 |
8 |
|
[HEM]B:500 |
43 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
83 |
34 |
19488 |
588.2 |
-20.9 |
0.425 |
6 |
0 |
0 |
0.086 |
| Average: |
590.4 |
-20.4 |
0.471 |
7 |
0 |
0 |
0.086 |
| 4 |
9 |
|
D |
44 |
18 |
19360 |
◊ |
A |
x,y,z |
1_555 |
45 |
19 |
19486 |
358.2 |
3.7 |
0.938 |
4 |
5 |
0 |
0.000 |
10 |
|
C |
45 |
18 |
19531 |
◊ |
B |
x,y,z-1 |
1_554 |
46 |
16 |
19488 |
358.1 |
0.9 |
0.804 |
2 |
2 |
0 |
0.000 |
| Average: |
358.1 |
2.3 |
0.871 |
3 |
4 |
0 |
0.000 |
| 5 |
11 |
|
A |
40 |
13 |
19486 |
◊ |
D |
x,y,z-1 |
1_554 |
41 |
12 |
19360 |
347.2 |
-0.9 |
0.671 |
7 |
0 |
0 |
0.000 |
12 |
|
C |
41 |
14 |
19531 |
◊ |
B |
x,y,z |
1_555 |
38 |
12 |
19488 |
344.9 |
-0.9 |
0.652 |
6 |
0 |
0 |
0.000 |
| Average: |
346.1 |
-0.9 |
0.662 |
7 |
0 |
0 |
0.000 |
| 6 |
13 |
|
[CPZ]C:501 |
12 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
32 |
13 |
19531 |
218.7 |
-3.9 |
0.192 |
1 |
0 |
0 |
0.018 |
14 |
|
[CPZ]D:501 |
12 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
31 |
13 |
19360 |
216.6 |
-4.3 |
0.166 |
1 |
0 |
0 |
0.018 |
15 |
|
[CPZ]A:501 |
12 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
19486 |
215.2 |
-4.4 |
0.177 |
1 |
0 |
0 |
0.018 |
16 |
|
[CPZ]B:501 |
12 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
19488 |
213.7 |
-4.4 |
0.155 |
1 |
0 |
0 |
0.018 |
| Average: |
216.0 |
-4.2 |
0.173 |
1 |
0 |
0 |
0.018 |
| 7 |
17 |
|
[CPZ]A:501 |
7 |
1 |
337 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
24 |
1 |
820 |
69.1 |
0.4 |
0.785 |
0 |
0 |
0 |
0.000 |
18 |
|
[CPZ]B:501 |
5 |
1 |
336 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
22 |
1 |
818 |
69.1 |
0.3 |
0.850 |
0 |
0 |
0 |
0.000 |
19 |
|
[CPZ]D:501 |
4 |
1 |
337 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
21 |
1 |
817 |
66.9 |
0.3 |
0.870 |
0 |
0 |
0 |
0.000 |
20 |
|
[CPZ]C:501 |
6 |
1 |
337 |
f |
[HEM]C:500 |
x,y,z |
1_555 |
22 |
1 |
817 |
66.8 |
0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
| Average: |
68.0 |
0.3 |
0.826 |
0 |
0 |
0 |
0.000 |
| 8 |
21 |
|
B |
11 |
4 |
19488 |
◊ |
C |
-y+1,x-y,z |
2_655 |
11 |
4 |
19531 |
67.1 |
-1.8 |
0.259 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
11 |
4 |
19486 |
◊ |
D |
-y,x-y-1,z-1 |
2_544 |
11 |
4 |
19360 |
61.4 |
-1.8 |
0.275 |
0 |
0 |
0 |
0.000 |
| Average: |
64.3 |
-1.8 |
0.267 |
0 |
0 |
0 |
0.000 |
|