## |
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 |
94 |
25 |
8025 |
◊ |
C |
x,y,z |
1_555 |
96 |
26 |
7744 |
905.2 |
-10.9 |
0.374 |
7 |
0 |
0 |
0.264 |
2 |
|
B |
92 |
24 |
7967 |
◊ |
A |
x,y,z |
1_555 |
90 |
25 |
7542 |
867.1 |
-10.5 |
0.351 |
8 |
0 |
0 |
0.264 |
Average: |
886.1 |
-10.7 |
0.363 |
8 |
0 |
0 |
0.264 |
2 |
3 |
|
[HEM]A:202 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
69 |
27 |
7542 |
570.8 |
-20.3 |
0.299 |
1 |
0 |
0 |
0.372 |
4 |
|
[HEM]C:202 |
43 |
1 |
831 |
f |
C |
x,y,z |
1_555 |
67 |
24 |
7744 |
551.2 |
-18.8 |
0.315 |
0 |
0 |
0 |
0.372 |
Average: |
561.0 |
-19.6 |
0.307 |
1 |
0 |
0 |
0.372 |
3 |
5 |
|
[HEM]D:202 |
43 |
1 |
840 |
f |
D |
x,y,z |
1_555 |
65 |
25 |
8025 |
546.8 |
-18.9 |
0.320 |
0 |
0 |
0 |
0.357 |
6 |
|
[HEM]B:202 |
43 |
1 |
832 |
f |
B |
x,y,z |
1_555 |
63 |
25 |
7967 |
540.4 |
-18.6 |
0.295 |
0 |
0 |
0 |
0.357 |
Average: |
543.6 |
-18.8 |
0.307 |
0 |
0 |
0 |
0.357 |
4 |
7 |
|
D |
53 |
11 |
8025 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
7542 |
425.9 |
-2.6 |
0.670 |
3 |
2 |
0 |
0.067 |
8 |
|
B |
50 |
11 |
7967 |
◊ |
C |
x,y,z |
1_555 |
47 |
14 |
7744 |
388.3 |
-2.3 |
0.669 |
4 |
0 |
0 |
0.067 |
Average: |
407.1 |
-2.4 |
0.670 |
4 |
1 |
0 |
0.067 |
5 |
9 |
|
C |
39 |
13 |
7744 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
7542 |
368.3 |
-5.0 |
0.343 |
4 |
0 |
0 |
0.055 |
6 |
10 |
|
[V1M]A:203 |
21 |
1 |
509 |
cf |
A |
x,y,z |
1_555 |
33 |
12 |
7542 |
248.5 |
3.7 |
0.381 |
0 |
0 |
0 |
0.000 |
11 |
|
[V1M]C:203 |
21 |
1 |
519 |
cf |
C |
x,y,z |
1_555 |
33 |
11 |
7744 |
248.0 |
4.2 |
0.402 |
0 |
0 |
0 |
0.000 |
Average: |
248.2 |
4.0 |
0.392 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
A |
24 |
6 |
7542 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
23 |
9 |
7542 |
207.1 |
0.1 |
0.753 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
D |
25 |
8 |
8025 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
23 |
9 |
8025 |
193.8 |
0.6 |
0.783 |
3 |
1 |
0 |
0.000 |
9 |
14 |
|
A |
19 |
12 |
7542 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
24 |
8 |
7967 |
179.4 |
-0.3 |
0.716 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
18 |
6 |
8025 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
7967 |
144.7 |
0.7 |
0.796 |
2 |
0 |
0 |
0.002 |
11 |
16 |
|
B |
19 |
7 |
7967 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
15 |
4 |
8025 |
143.7 |
-0.9 |
0.578 |
1 |
2 |
0 |
0.000 |
12 |
17 |
|
C |
13 |
4 |
7744 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
5 |
7542 |
130.2 |
-1.4 |
0.538 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[V1M]C:203 |
17 |
1 |
519 |
◊ |
[V1M]A:203 |
x,y,z |
1_555 |
16 |
1 |
509 |
119.8 |
1.5 |
0.061 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[V1M]A:203 |
17 |
1 |
509 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7744 |
96.1 |
-0.2 |
0.086 |
0 |
0 |
0 |
0.002 |
15 |
20 |
|
[V1M]C:203 |
18 |
1 |
519 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7542 |
94.6 |
0.0 |
0.126 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
C |
12 |
6 |
7744 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
4 |
7967 |
94.1 |
-0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
A |
15 |
4 |
7542 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
5 |
7967 |
79.9 |
0.7 |
0.794 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
C |
17 |
6 |
7744 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
8025 |
79.3 |
-0.3 |
0.682 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
B |
10 |
4 |
7967 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
8025 |
72.3 |
-1.6 |
0.299 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
C |
8 |
3 |
7744 |
◊ |
[HEM]D:202 |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
1 |
840 |
67.7 |
-2.3 |
0.593 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[CMO]D:201 |
2 |
1 |
135 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
8025 |
62.9 |
-0.8 |
0.686 |
0 |
0 |
0 |
0.015 |
22 |
27 |
|
[CMO]C:201 |
2 |
1 |
135 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
7744 |
62.6 |
-0.7 |
0.710 |
0 |
0 |
0 |
0.014 |
23 |
28 |
|
[CMO]A:201 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7542 |
62.5 |
-0.7 |
0.698 |
1 |
0 |
0 |
0.021 |
24 |
29 |
|
[CMO]B:201 |
2 |
1 |
135 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
7967 |
61.3 |
-0.7 |
0.677 |
0 |
0 |
0 |
0.013 |
25 |
30 |
|
[HEM]D:202 |
18 |
1 |
840 |
cf |
[CMO]D:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
44.5 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.037 |
26 |
31 |
|
[HEM]C:202 |
16 |
1 |
831 |
cf |
[CMO]C:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
44.1 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.037 |
27 |
32 |
|
[HEM]B:202 |
17 |
1 |
832 |
cf |
[CMO]B:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
43.7 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.035 |
28 |
33 |
|
[HEM]A:202 |
16 |
1 |
822 |
cf |
[CMO]A:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
43.6 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.036 |
29 |
34 |
|
B |
3 |
1 |
7967 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
1 |
7744 |
38.3 |
-0.2 |
0.636 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
A |
3 |
2 |
7542 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
2 |
7744 |
29.4 |
-0.9 |
0.265 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
A |
7 |
3 |
7542 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
3 |
7744 |
26.0 |
0.9 |
0.862 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
C |
5 |
2 |
7744 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
8025 |
24.5 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[HEM]A:202 |
2 |
1 |
822 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
7967 |
11.6 |
-0.8 |
0.421 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
D |
3 |
2 |
8025 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
7967 |
9.8 |
0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
D |
2 |
1 |
8025 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
7542 |
1.9 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
|