## |
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 |
97 |
24 |
8201 |
◊ |
C |
x,y,z |
1_555 |
96 |
26 |
7688 |
942.4 |
-9.9 |
0.405 |
8 |
0 |
0 |
0.180 |
2 |
|
B |
94 |
24 |
8185 |
◊ |
A |
x,y,z |
1_555 |
95 |
25 |
7637 |
913.1 |
-10.0 |
0.358 |
8 |
0 |
0 |
0.180 |
Average: |
927.7 |
-9.9 |
0.382 |
8 |
0 |
0 |
0.180 |
2 |
3 |
|
[HEM]C:202 |
43 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
7688 |
565.3 |
-20.5 |
0.296 |
1 |
0 |
0 |
0.281 |
4 |
|
[HEM]A:201 |
43 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
71 |
26 |
7637 |
557.9 |
-19.5 |
0.385 |
1 |
0 |
0 |
0.281 |
Average: |
561.6 |
-20.0 |
0.341 |
1 |
0 |
0 |
0.281 |
3 |
5 |
|
[HEM]B:201 |
43 |
1 |
828 |
f |
B |
x,y,z |
1_555 |
59 |
24 |
8185 |
549.6 |
-18.6 |
0.335 |
1 |
0 |
0 |
0.251 |
6 |
|
[HEM]D:201 |
42 |
1 |
822 |
f |
D |
x,y,z |
1_555 |
60 |
23 |
8201 |
548.1 |
-18.1 |
0.404 |
1 |
0 |
0 |
0.251 |
Average: |
548.8 |
-18.4 |
0.370 |
1 |
0 |
0 |
0.251 |
4 |
7 |
|
B |
57 |
12 |
8185 |
◊ |
C |
x,y,z |
1_555 |
44 |
13 |
7688 |
444.4 |
-3.6 |
0.566 |
3 |
0 |
0 |
0.061 |
8 |
|
D |
53 |
11 |
8201 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
7637 |
426.1 |
-3.5 |
0.550 |
4 |
0 |
0 |
0.061 |
Average: |
435.3 |
-3.5 |
0.558 |
4 |
0 |
0 |
0.061 |
5 |
9 |
|
A |
42 |
15 |
7637 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
15 |
8185 |
370.5 |
-2.8 |
0.543 |
1 |
1 |
0 |
0.000 |
6 |
10 |
|
C |
39 |
14 |
7688 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
7637 |
355.9 |
-4.4 |
0.367 |
3 |
0 |
0 |
0.034 |
7 |
11 |
|
[VOP]C:205 |
23 |
1 |
640 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
7688 |
218.0 |
-1.9 |
0.388 |
3 |
0 |
0 |
0.043 |
12 |
|
[VOP]C:201 |
22 |
1 |
643 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
7637 |
214.4 |
-1.8 |
0.387 |
3 |
0 |
0 |
0.043 |
Average: |
216.2 |
-1.9 |
0.387 |
3 |
0 |
0 |
0.043 |
8 |
13 |
|
D |
20 |
7 |
8201 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
8185 |
211.3 |
-1.5 |
0.488 |
1 |
0 |
0 |
0.012 |
9 |
14 |
|
C |
33 |
12 |
7688 |
f |
[O4B]B:205 |
-x+1,y-1/2,-z |
2_645 |
17 |
1 |
461 |
206.1 |
-5.1 |
0.645 |
1 |
0 |
0 |
0.074 |
10 |
15 |
|
C |
26 |
10 |
7688 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
8201 |
205.1 |
-3.4 |
0.309 |
1 |
3 |
0 |
0.000 |
11 |
16 |
|
[VOP]C:201 |
24 |
1 |
643 |
◊ |
C |
x,y,z |
1_555 |
25 |
10 |
7688 |
201.9 |
1.5 |
0.623 |
1 |
0 |
0 |
0.000 |
17 |
|
[VOP]C:205 |
24 |
1 |
640 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
7637 |
200.7 |
1.4 |
0.599 |
1 |
0 |
0 |
0.000 |
Average: |
201.3 |
1.4 |
0.611 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[O4B]A:203 |
15 |
1 |
444 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
8 |
8185 |
201.1 |
-4.6 |
0.554 |
0 |
0 |
0 |
0.061 |
13 |
19 |
|
A |
21 |
5 |
7637 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
9 |
8185 |
184.3 |
-3.1 |
0.313 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
22 |
9 |
8201 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
5 |
7688 |
182.3 |
-3.0 |
0.349 |
0 |
0 |
0 |
0.000 |
Average: |
183.3 |
-3.1 |
0.331 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[O4B]B:204 |
17 |
1 |
460 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
8185 |
178.5 |
-2.2 |
0.817 |
5 |
0 |
0 |
0.059 |
15 |
22 |
|
[O4B]A:203 |
15 |
1 |
444 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
7637 |
174.1 |
-1.3 |
0.938 |
2 |
0 |
0 |
0.000 |
16 |
23 |
|
[O4B]C:204 |
17 |
1 |
456 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
7688 |
172.3 |
-2.2 |
0.882 |
5 |
0 |
0 |
0.060 |
17 |
24 |
|
[O4B]A:204 |
17 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
7637 |
166.6 |
-2.1 |
0.865 |
3 |
0 |
0 |
0.045 |
18 |
25 |
|
C |
14 |
7 |
7688 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
20 |
9 |
8201 |
157.3 |
-1.5 |
0.373 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
C |
13 |
6 |
7688 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
8185 |
156.9 |
1.0 |
0.738 |
1 |
2 |
0 |
0.000 |
20 |
27 |
|
[O4B]B:205 |
16 |
1 |
461 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
8185 |
142.1 |
-0.4 |
0.951 |
5 |
0 |
0 |
0.000 |
21 |
28 |
|
[VOP]C:205 |
18 |
1 |
640 |
◊ |
[VOP]C:201 |
x,y,z |
1_555 |
18 |
1 |
643 |
134.9 |
-0.3 |
0.370 |
1 |
0 |
0 |
0.005 |
22 |
29 |
|
D |
16 |
5 |
8201 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
4 |
8185 |
128.0 |
-2.2 |
0.374 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[O4B]B:203 |
16 |
1 |
462 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8185 |
124.8 |
-1.4 |
0.843 |
5 |
0 |
0 |
0.049 |
31 |
|
[O4B]D:203 |
17 |
1 |
458 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
8201 |
123.2 |
-1.4 |
0.836 |
5 |
0 |
0 |
0.049 |
Average: |
124.0 |
-1.4 |
0.839 |
5 |
0 |
0 |
0.049 |
24 |
32 |
|
A |
21 |
7 |
7637 |
◊ |
[O4B]B:203 |
x-1,y,z |
1_455 |
8 |
1 |
462 |
124.1 |
-3.0 |
0.666 |
0 |
0 |
0 |
0.000 |
33 |
|
[O4B]D:203 |
7 |
1 |
458 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
7 |
7688 |
123.0 |
-3.0 |
0.575 |
0 |
0 |
0 |
0.000 |
Average: |
123.6 |
-3.0 |
0.621 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
D |
10 |
3 |
8201 |
x |
D |
-x,y-1/2,-z |
2_545 |
9 |
4 |
8201 |
82.5 |
-0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[O4B]D:203 |
15 |
1 |
458 |
◊ |
[O4B]C:204 |
x-1,y,z |
1_455 |
6 |
1 |
456 |
82.2 |
-2.1 |
0.949 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[O4B]A:204 |
8 |
1 |
448 |
◊ |
[O4B]B:203 |
x-1,y,z |
1_455 |
16 |
1 |
462 |
76.6 |
-1.7 |
0.989 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
D |
8 |
3 |
8201 |
◊ |
A |
x,y,z-1 |
1_554 |
15 |
6 |
7637 |
69.5 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
C |
13 |
6 |
7688 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
7637 |
65.7 |
-0.4 |
0.615 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[CMO]D:202 |
2 |
1 |
135 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
8201 |
62.1 |
-1.1 |
0.613 |
0 |
0 |
0 |
0.015 |
31 |
40 |
|
[CMO]B:202 |
2 |
1 |
135 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
8185 |
61.8 |
-1.1 |
0.621 |
0 |
0 |
0 |
0.014 |
32 |
41 |
|
[CMO]A:202 |
2 |
1 |
136 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
7637 |
61.7 |
-0.5 |
0.757 |
0 |
0 |
0 |
0.007 |
33 |
42 |
|
[CMO]C:203 |
2 |
1 |
136 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
7688 |
61.3 |
-1.1 |
0.622 |
0 |
0 |
0 |
0.015 |
34 |
43 |
|
C |
7 |
2 |
7688 |
◊ |
[HEM]D:201 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
822 |
59.3 |
-2.5 |
0.555 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
A |
8 |
2 |
7637 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
9 |
5 |
8201 |
57.2 |
-0.7 |
0.371 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
D |
6 |
2 |
8201 |
◊ |
[O4B]B:204 |
x,y,z-1 |
1_554 |
8 |
1 |
460 |
56.0 |
-1.3 |
0.640 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[CMO]A:202 |
2 |
1 |
136 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
18 |
1 |
826 |
44.8 |
-1.2 |
0.866 |
0 |
0 |
0 |
0.016 |
38 |
47 |
|
[CMO]D:202 |
2 |
1 |
135 |
f |
[HEM]D:201 |
x,y,z |
1_555 |
18 |
1 |
822 |
44.7 |
-1.2 |
0.866 |
0 |
0 |
0 |
0.016 |
39 |
48 |
|
[CMO]C:203 |
2 |
1 |
136 |
f |
[HEM]C:202 |
x,y,z |
1_555 |
17 |
1 |
830 |
44.5 |
-1.2 |
0.866 |
0 |
0 |
0 |
0.016 |
40 |
49 |
|
[CMO]B:202 |
2 |
1 |
135 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
19 |
1 |
828 |
44.5 |
-1.2 |
0.866 |
0 |
0 |
0 |
0.016 |
41 |
50 |
|
C |
10 |
2 |
7688 |
◊ |
[O4B]B:204 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
460 |
44.0 |
-0.5 |
0.871 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
D |
7 |
1 |
8201 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
8185 |
37.5 |
0.3 |
0.723 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
C |
8 |
4 |
7688 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
8185 |
31.7 |
0.7 |
0.796 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
C |
2 |
1 |
7688 |
◊ |
[O4B]C:204 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
456 |
27.5 |
-0.8 |
0.448 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[VOP]C:201 |
3 |
1 |
643 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
2 |
8201 |
23.8 |
0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
D |
1 |
1 |
8201 |
◊ |
[O4B]C:204 |
x-1,y,z |
1_455 |
2 |
1 |
456 |
19.9 |
0.4 |
0.931 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[O4B]A:204 |
4 |
1 |
448 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
8185 |
15.8 |
0.3 |
0.965 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
D |
3 |
1 |
8201 |
◊ |
[HEM]C:202 |
x-1,y,z |
1_455 |
1 |
1 |
830 |
12.7 |
-0.8 |
0.393 |
0 |
0 |
0 |
0.000 |
58 |
|
[HEM]A:201 |
1 |
1 |
826 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
8185 |
11.8 |
-0.7 |
0.386 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
-0.8 |
0.390 |
0 |
0 |
0 |
0.000 |
49 |
59 |
|
[VOP]C:205 |
2 |
1 |
640 |
◊ |
[O4B]B:204 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
460 |
7.8 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
50 |
60 |
|
[HEM]C:202 |
2 |
1 |
830 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
8201 |
5.6 |
-0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
C |
1 |
1 |
7688 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
8185 |
3.5 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
C |
1 |
1 |
7688 |
◊ |
[O4B]B:204 |
x,y,z-1 |
1_554 |
1 |
1 |
460 |
0.2 |
-0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
|