| ## |
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 |
464 |
109 |
25304 |
◊ |
A |
x,y,z |
1_555 |
469 |
109 |
25230 |
4197.5 |
-27.4 |
0.268 |
57 |
41 |
0 |
0.512 |
2 |
|
D |
462 |
109 |
25439 |
◊ |
C |
x,y,z |
1_555 |
469 |
111 |
25113 |
4176.0 |
-30.3 |
0.204 |
55 |
35 |
0 |
0.512 |
| Average: |
4186.8 |
-28.9 |
0.236 |
56 |
38 |
0 |
0.512 |
| 2 |
3 |
|
D |
429 |
107 |
25439 |
◊ |
A |
x,y,z |
1_555 |
425 |
106 |
25230 |
4008.7 |
-42.6 |
0.027 |
55 |
4 |
0 |
0.559 |
4 |
|
C |
423 |
106 |
25113 |
◊ |
B |
x,y,z |
1_555 |
426 |
105 |
25304 |
3993.1 |
-42.9 |
0.026 |
53 |
4 |
0 |
0.559 |
| Average: |
4000.9 |
-42.7 |
0.026 |
54 |
4 |
0 |
0.559 |
| 3 |
5 |
|
D |
218 |
65 |
25439 |
◊ |
B |
x,y,z |
1_555 |
218 |
64 |
25304 |
1973.6 |
-14.9 |
0.249 |
31 |
6 |
0 |
0.348 |
6 |
|
C |
213 |
64 |
25113 |
◊ |
A |
x,y,z |
1_555 |
216 |
64 |
25230 |
1969.8 |
-14.8 |
0.252 |
32 |
6 |
0 |
0.348 |
| Average: |
1971.7 |
-14.8 |
0.251 |
32 |
6 |
0 |
0.348 |
| 4 |
7 |
|
[HEM]D:500 |
43 |
1 |
823 |
f |
D |
x,y,z |
1_555 |
96 |
29 |
25439 |
603.8 |
-15.0 |
0.705 |
4 |
0 |
0 |
0.455 |
8 |
|
[HEM]A:500 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
97 |
30 |
25230 |
600.9 |
-17.7 |
0.647 |
4 |
0 |
0 |
0.455 |
9 |
|
[HEM]C:500 |
43 |
1 |
820 |
f |
C |
x,y,z |
1_555 |
94 |
29 |
25113 |
599.3 |
-17.7 |
0.640 |
4 |
0 |
0 |
0.455 |
10 |
|
[HEM]B:500 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
97 |
29 |
25304 |
596.7 |
-20.2 |
0.492 |
4 |
0 |
0 |
0.455 |
| Average: |
600.2 |
-17.7 |
0.621 |
4 |
0 |
0 |
0.455 |
| 5 |
11 |
|
[NDP]A:501 |
45 |
1 |
791 |
f |
A |
x,y,z |
1_555 |
62 |
23 |
25230 |
533.4 |
-3.9 |
0.360 |
10 |
0 |
0 |
0.203 |
12 |
|
[NDP]D:501 |
44 |
1 |
791 |
f |
D |
x,y,z |
1_555 |
66 |
23 |
25439 |
530.3 |
-3.8 |
0.385 |
11 |
0 |
0 |
0.203 |
13 |
|
[NDP]B:501 |
44 |
1 |
786 |
f |
B |
x,y,z |
1_555 |
65 |
23 |
25304 |
525.1 |
-3.9 |
0.375 |
11 |
0 |
0 |
0.203 |
14 |
|
[NDP]C:501 |
44 |
1 |
786 |
f |
C |
x,y,z |
1_555 |
64 |
22 |
25113 |
523.8 |
-3.7 |
0.365 |
11 |
0 |
0 |
0.203 |
| Average: |
528.1 |
-3.8 |
0.371 |
11 |
0 |
0 |
0.203 |
| 6 |
15 |
|
A |
54 |
17 |
25230 |
◊ |
B |
x,y,z-1 |
1_554 |
42 |
13 |
25304 |
363.0 |
-3.3 |
0.418 |
1 |
0 |
0 |
0.000 |
| 7 |
16 |
|
B |
47 |
16 |
25304 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
10 |
25230 |
331.0 |
1.3 |
0.801 |
5 |
4 |
0 |
0.000 |
| 8 |
17 |
|
A |
31 |
10 |
25230 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
35 |
11 |
25439 |
280.3 |
1.2 |
0.791 |
3 |
3 |
0 |
0.000 |
| 9 |
18 |
|
C |
26 |
9 |
25113 |
◊ |
D |
x,y,z-1 |
1_554 |
25 |
8 |
25439 |
233.1 |
-2.9 |
0.252 |
3 |
0 |
0 |
0.000 |
| 10 |
19 |
|
A |
34 |
11 |
25230 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
30 |
8 |
25113 |
230.2 |
1.3 |
0.759 |
0 |
1 |
0 |
0.000 |
| 11 |
20 |
|
B |
21 |
7 |
25304 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
32 |
12 |
25113 |
189.5 |
-1.8 |
0.351 |
0 |
0 |
0 |
0.000 |
| 12 |
21 |
|
A |
18 |
6 |
25230 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
19 |
5 |
25113 |
165.0 |
-0.7 |
0.487 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
C |
16 |
7 |
25113 |
◊ |
D |
x-1,y,z-1 |
1_454 |
15 |
7 |
25439 |
150.9 |
0.8 |
0.724 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
B |
11 |
7 |
25304 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
7 |
25439 |
116.4 |
-0.3 |
0.572 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
A |
13 |
4 |
25230 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
4 |
25439 |
98.5 |
0.7 |
0.741 |
1 |
0 |
0 |
0.000 |
| 16 |
25 |
|
A |
7 |
3 |
25230 |
x |
A |
x,y,z-1 |
1_554 |
10 |
2 |
25230 |
89.5 |
-1.5 |
0.239 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
2 |
1 |
25439 |
x |
D |
x,y,z-1 |
1_554 |
3 |
2 |
25439 |
36.6 |
-1.0 |
0.118 |
0 |
0 |
0 |
0.000 |
| Average: |
63.1 |
-1.3 |
0.179 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[HEM]B:500 |
7 |
1 |
821 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
25230 |
69.1 |
-1.9 |
0.503 |
0 |
0 |
0 |
0.031 |
28 |
|
[HEM]A:500 |
7 |
1 |
822 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
25304 |
68.8 |
-1.9 |
0.520 |
0 |
0 |
0 |
0.031 |
29 |
|
[HEM]C:500 |
8 |
1 |
820 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
25439 |
66.6 |
-1.8 |
0.529 |
0 |
0 |
0 |
0.031 |
30 |
|
[HEM]D:500 |
8 |
1 |
823 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
25113 |
64.8 |
-1.8 |
0.509 |
0 |
0 |
0 |
0.031 |
| Average: |
67.3 |
-1.8 |
0.515 |
0 |
0 |
0 |
0.031 |
| 18 |
31 |
|
B |
5 |
1 |
25304 |
x |
B |
x,y,z-1 |
1_554 |
5 |
3 |
25304 |
34.7 |
0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
3 |
1 |
25113 |
x |
C |
x,y,z-1 |
1_554 |
7 |
2 |
25113 |
32.3 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
| Average: |
33.5 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
B |
3 |
2 |
25304 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
25439 |
17.7 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
| 20 |
34 |
|
B |
1 |
1 |
25304 |
◊ |
D |
x-1,y,z-1 |
1_454 |
2 |
1 |
25439 |
10.0 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
B |
1 |
1 |
25304 |
◊ |
[NDP]D:501 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
791 |
9.8 |
0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
|