## |
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 |
|
C |
191 |
53 |
14296 |
◊ |
A |
x,y,z |
1_555 |
191 |
53 |
14320 |
1919.7 |
-17.4 |
0.140 |
17 |
14 |
0 |
0.370 |
2 |
|
D |
191 |
52 |
14547 |
◊ |
B |
x,y,z |
1_555 |
185 |
54 |
14296 |
1900.0 |
-18.4 |
0.106 |
16 |
11 |
0 |
0.370 |
Average: |
1909.9 |
-17.9 |
0.123 |
17 |
13 |
0 |
0.370 |
2 |
3 |
|
D |
95 |
26 |
14547 |
◊ |
A |
x,y,z |
1_555 |
96 |
27 |
14320 |
977.9 |
-2.4 |
0.645 |
19 |
15 |
0 |
0.137 |
4 |
|
C |
91 |
25 |
14296 |
◊ |
B |
x,y,z |
1_555 |
93 |
25 |
14296 |
973.9 |
-2.5 |
0.635 |
18 |
16 |
0 |
0.137 |
Average: |
975.9 |
-2.4 |
0.640 |
19 |
16 |
0 |
0.137 |
3 |
5 |
|
B |
75 |
23 |
14296 |
◊ |
A |
x,y,z |
1_555 |
72 |
24 |
14320 |
683.0 |
-2.5 |
0.587 |
10 |
2 |
0 |
0.078 |
6 |
|
D |
74 |
24 |
14547 |
◊ |
C |
x,y,z |
1_555 |
71 |
24 |
14296 |
681.3 |
-1.9 |
0.624 |
11 |
5 |
0 |
0.078 |
Average: |
682.1 |
-2.2 |
0.606 |
11 |
4 |
0 |
0.078 |
4 |
7 |
|
A |
38 |
15 |
14320 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
15 |
14296 |
338.7 |
1.6 |
0.799 |
4 |
4 |
0 |
0.000 |
5 |
8 |
|
[HPX]C:406 |
16 |
1 |
423 |
f |
C |
x,y,z |
1_555 |
56 |
23 |
14296 |
292.9 |
-5.9 |
0.319 |
5 |
0 |
0 |
0.223 |
9 |
|
[HPX]A:406 |
16 |
1 |
424 |
f |
A |
x,y,z |
1_555 |
56 |
24 |
14320 |
292.2 |
-6.0 |
0.318 |
5 |
0 |
0 |
0.223 |
10 |
|
[HPX]D:406 |
16 |
1 |
424 |
f |
D |
x,y,z |
1_555 |
53 |
23 |
14547 |
287.3 |
-5.7 |
0.331 |
5 |
0 |
0 |
0.223 |
11 |
|
[HPX]B:406 |
16 |
1 |
422 |
f |
B |
x,y,z |
1_555 |
54 |
23 |
14296 |
285.7 |
-6.1 |
0.282 |
3 |
0 |
0 |
0.223 |
Average: |
289.5 |
-5.9 |
0.312 |
5 |
0 |
0 |
0.223 |
6 |
12 |
|
B |
28 |
8 |
14296 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
31 |
9 |
14296 |
266.0 |
0.6 |
0.727 |
2 |
2 |
0 |
0.000 |
7 |
13 |
|
D |
22 |
5 |
14547 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
25 |
8 |
14296 |
222.7 |
-1.9 |
0.368 |
3 |
2 |
0 |
0.000 |
8 |
14 |
|
B |
16 |
4 |
14296 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
6 |
14547 |
151.6 |
-1.0 |
0.486 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
C |
14 |
5 |
14296 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
5 |
14296 |
110.3 |
0.6 |
0.637 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
D |
8 |
3 |
14547 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
14320 |
81.9 |
-0.8 |
0.418 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
7 |
3 |
14296 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
14320 |
81.1 |
-0.7 |
0.434 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
8 |
4 |
14296 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
14320 |
70.2 |
1.9 |
0.921 |
2 |
4 |
0 |
0.000 |
13 |
19 |
|
C |
9 |
5 |
14296 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
5 |
14320 |
62.6 |
-0.0 |
0.621 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[FE]A:400 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14320 |
57.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.294 |
21 |
|
[FE]D:400 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
14547 |
56.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.294 |
22 |
|
[FE]C:400 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
14296 |
56.6 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.294 |
23 |
|
[FE]B:400 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
14296 |
55.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.294 |
Average: |
56.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.294 |
15 |
24 |
|
[PEO]B:401 |
2 |
1 |
124 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
14296 |
50.3 |
-0.7 |
0.162 |
3 |
0 |
0 |
0.026 |
16 |
25 |
|
B |
7 |
3 |
14296 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
14547 |
49.6 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[PEO]D:401 |
2 |
1 |
124 |
f |
D |
x,y,z |
1_555 |
12 |
9 |
14547 |
47.4 |
-0.6 |
0.110 |
2 |
0 |
0 |
0.020 |
18 |
27 |
|
[PEO]A:401 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
15 |
11 |
14320 |
47.2 |
0.6 |
0.610 |
3 |
0 |
0 |
0.010 |
19 |
28 |
|
[PEO]C:401 |
2 |
1 |
124 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
14296 |
46.0 |
0.6 |
0.544 |
2 |
0 |
0 |
0.003 |
20 |
29 |
|
[PEO]D:401 |
2 |
1 |
124 |
f |
[FE]D:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
30 |
|
[PEO]C:401 |
2 |
1 |
124 |
f |
[FE]C:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.069 |
31 |
|
[PEO]A:401 |
2 |
1 |
124 |
f |
[FE]A:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
27.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.069 |
22 |
32 |
|
[PEO]B:401 |
2 |
1 |
124 |
f |
[FE]B:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.034 |
23 |
33 |
|
[HPX]B:406 |
3 |
1 |
422 |
f |
[PEO]B:401 |
x,y,z |
1_555 |
2 |
1 |
124 |
24.2 |
0.5 |
0.938 |
1 |
0 |
0 |
0.000 |
24 |
34 |
|
[HPX]C:406 |
3 |
1 |
423 |
f |
[PEO]C:401 |
x,y,z |
1_555 |
1 |
1 |
124 |
22.3 |
0.4 |
0.929 |
1 |
0 |
0 |
0.000 |
25 |
35 |
|
[HPX]A:406 |
3 |
1 |
424 |
f |
[PEO]A:401 |
x,y,z |
1_555 |
1 |
1 |
124 |
22.0 |
0.4 |
0.929 |
1 |
0 |
0 |
0.000 |
26 |
36 |
|
[HPX]D:406 |
3 |
1 |
424 |
f |
[PEO]D:401 |
x,y,z |
1_555 |
2 |
1 |
124 |
21.8 |
0.4 |
0.935 |
1 |
0 |
0 |
0.000 |
27 |
37 |
|
[HPX]B:406 |
3 |
1 |
422 |
f |
[FE]B:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
15.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.035 |
38 |
|
[HPX]C:406 |
3 |
1 |
423 |
f |
[FE]C:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.035 |
39 |
|
[HPX]A:406 |
3 |
1 |
424 |
f |
[FE]A:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.035 |
40 |
|
[HPX]D:406 |
3 |
1 |
424 |
f |
[FE]D:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
14.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.035 |
28 |
41 |
|
D |
1 |
1 |
14547 |
x |
D |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
14547 |
4.2 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
D |
1 |
1 |
14547 |
◊ |
[HPX]B:406 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
422 |
2.4 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
|