| ## |
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 |
|
E |
105 |
29 |
8617 |
◊ |
A |
x,y,z |
1_555 |
105 |
29 |
8507 |
1044.2 |
-9.7 |
0.477 |
7 |
0 |
0 |
0.483 |
2 |
|
F |
104 |
29 |
8455 |
◊ |
B |
x,y,z |
1_555 |
104 |
29 |
8522 |
1010.9 |
-9.2 |
0.508 |
8 |
0 |
0 |
0.483 |
3 |
|
H |
104 |
28 |
8309 |
◊ |
C |
x,y,z |
1_555 |
105 |
30 |
8519 |
1005.6 |
-8.7 |
0.475 |
8 |
0 |
0 |
0.483 |
4 |
|
D |
99 |
29 |
8440 |
◊ |
G |
z,x,y |
5_555 |
99 |
28 |
8549 |
983.6 |
-8.3 |
0.501 |
9 |
0 |
0 |
0.483 |
| Average: |
1011.1 |
-9.0 |
0.490 |
8 |
0 |
0 |
0.483 |
| 2 |
5 |
|
G |
51 |
13 |
8549 |
◊ |
D |
x,y,z |
1_555 |
46 |
14 |
8440 |
488.8 |
-4.7 |
0.433 |
6 |
3 |
0 |
0.203 |
6 |
|
F |
49 |
14 |
8455 |
◊ |
E |
x,y,z |
1_555 |
47 |
14 |
8617 |
482.3 |
-4.7 |
0.409 |
5 |
3 |
0 |
0.203 |
7 |
|
F |
46 |
13 |
8455 |
◊ |
B |
z,x,y |
5_555 |
48 |
13 |
8522 |
470.7 |
-5.0 |
0.418 |
5 |
3 |
0 |
0.203 |
8 |
|
D |
49 |
14 |
8440 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
8507 |
467.8 |
-3.9 |
0.508 |
5 |
4 |
0 |
0.203 |
9 |
|
C |
52 |
13 |
8519 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
8522 |
463.4 |
-4.6 |
0.438 |
6 |
3 |
0 |
0.203 |
10 |
|
E |
49 |
13 |
8617 |
◊ |
C |
z,x,y |
5_555 |
42 |
12 |
8519 |
453.3 |
-4.1 |
0.464 |
5 |
3 |
0 |
0.203 |
11 |
|
H |
45 |
13 |
8309 |
◊ |
G |
x,y,z |
1_555 |
41 |
12 |
8549 |
405.6 |
-3.1 |
0.513 |
5 |
3 |
0 |
0.203 |
12 |
|
H |
43 |
12 |
8309 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
8507 |
386.3 |
-1.5 |
0.676 |
6 |
4 |
0 |
0.203 |
| Average: |
452.3 |
-3.9 |
0.482 |
5 |
3 |
0 |
0.203 |
| 3 |
13 |
|
F |
49 |
12 |
8455 |
x |
C |
x,y,z |
1_555 |
49 |
12 |
8519 |
438.3 |
-7.3 |
0.230 |
2 |
1 |
0 |
0.383 |
14 |
|
F |
50 |
12 |
8455 |
x |
A |
x,y,z |
1_555 |
48 |
12 |
8507 |
437.7 |
-7.4 |
0.224 |
1 |
2 |
0 |
0.383 |
15 |
|
B |
46 |
12 |
8522 |
x |
B |
z,x,y |
5_555 |
48 |
12 |
8522 |
435.0 |
-7.0 |
0.246 |
2 |
2 |
0 |
0.383 |
16 |
|
E |
46 |
11 |
8617 |
x |
H |
z,x,y |
5_555 |
44 |
11 |
8309 |
434.4 |
-7.5 |
0.167 |
2 |
2 |
0 |
0.383 |
17 |
|
G |
52 |
12 |
8549 |
x |
G |
z,x,y |
5_555 |
47 |
12 |
8549 |
432.7 |
-7.2 |
0.221 |
2 |
2 |
0 |
0.383 |
18 |
|
D |
46 |
12 |
8440 |
x |
H |
z,x,y |
5_555 |
50 |
12 |
8309 |
431.8 |
-7.1 |
0.204 |
1 |
1 |
0 |
0.383 |
19 |
|
C |
49 |
12 |
8519 |
x |
A |
x,y,z |
1_555 |
49 |
12 |
8507 |
431.4 |
-7.1 |
0.250 |
2 |
1 |
0 |
0.383 |
20 |
|
E |
48 |
12 |
8617 |
x |
D |
x,y,z |
1_555 |
52 |
12 |
8440 |
431.4 |
-7.1 |
0.252 |
2 |
2 |
0 |
0.383 |
| Average: |
434.1 |
-7.2 |
0.224 |
2 |
2 |
0 |
0.383 |
| 4 |
21 |
|
H |
36 |
9 |
8309 |
◊ |
H |
-x,y,-z-1 |
3_554 |
36 |
9 |
8309 |
338.7 |
0.8 |
0.826 |
0 |
4 |
0 |
0.000 |
22 |
|
F |
20 |
7 |
8455 |
◊ |
F |
-x,-y,z |
2_555 |
21 |
7 |
8455 |
209.0 |
0.7 |
0.825 |
2 |
4 |
0 |
0.000 |
23 |
|
E |
12 |
4 |
8617 |
◊ |
E |
x,-y,-z-1 |
4_554 |
12 |
4 |
8617 |
138.6 |
3.0 |
0.955 |
0 |
0 |
0 |
0.000 |
| Average: |
228.8 |
1.5 |
0.869 |
1 |
3 |
0 |
0.000 |
| 5 |
24 |
|
F |
21 |
8 |
8455 |
◊ |
B |
-x,-y,z |
2_555 |
17 |
6 |
8522 |
195.5 |
-3.8 |
0.216 |
1 |
0 |
0 |
0.000 |
| 6 |
25 |
|
E |
18 |
7 |
8617 |
◊ |
A |
x,-y,-z-1 |
4_554 |
14 |
5 |
8507 |
167.6 |
-3.3 |
0.220 |
0 |
0 |
0 |
0.000 |
| 7 |
26 |
|
H |
18 |
6 |
8309 |
◊ |
C |
-x,y,-z-1 |
3_554 |
15 |
6 |
8519 |
166.3 |
-3.0 |
0.234 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
17 |
5 |
8440 |
◊ |
G |
-z-1,x,-y-1 |
8_454 |
12 |
5 |
8549 |
146.6 |
-3.1 |
0.204 |
0 |
0 |
0 |
0.000 |
| Average: |
156.5 |
-3.0 |
0.219 |
0 |
0 |
0 |
0.000 |
| 8 |
28 |
|
G |
18 |
9 |
8549 |
◊ |
G |
x,-y-1,-z-1 |
4_544 |
18 |
9 |
8549 |
120.7 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
| 9 |
29 |
|
B |
12 |
6 |
8522 |
◊ |
B |
-x,-y,z |
2_555 |
12 |
6 |
8522 |
113.0 |
-0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
20 |
9 |
8507 |
◊ |
A |
x,-y,-z-1 |
4_554 |
20 |
9 |
8507 |
107.4 |
-0.9 |
0.647 |
0 |
0 |
0 |
0.000 |
31 |
|
C |
7 |
4 |
8519 |
◊ |
C |
-x,y,-z-1 |
3_554 |
7 |
4 |
8519 |
40.7 |
-1.1 |
0.366 |
0 |
0 |
0 |
0.000 |
| Average: |
87.0 |
-0.7 |
0.574 |
0 |
0 |
0 |
0.000 |
| 10 |
32 |
|
[FE]G:201 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
8549 |
80.4 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.691 |
33 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
8519 |
79.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.691 |
34 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
8455 |
79.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.691 |
35 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
12 |
8 |
8617 |
79.3 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.691 |
36 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8507 |
78.8 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.691 |
37 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
8440 |
77.9 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.691 |
38 |
|
[FE]H:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
8309 |
77.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.691 |
| Average: |
79.0 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.691 |
| 11 |
39 |
|
D |
12 |
7 |
8440 |
◊ |
D |
-x-1,y,-z-1 |
3_454 |
10 |
6 |
8440 |
56.4 |
-0.6 |
0.579 |
0 |
0 |
0 |
0.000 |
| 12 |
40 |
|
H |
2 |
2 |
8309 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8440 |
16.7 |
-0.5 |
0.259 |
0 |
0 |
0 |
0.007 |
41 |
|
F |
2 |
2 |
8455 |
◊ |
C |
z,x,y |
5_555 |
2 |
2 |
8519 |
14.6 |
-0.5 |
0.299 |
0 |
0 |
0 |
0.007 |
42 |
|
G |
2 |
2 |
8549 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8507 |
13.8 |
-0.4 |
0.304 |
0 |
0 |
0 |
0.007 |
43 |
|
E |
2 |
2 |
8617 |
◊ |
B |
z,x,y |
5_555 |
2 |
2 |
8522 |
13.4 |
-0.4 |
0.316 |
0 |
0 |
0 |
0.007 |
| Average: |
14.6 |
-0.5 |
0.295 |
0 |
0 |
0 |
0.007 |
|