| ## |
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 |
115 |
34 |
7749 |
◊ |
C |
x,y,z |
1_555 |
117 |
34 |
7661 |
1175.2 |
-18.0 |
0.169 |
19 |
8 |
0 |
0.522 |
2 |
|
B |
118 |
34 |
7749 |
◊ |
A |
x,y,z |
1_555 |
118 |
34 |
7713 |
1128.1 |
-16.6 |
0.168 |
19 |
8 |
0 |
0.522 |
| Average: |
1151.6 |
-17.3 |
0.168 |
19 |
8 |
0 |
0.522 |
| 2 |
3 |
|
A |
46 |
12 |
7713 |
x |
C |
-y,x-y,z |
2_555 |
43 |
9 |
7661 |
413.6 |
-3.9 |
0.521 |
2 |
4 |
0 |
0.121 |
4 |
|
C |
48 |
12 |
7661 |
x |
B |
x,y,z |
1_555 |
43 |
9 |
7749 |
412.4 |
-3.9 |
0.537 |
2 |
4 |
0 |
0.121 |
5 |
|
A |
43 |
9 |
7713 |
x |
B |
-y,x-y,z |
2_555 |
45 |
12 |
7749 |
408.6 |
-3.9 |
0.516 |
2 |
4 |
0 |
0.121 |
6 |
|
D |
42 |
9 |
7749 |
x |
D |
-y,x-y,z |
2_555 |
46 |
12 |
7749 |
408.6 |
-3.8 |
0.516 |
2 |
4 |
0 |
0.121 |
| Average: |
410.8 |
-3.9 |
0.523 |
2 |
4 |
0 |
0.121 |
| 3 |
7 |
|
C |
44 |
11 |
7661 |
x |
D |
-y,x-y,z |
2_555 |
45 |
13 |
7749 |
400.2 |
-6.5 |
0.299 |
3 |
0 |
0 |
0.509 |
8 |
|
B |
43 |
11 |
7749 |
x |
B |
-y,x-y,z |
2_555 |
47 |
13 |
7749 |
396.9 |
-6.5 |
0.302 |
3 |
0 |
0 |
0.509 |
9 |
|
A |
48 |
13 |
7713 |
x |
D |
-y,x-y,z |
2_555 |
42 |
11 |
7749 |
394.9 |
-6.4 |
0.296 |
3 |
0 |
0 |
0.509 |
10 |
|
C |
46 |
12 |
7661 |
x |
A |
x,y,z |
1_555 |
43 |
11 |
7713 |
391.8 |
-6.4 |
0.305 |
3 |
0 |
0 |
0.509 |
| Average: |
395.9 |
-6.5 |
0.300 |
3 |
0 |
0 |
0.509 |
| 4 |
11 |
|
[MPD]B:2001 |
7 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
7713 |
120.3 |
-8.0 |
0.543 |
0 |
0 |
0 |
0.116 |
| 5 |
12 |
|
[MPD]B:2001 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
7749 |
119.9 |
-8.1 |
0.619 |
4 |
0 |
0 |
0.387 |
| 6 |
13 |
|
D |
4 |
1 |
7749 |
◊ |
A |
x-1/3,y+1/3,z+1/3 |
4_455 |
8 |
3 |
7713 |
58.0 |
0.7 |
0.795 |
2 |
1 |
0 |
0.000 |
14 |
|
D |
8 |
3 |
7749 |
◊ |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
6 |
2 |
7749 |
50.2 |
0.9 |
0.834 |
2 |
1 |
0 |
0.000 |
| Average: |
54.1 |
0.8 |
0.815 |
2 |
1 |
0 |
0.000 |
| 7 |
15 |
|
[FE]A:152 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
7749 |
50.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.438 |
16 |
|
[FE]D:153 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
7661 |
50.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.438 |
17 |
|
[FE]C:154 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
7749 |
49.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.438 |
18 |
|
[FE]B:151 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7713 |
49.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.438 |
| Average: |
49.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.438 |
| 8 |
19 |
|
D |
8 |
5 |
7749 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
6 |
4 |
7749 |
50.4 |
3.4 |
0.982 |
0 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[FE]C:154 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7661 |
50.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.223 |
21 |
|
[FE]B:151 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7749 |
50.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.223 |
22 |
|
[FE]D:153 |
1 |
1 |
137 |
c |
D |
x,y,z |
1_555 |
6 |
2 |
7749 |
49.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.223 |
23 |
|
[FE]A:152 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7713 |
49.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.223 |
| Average: |
49.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.223 |
| 10 |
24 |
|
C |
4 |
1 |
7661 |
x |
C |
-y-1,x-y,z |
2_455 |
6 |
2 |
7661 |
25.8 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
| 11 |
25 |
|
C |
4 |
3 |
7661 |
◊ |
B |
-y-1,x-y,z |
2_455 |
6 |
3 |
7749 |
21.3 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[FE]B:151 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
7661 |
7.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.053 |
27 |
|
[FE]A:152 |
1 |
1 |
137 |
◊ |
B |
-y,x-y,z |
2_555 |
2 |
2 |
7749 |
7.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.053 |
28 |
|
A |
2 |
2 |
7713 |
◊ |
[FE]C:154 |
-y,x-y,z |
2_555 |
1 |
1 |
137 |
7.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.053 |
29 |
|
[FE]D:153 |
1 |
1 |
137 |
◊ |
D |
-y,x-y,z |
2_555 |
2 |
2 |
7749 |
6.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
7.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.053 |
|