## |
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 |
201 |
48 |
10993 |
◊ |
A |
x,y,z |
1_555 |
193 |
47 |
11075 |
1863.7 |
-21.6 |
0.127 |
18 |
8 |
0 |
0.362 |
2 |
2 |
|
A |
81 |
24 |
11075 |
◊ |
B |
x-1,y,z |
1_455 |
82 |
27 |
10993 |
823.6 |
-5.8 |
0.356 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
57 |
16 |
11075 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
46 |
13 |
10993 |
506.8 |
-6.6 |
0.172 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
50 |
14 |
10993 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
47 |
15 |
11075 |
429.0 |
-1.7 |
0.573 |
6 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
15 |
5 |
11075 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
11075 |
121.2 |
0.2 |
0.707 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
7 |
2 |
10993 |
x |
B |
x-1,y,z |
1_455 |
9 |
4 |
10993 |
79.8 |
-0.2 |
0.360 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
6 |
2 |
10993 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
5 |
10993 |
74.5 |
1.9 |
0.824 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
9 |
5 |
11075 |
x |
A |
x-1,y,z |
1_455 |
4 |
1 |
11075 |
59.8 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
11075 |
45.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.125 |
10 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
10993 |
44.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
44.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.125 |
10 |
11 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
10993 |
41.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.246 |
12 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11075 |
40.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.246 |
13 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10993 |
39.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.246 |
Average: |
40.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.246 |
11 |
14 |
|
[PER]A:303 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
11075 |
40.7 |
0.2 |
0.596 |
2 |
0 |
0 |
0.008 |
12 |
15 |
|
[PER]B:303 |
2 |
1 |
124 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
10993 |
40.7 |
0.5 |
0.805 |
2 |
0 |
0 |
0.004 |
13 |
16 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
11075 |
39.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.083 |
14 |
17 |
|
[PER]B:303 |
2 |
1 |
124 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11075 |
29.0 |
-0.3 |
0.542 |
0 |
0 |
0 |
0.003 |
15 |
18 |
|
[PER]A:303 |
2 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
10993 |
25.7 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.002 |
16 |
19 |
|
[O]B:304 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
10993 |
24.6 |
0.6 |
0.837 |
0 |
0 |
0 |
0.000 |
20 |
|
[O]A:304 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11075 |
24.0 |
0.3 |
0.504 |
0 |
0 |
0 |
0.000 |
Average: |
24.3 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[PER]B:303 |
2 |
1 |
124 |
f |
[FE]B:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.021 |
18 |
22 |
|
[PER]A:303 |
2 |
1 |
125 |
f |
[FE]A:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
19 |
23 |
|
[O]B:304 |
1 |
1 |
99 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.018 |
20 |
24 |
|
[PER]B:303 |
2 |
1 |
124 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.020 |
21 |
25 |
|
[O]B:304 |
1 |
1 |
99 |
f |
[FE]B:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
22 |
26 |
|
[PER]A:303 |
2 |
1 |
125 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.020 |
23 |
27 |
|
[O]A:304 |
1 |
1 |
99 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
24 |
28 |
|
[O]A:304 |
1 |
1 |
99 |
f |
[FE]A:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
25 |
29 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.043 |
26 |
30 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.042 |
27 |
31 |
|
[FE]B:302 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11075 |
15.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.037 |
32 |
|
[FE]A:302 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
10993 |
14.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
15.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.037 |
28 |
33 |
|
[FE]B:301 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11075 |
14.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.033 |
34 |
|
[FE]A:301 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10993 |
14.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
14.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.033 |
29 |
35 |
|
[O]B:304 |
1 |
1 |
99 |
f |
[PER]B:303 |
x,y,z |
1_555 |
2 |
1 |
124 |
12.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[O]A:304 |
1 |
1 |
99 |
f |
[PER]A:303 |
x,y,z |
1_555 |
2 |
1 |
125 |
12.2 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[O]A:304 |
1 |
1 |
99 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10993 |
3.3 |
-0.0 |
0.737 |
0 |
0 |
0 |
0.000 |
|