## |
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 |
85 |
28 |
14209 |
◊ |
A |
x,y,z |
1_555 |
96 |
29 |
14504 |
812.4 |
3.9 |
0.798 |
12 |
2 |
0 |
0.000 |
2 |
2 |
|
A |
55 |
14 |
14504 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
55 |
17 |
14504 |
558.5 |
-4.5 |
0.184 |
7 |
2 |
0 |
0.000 |
3 |
|
B |
55 |
14 |
14209 |
x |
B |
-x,y-1/2,-z |
2_545 |
54 |
17 |
14209 |
533.2 |
-4.7 |
0.161 |
8 |
2 |
0 |
0.000 |
Average: |
545.9 |
-4.6 |
0.172 |
8 |
2 |
0 |
0.000 |
3 |
4 |
|
A |
46 |
17 |
14504 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
45 |
14 |
14504 |
435.5 |
-4.3 |
0.167 |
5 |
0 |
0 |
0.000 |
5 |
|
B |
37 |
14 |
14209 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
32 |
10 |
14209 |
330.4 |
-2.5 |
0.196 |
4 |
0 |
0 |
0.000 |
Average: |
382.9 |
-3.4 |
0.181 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
35 |
12 |
14504 |
x |
A |
x-1,y,z |
1_455 |
41 |
11 |
14504 |
346.3 |
-1.2 |
0.399 |
3 |
1 |
0 |
0.000 |
7 |
|
B |
35 |
8 |
14209 |
x |
B |
x-1,y,z |
1_455 |
33 |
11 |
14209 |
336.2 |
-0.4 |
0.503 |
4 |
2 |
0 |
0.000 |
Average: |
341.2 |
-0.8 |
0.451 |
4 |
2 |
0 |
0.000 |
5 |
8 |
|
[DMS]B:309 |
4 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
14209 |
140.3 |
3.3 |
0.473 |
1 |
0 |
0 |
0.000 |
9 |
|
[DMS]A:309 |
4 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
14504 |
139.1 |
3.3 |
0.475 |
1 |
0 |
0 |
0.000 |
Average: |
139.7 |
3.3 |
0.474 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[DMS]A:310 |
4 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
14504 |
136.2 |
3.7 |
0.551 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[EDO]B:310 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
14209 |
120.3 |
4.4 |
0.517 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
[EDO]B:311 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14209 |
79.5 |
2.2 |
0.275 |
3 |
0 |
0 |
0.000 |
9 |
13 |
|
[PO4]B:901 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
14209 |
79.4 |
-4.8 |
0.769 |
6 |
0 |
0 |
0.024 |
14 |
|
[PO4]A:901 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14504 |
78.9 |
-4.8 |
0.768 |
6 |
0 |
0 |
0.024 |
Average: |
79.2 |
-4.8 |
0.768 |
6 |
0 |
0 |
0.024 |
10 |
15 |
|
[FE]B:902 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14209 |
48.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.029 |
16 |
|
[FE]A:902 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
14504 |
48.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
48.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.029 |
11 |
17 |
|
[FE]B:903 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
14209 |
46.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.028 |
18 |
|
[FE]A:903 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
14504 |
46.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
46.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.028 |
12 |
19 |
|
B |
4 |
1 |
14209 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
2 |
14504 |
46.5 |
0.7 |
0.808 |
1 |
2 |
0 |
0.000 |
13 |
20 |
|
A |
7 |
4 |
14504 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
5 |
14209 |
46.1 |
0.5 |
0.699 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]B:311 |
3 |
1 |
186 |
f |
B |
x-1,y,z |
1_455 |
6 |
2 |
14209 |
42.4 |
0.4 |
0.439 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
B |
9 |
5 |
14209 |
◊ |
[EDO]B:311 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
186 |
42.3 |
0.6 |
0.576 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[FE]B:902 |
1 |
1 |
137 |
f |
[PO4]B:901 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
24 |
|
[FE]A:902 |
1 |
1 |
137 |
f |
[PO4]A:901 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
29.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
17 |
25 |
|
[FE]B:903 |
1 |
1 |
137 |
f |
[PO4]B:901 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
26 |
|
[FE]A:903 |
1 |
1 |
137 |
f |
[PO4]A:901 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
29.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
18 |
27 |
|
B |
2 |
1 |
14209 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
14504 |
27.1 |
0.7 |
0.840 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[FE]B:903 |
1 |
1 |
137 |
f |
[FE]B:902 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.014 |
20 |
29 |
|
[FE]A:903 |
1 |
1 |
137 |
f |
[FE]A:902 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.013 |
|