## |
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 |
419 |
109 |
18058 |
◊ |
B |
x,y,z |
1_555 |
424 |
110 |
18108 |
3917.2 |
-39.2 |
0.080 |
46 |
16 |
0 |
0.442 |
2 |
|
C |
420 |
109 |
18071 |
◊ |
A |
x,y,z |
1_555 |
416 |
109 |
18086 |
3876.1 |
-40.4 |
0.060 |
48 |
17 |
0 |
0.442 |
Average: |
3896.7 |
-39.8 |
0.070 |
47 |
17 |
0 |
0.442 |
2 |
3 |
|
B |
32 |
10 |
18108 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
18086 |
314.9 |
-5.0 |
0.151 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
45 |
19 |
18058 |
◊ |
C |
x,y,z-1 |
1_554 |
46 |
18 |
18071 |
305.3 |
-0.9 |
0.670 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
31 |
12 |
18086 |
◊ |
C |
-y+1,x-y+1,z-1/3 |
2_664 |
31 |
13 |
18071 |
293.8 |
-5.1 |
0.138 |
2 |
0 |
0 |
0.000 |
6 |
|
D |
31 |
13 |
18058 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
29 |
11 |
18108 |
291.6 |
-5.0 |
0.133 |
2 |
0 |
0 |
0.000 |
Average: |
292.7 |
-5.1 |
0.136 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[GOL]B:504 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
18058 |
112.8 |
-1.5 |
0.388 |
0 |
0 |
0 |
0.010 |
6 |
8 |
|
[GOL]A:504 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
18071 |
111.3 |
-1.3 |
0.404 |
0 |
0 |
0 |
0.009 |
7 |
9 |
|
[GOL]C:504 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
18086 |
110.2 |
-0.7 |
0.493 |
1 |
0 |
0 |
0.008 |
8 |
10 |
|
[GOL]B:505 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
18108 |
109.5 |
-0.9 |
0.456 |
1 |
0 |
0 |
0.009 |
9 |
11 |
|
[PO4]A:503 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
18086 |
81.9 |
-5.7 |
0.422 |
2 |
0 |
0 |
0.045 |
10 |
12 |
|
[PO4]D:503 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
15 |
11 |
18058 |
80.2 |
-5.6 |
0.391 |
2 |
0 |
0 |
0.045 |
11 |
13 |
|
[PO4]B:503 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
12 |
18108 |
78.9 |
-5.6 |
0.425 |
2 |
0 |
0 |
0.045 |
12 |
14 |
|
[PO4]C:503 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
12 |
18071 |
78.8 |
-5.5 |
0.405 |
1 |
0 |
0 |
0.041 |
13 |
15 |
|
[GOL]C:504 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
18071 |
65.9 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[GOL]B:505 |
5 |
1 |
214 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
18058 |
64.1 |
0.4 |
0.651 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[GOL]A:504 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
18086 |
62.1 |
0.8 |
0.743 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[GOL]B:504 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
18108 |
59.7 |
1.0 |
0.779 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
[FE]B:502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
9 |
18108 |
51.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.121 |
20 |
|
[FE]D:502 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
9 |
18058 |
50.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.121 |
21 |
|
[FE]C:502 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
9 |
18071 |
49.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.121 |
22 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
18086 |
49.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
50.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.121 |
18 |
23 |
|
[FE]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
18108 |
48.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.135 |
24 |
|
[FE]D:501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
18058 |
48.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.135 |
25 |
|
[FE]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
18071 |
47.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.135 |
26 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
18086 |
47.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
48.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.135 |
19 |
27 |
|
[PO4]B:503 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
18058 |
39.9 |
-2.1 |
0.727 |
0 |
0 |
0 |
0.014 |
20 |
28 |
|
[PO4]D:503 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
18108 |
38.7 |
-2.1 |
0.709 |
0 |
0 |
0 |
0.015 |
21 |
29 |
|
[PO4]C:503 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
18086 |
37.4 |
-2.1 |
0.693 |
0 |
0 |
0 |
0.014 |
22 |
30 |
|
[PO4]A:503 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
18071 |
36.3 |
-1.8 |
0.678 |
1 |
0 |
0 |
0.015 |
23 |
31 |
|
[PO4]A:503 |
4 |
1 |
188 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.031 |
24 |
32 |
|
[PO4]C:503 |
4 |
1 |
187 |
f |
[FE]C:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
33 |
|
[PO4]B:503 |
4 |
1 |
187 |
f |
[FE]B:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.059 |
34 |
|
[PO4]C:503 |
4 |
1 |
187 |
f |
[FE]C:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
28.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.059 |
25 |
35 |
|
[PO4]A:503 |
4 |
1 |
188 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
36 |
|
[PO4]D:503 |
4 |
1 |
188 |
f |
[FE]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
28.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.030 |
26 |
37 |
|
[PO4]D:503 |
4 |
1 |
188 |
f |
[FE]D:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.029 |
27 |
38 |
|
[PO4]B:503 |
4 |
1 |
187 |
f |
[FE]B:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.028 |
28 |
39 |
|
[FE]B:502 |
1 |
1 |
137 |
f |
[FE]B:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.031 |
29 |
40 |
|
[FE]D:502 |
1 |
1 |
137 |
f |
[FE]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.031 |
30 |
41 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
31 |
42 |
|
[FE]C:502 |
1 |
1 |
137 |
f |
[FE]C:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.030 |
|