## |
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 |
216 |
62 |
9552 |
◊ |
C |
x,y,z |
1_555 |
181 |
44 |
16811 |
2063.3 |
-44.5 |
0.000 |
11 |
6 |
0 |
0.305 |
2 |
|
B |
201 |
57 |
9383 |
◊ |
A |
x,y,z |
1_555 |
165 |
41 |
16898 |
1883.3 |
-38.9 |
0.000 |
15 |
6 |
0 |
0.305 |
Average: |
1973.3 |
-41.7 |
0.000 |
13 |
6 |
0 |
0.305 |
2 |
3 |
|
A |
150 |
45 |
16898 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
151 |
47 |
16811 |
1377.7 |
-13.3 |
0.316 |
6 |
1 |
0 |
0.112 |
3 |
4 |
|
E |
66 |
13 |
1746 |
◊ |
A |
x,y,z |
1_555 |
82 |
25 |
16898 |
720.7 |
-6.8 |
0.754 |
13 |
0 |
0 |
0.166 |
4 |
5 |
|
E |
43 |
11 |
1746 |
◊ |
C |
x,y,z |
1_555 |
52 |
16 |
16811 |
425.7 |
-4.0 |
0.744 |
6 |
2 |
0 |
0.010 |
5 |
6 |
|
A |
37 |
11 |
16898 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
13 |
9552 |
299.8 |
0.3 |
0.714 |
4 |
4 |
0 |
0.000 |
6 |
7 |
|
D |
35 |
10 |
9552 |
◊ |
B |
x,y-1,z |
1_545 |
32 |
11 |
9383 |
278.2 |
0.8 |
0.761 |
7 |
4 |
0 |
0.000 |
7 |
8 |
|
C |
27 |
12 |
16811 |
◊ |
A |
x,y,z |
1_555 |
27 |
12 |
16898 |
258.7 |
-0.4 |
0.655 |
3 |
2 |
0 |
0.000 |
8 |
9 |
|
A |
29 |
13 |
16898 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
27 |
8 |
9552 |
234.8 |
0.9 |
0.779 |
2 |
0 |
0 |
0.003 |
10 |
|
B |
24 |
7 |
9383 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
27 |
11 |
16811 |
216.1 |
-0.2 |
0.690 |
2 |
0 |
0 |
0.003 |
Average: |
225.5 |
0.3 |
0.735 |
2 |
0 |
0 |
0.003 |
9 |
11 |
|
C |
27 |
6 |
16811 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
16898 |
227.0 |
0.0 |
0.700 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
A |
24 |
8 |
16898 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
20 |
7 |
9383 |
172.4 |
0.6 |
0.735 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
D |
24 |
6 |
9552 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
4 |
16898 |
155.4 |
-2.6 |
0.251 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
15 |
8 |
16811 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
5 |
16898 |
127.9 |
2.4 |
0.906 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
C |
11 |
3 |
16811 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
13 |
3 |
9383 |
114.0 |
-0.5 |
0.494 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[PO4]C:514 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
20 |
12 |
16811 |
95.8 |
-5.6 |
0.749 |
5 |
0 |
0 |
0.109 |
17 |
|
[PO4]A:511 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
16898 |
95.4 |
-5.7 |
0.732 |
5 |
0 |
0 |
0.109 |
Average: |
95.6 |
-5.7 |
0.740 |
5 |
0 |
0 |
0.109 |
15 |
18 |
|
C |
14 |
6 |
16811 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
3 |
9383 |
79.2 |
2.0 |
0.896 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[FE]C:513 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
16811 |
55.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.133 |
20 |
|
[FE]A:510 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
16898 |
54.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
54.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.133 |
17 |
21 |
|
[NH2]E:17 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
6 |
2 |
1746 |
54.5 |
0.6 |
0.828 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
9383 |
47.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.077 |
23 |
|
[CA]D:505 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
9552 |
46.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
46.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.077 |
19 |
24 |
|
[CA]D:508 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
9552 |
45.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.079 |
25 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
9383 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
44.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.079 |
20 |
26 |
|
[CA]D:507 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
9552 |
45.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.079 |
27 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
9383 |
43.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
44.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.079 |
21 |
28 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9383 |
44.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.078 |
29 |
|
[CA]D:506 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9552 |
44.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
44.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.078 |
22 |
30 |
|
[NH2]E:17 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
16898 |
33.4 |
0.5 |
0.822 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[ZN]C:512 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
16811 |
31.7 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.324 |
32 |
|
[ZN]A:509 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16898 |
31.2 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.324 |
Average: |
31.4 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.324 |
24 |
33 |
|
[PO4]C:514 |
4 |
1 |
187 |
f |
[FE]C:513 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.063 |
34 |
|
[PO4]A:511 |
4 |
1 |
186 |
f |
[FE]A:510 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
31.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.063 |
25 |
35 |
|
[PO4]C:514 |
4 |
1 |
187 |
f |
[ZN]C:512 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.131 |
36 |
|
[PO4]A:511 |
3 |
1 |
186 |
f |
[ZN]A:509 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
21.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.131 |
26 |
37 |
|
[FE]A:510 |
1 |
1 |
137 |
f |
[ZN]A:509 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.122 |
27 |
38 |
|
[FE]C:513 |
1 |
1 |
137 |
f |
[ZN]C:512 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.063 |
28 |
39 |
|
E |
3 |
1 |
1746 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
9383 |
13.5 |
-0.2 |
0.390 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
D |
1 |
1 |
9552 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
9552 |
3.8 |
0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|