| ## |
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 |
55 |
16 |
8596 |
◊ |
C |
x-1,y,z |
1_455 |
58 |
16 |
8604 |
480.5 |
0.6 |
0.507 |
5 |
0 |
0 |
0.020 |
2 |
|
D |
56 |
16 |
8584 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
8587 |
454.2 |
-0.1 |
0.459 |
6 |
0 |
0 |
0.020 |
| Average: |
467.4 |
0.3 |
0.483 |
6 |
0 |
0 |
0.020 |
| 2 |
3 |
|
C |
45 |
14 |
8604 |
◊ |
B |
x,y-1,z |
1_545 |
45 |
12 |
8596 |
411.3 |
1.4 |
0.577 |
8 |
0 |
0 |
0.000 |
4 |
|
D |
43 |
11 |
8584 |
◊ |
A |
x,y-1,z |
1_545 |
45 |
12 |
8587 |
401.6 |
0.4 |
0.504 |
6 |
0 |
0 |
0.000 |
| Average: |
406.4 |
0.9 |
0.540 |
7 |
0 |
0 |
0.000 |
| 3 |
5 |
|
D |
44 |
15 |
8584 |
◊ |
C |
x,y,z-1 |
1_554 |
45 |
16 |
8604 |
381.3 |
-1.4 |
0.353 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
44 |
18 |
8587 |
◊ |
B |
x,y,z-1 |
1_554 |
43 |
18 |
8596 |
371.3 |
-1.2 |
0.374 |
2 |
0 |
0 |
0.000 |
| Average: |
376.3 |
-1.3 |
0.364 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
31 |
9 |
8596 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
9 |
8584 |
317.6 |
4.9 |
0.863 |
7 |
6 |
0 |
0.000 |
| 5 |
8 |
|
A |
13 |
6 |
8587 |
x |
A |
x-1,y,z |
1_455 |
17 |
9 |
8587 |
112.5 |
2.5 |
0.810 |
2 |
1 |
0 |
0.000 |
9 |
|
C |
12 |
5 |
8604 |
x |
C |
x-1,y,z |
1_455 |
16 |
8 |
8604 |
112.2 |
2.4 |
0.811 |
2 |
1 |
0 |
0.000 |
10 |
|
B |
13 |
7 |
8596 |
x |
B |
x-1,y,z |
1_455 |
16 |
7 |
8596 |
101.8 |
2.5 |
0.819 |
2 |
1 |
0 |
0.000 |
11 |
|
D |
12 |
7 |
8584 |
x |
D |
x-1,y,z |
1_455 |
9 |
4 |
8584 |
91.5 |
1.9 |
0.786 |
2 |
1 |
0 |
0.000 |
| Average: |
104.5 |
2.3 |
0.807 |
2 |
1 |
0 |
0.000 |
| 6 |
12 |
|
C |
13 |
5 |
8604 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
8587 |
108.8 |
0.7 |
0.621 |
1 |
0 |
0 |
0.000 |
13 |
|
C |
2 |
2 |
8604 |
◊ |
A |
x-1,y-1,z |
1_445 |
7 |
4 |
8587 |
38.8 |
0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
| Average: |
73.8 |
0.4 |
0.604 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
[PO4]D:184 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
8587 |
100.4 |
-6.5 |
0.630 |
3 |
0 |
0 |
0.058 |
| 8 |
15 |
|
[PO4]B:182 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
8596 |
98.8 |
-6.0 |
0.638 |
2 |
0 |
0 |
0.010 |
| 9 |
16 |
|
[PO4]D:183 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
8584 |
97.3 |
-5.3 |
0.808 |
5 |
0 |
0 |
0.056 |
| 10 |
17 |
|
[PO4]D:182 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
8584 |
96.4 |
-5.9 |
0.608 |
2 |
0 |
0 |
0.051 |
| 11 |
18 |
|
[PO4]C:181 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
8604 |
94.8 |
-6.2 |
0.625 |
3 |
0 |
0 |
0.012 |
| 12 |
19 |
|
[PO4]A:181 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
8587 |
93.4 |
-4.8 |
0.830 |
1 |
0 |
0 |
0.039 |
| 13 |
20 |
|
[PO4]B:183 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8596 |
92.9 |
-5.1 |
0.799 |
4 |
0 |
0 |
0.010 |
| 14 |
21 |
|
[PO4]A:183 |
5 |
1 |
189 |
f |
A |
x-1,y,z |
1_455 |
15 |
5 |
8587 |
92.8 |
-5.1 |
0.785 |
4 |
0 |
0 |
0.051 |
| 15 |
22 |
|
[PO4]D:181 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
8584 |
92.1 |
-5.6 |
0.785 |
3 |
0 |
0 |
0.052 |
| 16 |
23 |
|
[PO4]C:183 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
8604 |
90.7 |
-5.0 |
0.807 |
3 |
0 |
0 |
0.010 |
| 17 |
24 |
|
[PO4]B:181 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8596 |
88.0 |
-5.3 |
0.764 |
2 |
0 |
0 |
0.009 |
| 18 |
25 |
|
D |
10 |
3 |
8584 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
8604 |
76.9 |
1.0 |
0.675 |
1 |
0 |
0 |
0.000 |
26 |
|
B |
10 |
3 |
8596 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
1 |
8587 |
68.3 |
1.1 |
0.712 |
1 |
0 |
0 |
0.000 |
| Average: |
72.6 |
1.0 |
0.694 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[PO4]A:182 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8587 |
76.3 |
-4.5 |
0.723 |
2 |
0 |
0 |
0.040 |
| 20 |
28 |
|
[PO4]C:182 |
5 |
1 |
188 |
f |
C |
x-1,y,z |
1_455 |
13 |
5 |
8604 |
75.9 |
-4.4 |
0.729 |
3 |
0 |
0 |
0.009 |
| 21 |
29 |
|
[PO4]B:184 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8596 |
75.3 |
-4.5 |
0.726 |
2 |
0 |
0 |
0.008 |
| 22 |
30 |
|
[PO4]B:184 |
5 |
1 |
188 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
8596 |
69.5 |
-2.4 |
0.917 |
2 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[PO4]C:182 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8604 |
69.2 |
-2.9 |
0.876 |
3 |
0 |
0 |
0.000 |
| 24 |
32 |
|
A |
8 |
3 |
8587 |
◊ |
[PO4]A:182 |
x-1,y,z |
1_455 |
5 |
1 |
187 |
68.6 |
-2.4 |
0.906 |
3 |
0 |
0 |
0.000 |
| 25 |
33 |
|
A |
7 |
2 |
8587 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
8584 |
67.7 |
-0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
7 |
2 |
8604 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8596 |
61.6 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| Average: |
64.7 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[PO4]D:184 |
4 |
1 |
188 |
cf |
D |
x,y,z |
1_555 |
4 |
1 |
8584 |
53.1 |
-2.0 |
0.893 |
0 |
0 |
0 |
0.015 |
| 27 |
36 |
|
C |
9 |
2 |
8604 |
◊ |
[PO4]C:183 |
x-1,y,z |
1_455 |
4 |
1 |
188 |
51.7 |
-2.1 |
0.837 |
1 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[PO4]B:183 |
4 |
1 |
189 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
8596 |
50.6 |
-2.1 |
0.838 |
1 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[PO4]A:183 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
8587 |
49.8 |
-2.1 |
0.833 |
1 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[PO4]D:183 |
4 |
1 |
187 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
8584 |
47.0 |
-1.6 |
0.887 |
1 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[ZN]B:180 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8596 |
41.6 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.384 |
41 |
|
[ZN]A:180 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8587 |
39.3 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.384 |
42 |
|
[ZN]C:180 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
8604 |
38.4 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.384 |
43 |
|
[ZN]D:180 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
8584 |
38.0 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.384 |
| Average: |
39.3 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.384 |
| 32 |
44 |
|
D |
5 |
2 |
8584 |
◊ |
C |
x-1,y,z-1 |
1_454 |
5 |
2 |
8604 |
38.7 |
1.3 |
0.816 |
1 |
0 |
0 |
0.000 |
45 |
|
B |
5 |
3 |
8596 |
◊ |
A |
x-1,y,z+1 |
1_456 |
6 |
2 |
8587 |
28.5 |
1.3 |
0.805 |
0 |
0 |
0 |
0.000 |
| Average: |
33.6 |
1.3 |
0.810 |
1 |
0 |
0 |
0.000 |
| 33 |
46 |
|
[PO4]D:181 |
4 |
1 |
188 |
f |
[ZN]D:180 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.112 |
| 34 |
47 |
|
[PO4]C:181 |
4 |
1 |
189 |
f |
[ZN]C:180 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| 35 |
48 |
|
[PO4]D:182 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8587 |
30.7 |
-1.2 |
0.892 |
1 |
0 |
0 |
0.013 |
| 36 |
49 |
|
[PO4]B:182 |
3 |
1 |
187 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
8604 |
30.4 |
-1.1 |
0.895 |
1 |
0 |
0 |
0.000 |
| 37 |
50 |
|
[PO4]A:181 |
4 |
1 |
189 |
f |
[ZN]A:180 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.101 |
| 38 |
51 |
|
[PO4]B:181 |
3 |
1 |
187 |
f |
[ZN]B:180 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 39 |
52 |
|
[PO4]D:181 |
3 |
1 |
188 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
8604 |
12.7 |
-0.8 |
0.416 |
0 |
0 |
0 |
0.000 |
| 40 |
53 |
|
[PO4]C:182 |
2 |
1 |
188 |
f |
[PO4]C:183 |
x-1,y,z |
1_455 |
1 |
1 |
188 |
12.1 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.002 |
| 41 |
54 |
|
[PO4]A:183 |
1 |
1 |
189 |
f |
[PO4]A:182 |
x-1,y,z |
1_455 |
2 |
1 |
187 |
12.0 |
-1.3 |
0.876 |
0 |
0 |
0 |
0.009 |
| 42 |
55 |
|
[PO4]B:184 |
1 |
1 |
188 |
f |
[PO4]B:183 |
x,y,z |
1_555 |
1 |
1 |
189 |
11.2 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.002 |
| 43 |
56 |
|
[PO4]A:181 |
1 |
1 |
189 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
8596 |
6.3 |
-0.4 |
0.495 |
0 |
0 |
0 |
0.000 |
| 44 |
57 |
|
D |
1 |
1 |
8584 |
◊ |
[PO4]C:181 |
x,y,z-1 |
1_554 |
1 |
1 |
189 |
3.9 |
-0.3 |
0.549 |
0 |
0 |
0 |
0.000 |
|