| ## |
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 |
74 |
24 |
12602 |
◊ |
C |
x,y,z |
1_555 |
68 |
22 |
12895 |
640.0 |
-2.6 |
0.369 |
7 |
9 |
0 |
0.083 |
2 |
|
B |
67 |
21 |
12606 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
12828 |
603.2 |
-2.5 |
0.374 |
10 |
9 |
0 |
0.083 |
| Average: |
621.6 |
-2.5 |
0.372 |
9 |
9 |
0 |
0.083 |
| 2 |
3 |
|
C |
59 |
16 |
12895 |
◊ |
B |
x,y,z |
1_555 |
57 |
15 |
12606 |
543.9 |
-5.3 |
0.177 |
6 |
2 |
0 |
0.088 |
4 |
|
A |
56 |
15 |
12828 |
◊ |
D |
x-1,y,z-1 |
1_454 |
57 |
15 |
12602 |
541.6 |
-4.7 |
0.218 |
6 |
2 |
0 |
0.088 |
| Average: |
542.8 |
-5.0 |
0.197 |
6 |
2 |
0 |
0.088 |
| 3 |
5 |
|
C |
22 |
9 |
12895 |
x |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
26 |
8 |
12895 |
205.9 |
-2.0 |
0.277 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
30 |
10 |
12828 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
22 |
9 |
12828 |
196.5 |
-1.8 |
0.311 |
0 |
0 |
0 |
0.000 |
| Average: |
201.2 |
-1.9 |
0.294 |
1 |
0 |
0 |
0.000 |
| 4 |
7 |
|
C |
25 |
5 |
12895 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
22 |
6 |
12828 |
192.5 |
-1.5 |
0.284 |
3 |
2 |
0 |
0.000 |
8 |
|
C |
22 |
6 |
12895 |
◊ |
A |
-x+1,y,-z |
2_655 |
25 |
5 |
12828 |
188.8 |
-1.5 |
0.284 |
3 |
2 |
0 |
0.000 |
| Average: |
190.7 |
-1.5 |
0.284 |
3 |
2 |
0 |
0.000 |
| 5 |
9 |
|
B |
23 |
8 |
12606 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
19 |
5 |
12602 |
178.5 |
-1.4 |
0.366 |
1 |
1 |
0 |
0.000 |
| 6 |
10 |
|
B |
16 |
8 |
12606 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
16 |
8 |
12602 |
140.9 |
2.5 |
0.816 |
4 |
6 |
0 |
0.000 |
| 7 |
11 |
|
[GOL]C:301 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
12895 |
110.6 |
-0.6 |
0.487 |
3 |
0 |
0 |
0.032 |
12 |
|
[GOL]A:301 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
12828 |
107.7 |
-0.5 |
0.481 |
2 |
0 |
0 |
0.032 |
13 |
|
[GOL]D:301 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
12602 |
106.7 |
-0.5 |
0.489 |
1 |
0 |
0 |
0.032 |
14 |
|
[GOL]B:301 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
12606 |
100.8 |
-0.2 |
0.492 |
2 |
0 |
0 |
0.032 |
| Average: |
106.4 |
-0.5 |
0.487 |
2 |
0 |
0 |
0.032 |
| 8 |
15 |
|
D |
8 |
2 |
12602 |
◊ |
D |
-x+2,y,-z+1 |
2_756 |
8 |
2 |
12602 |
101.4 |
2.4 |
0.883 |
2 |
4 |
0 |
0.000 |
| 9 |
16 |
|
[PO4]C:308 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
12895 |
101.1 |
-6.9 |
0.610 |
1 |
0 |
0 |
0.078 |
| 10 |
17 |
|
[PO4]A:308 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12828 |
100.6 |
-6.8 |
0.612 |
1 |
0 |
0 |
0.073 |
| 11 |
18 |
|
[PO4]C:307 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
12895 |
86.9 |
-4.9 |
0.812 |
2 |
0 |
0 |
0.061 |
| 12 |
19 |
|
[PO4]A:307 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12828 |
85.3 |
-4.7 |
0.815 |
2 |
0 |
0 |
0.056 |
| 13 |
20 |
|
[PO4]D:304 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
12602 |
84.3 |
-3.0 |
0.952 |
4 |
0 |
0 |
0.048 |
| 14 |
21 |
|
[PO4]D:307 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
12602 |
83.6 |
-4.7 |
0.823 |
2 |
0 |
0 |
0.056 |
| 15 |
22 |
|
[PO4]D:306 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
12602 |
83.5 |
-4.9 |
0.752 |
2 |
0 |
0 |
0.058 |
| 16 |
23 |
|
[PO4]B:305 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
12606 |
81.8 |
-4.5 |
0.780 |
1 |
0 |
0 |
0.053 |
| 17 |
24 |
|
[PO4]B:307 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12606 |
81.6 |
-4.4 |
0.832 |
2 |
0 |
0 |
0.056 |
| 18 |
25 |
|
[PO4]B:306 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12606 |
80.6 |
-4.3 |
0.745 |
2 |
0 |
0 |
0.055 |
| 19 |
26 |
|
[PO4]B:304 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
12606 |
80.5 |
-3.3 |
0.946 |
4 |
0 |
0 |
0.054 |
| 20 |
27 |
|
C |
9 |
3 |
12895 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
11 |
4 |
12602 |
80.4 |
-0.2 |
0.532 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
9 |
3 |
12606 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
12828 |
65.0 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
| Average: |
72.7 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[PO4]D:305 |
5 |
1 |
190 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
12602 |
80.3 |
-4.7 |
0.744 |
1 |
0 |
0 |
0.052 |
| 22 |
30 |
|
[PO4]D:303 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
12602 |
79.9 |
-3.0 |
0.932 |
4 |
0 |
0 |
0.048 |
| 23 |
31 |
|
[PO4]C:304 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12895 |
79.6 |
-3.3 |
0.884 |
2 |
0 |
0 |
0.044 |
| 24 |
32 |
|
[PO4]C:305 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12895 |
77.0 |
-4.3 |
0.769 |
2 |
0 |
0 |
0.055 |
| 25 |
33 |
|
[PO4]A:305 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12828 |
76.5 |
-4.2 |
0.778 |
2 |
0 |
0 |
0.051 |
| 26 |
34 |
|
[PO4]A:304 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12828 |
76.2 |
-2.8 |
0.894 |
3 |
0 |
0 |
0.041 |
| 27 |
35 |
|
[PO4]A:303 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12828 |
76.1 |
-3.1 |
0.901 |
4 |
0 |
0 |
0.049 |
| 28 |
36 |
|
[PO4]C:303 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12895 |
75.2 |
-3.0 |
0.902 |
3 |
0 |
0 |
0.046 |
| 29 |
37 |
|
[PO4]B:303 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12606 |
74.0 |
-2.8 |
0.931 |
2 |
0 |
0 |
0.039 |
| 30 |
38 |
|
[PO4]A:306 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12828 |
70.5 |
-3.3 |
0.836 |
1 |
0 |
0 |
0.038 |
| 31 |
39 |
|
[PO4]A:302 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12828 |
70.3 |
-3.6 |
0.798 |
3 |
0 |
0 |
0.049 |
| 32 |
40 |
|
[PO4]D:302 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
12602 |
70.0 |
-3.5 |
0.800 |
4 |
0 |
0 |
0.053 |
| 33 |
41 |
|
[PO4]B:302 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12606 |
69.6 |
-3.5 |
0.793 |
3 |
0 |
0 |
0.051 |
| 34 |
42 |
|
[PO4]C:302 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12895 |
69.2 |
-3.6 |
0.798 |
3 |
0 |
0 |
0.052 |
| 35 |
43 |
|
[PO4]C:306 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12895 |
68.3 |
-3.3 |
0.851 |
1 |
0 |
0 |
0.039 |
| 36 |
44 |
|
B |
5 |
2 |
12606 |
◊ |
[PO4]D:305 |
-x+3/2,y-1/2,-z+1 |
4_646 |
4 |
1 |
190 |
55.7 |
-2.6 |
0.888 |
2 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[PO4]B:305 |
5 |
1 |
190 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
2 |
12602 |
54.8 |
-2.6 |
0.882 |
2 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[PO4]C:305 |
4 |
1 |
189 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
7 |
2 |
12895 |
47.7 |
-2.8 |
0.649 |
1 |
0 |
0 |
0.000 |
| 39 |
47 |
|
A |
7 |
2 |
12828 |
◊ |
[PO4]A:305 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
189 |
44.3 |
-2.6 |
0.705 |
1 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[PO4]C:303 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
12602 |
43.9 |
-1.5 |
0.932 |
2 |
0 |
0 |
0.024 |
| 41 |
49 |
|
[PO4]A:303 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12606 |
43.2 |
-1.4 |
0.932 |
3 |
0 |
0 |
0.028 |
| 42 |
50 |
|
[PO4]B:303 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12828 |
40.6 |
-0.5 |
0.945 |
1 |
0 |
0 |
0.010 |
| 43 |
51 |
|
B |
3 |
2 |
12606 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
3 |
2 |
12606 |
40.4 |
0.5 |
0.776 |
0 |
0 |
0 |
0.000 |
| 44 |
52 |
|
[PO4]D:303 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12895 |
40.0 |
-0.7 |
0.945 |
1 |
0 |
0 |
0.011 |
| 45 |
53 |
|
[PO4]C:302 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12606 |
37.1 |
-0.7 |
0.909 |
2 |
0 |
0 |
0.017 |
| 46 |
54 |
|
[PO4]D:304 |
4 |
1 |
189 |
f |
[PO4]D:303 |
x,y,z |
1_555 |
4 |
1 |
189 |
36.6 |
-3.2 |
0.973 |
0 |
0 |
0 |
0.032 |
| 47 |
55 |
|
A |
3 |
2 |
12828 |
◊ |
[PO4]D:302 |
x-1,y,z-1 |
1_454 |
3 |
1 |
188 |
36.3 |
-0.7 |
0.912 |
1 |
0 |
0 |
0.001 |
| 48 |
56 |
|
[PO4]B:304 |
4 |
1 |
189 |
f |
[PO4]B:303 |
x,y,z |
1_555 |
4 |
1 |
189 |
36.2 |
-3.2 |
0.973 |
0 |
0 |
0 |
0.034 |
| 49 |
57 |
|
[PO4]A:302 |
3 |
1 |
189 |
◊ |
D |
x-1,y,z-1 |
1_454 |
3 |
2 |
12602 |
35.0 |
-0.6 |
0.962 |
1 |
0 |
0 |
0.001 |
| 50 |
58 |
|
[GOL]B:301 |
3 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12895 |
34.9 |
-0.2 |
0.454 |
0 |
0 |
0 |
0.000 |
59 |
|
[GOL]A:301 |
2 |
1 |
218 |
◊ |
D |
x-1,y,z-1 |
1_454 |
4 |
2 |
12602 |
19.8 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
60 |
|
A |
3 |
2 |
12828 |
◊ |
[GOL]D:301 |
x-1,y,z-1 |
1_454 |
2 |
1 |
219 |
19.1 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
61 |
|
[GOL]C:301 |
2 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12606 |
18.3 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
| 51 |
62 |
|
A |
7 |
3 |
12828 |
◊ |
[PO4]A:306 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
188 |
34.7 |
-2.3 |
0.610 |
0 |
0 |
0 |
0.000 |
| 52 |
63 |
|
[GOL]A:301 |
5 |
1 |
218 |
◊ |
[GOL]D:301 |
x-1,y,z-1 |
1_454 |
5 |
1 |
219 |
34.7 |
-0.0 |
0.634 |
2 |
0 |
0 |
0.011 |
64 |
|
[GOL]C:301 |
5 |
1 |
217 |
◊ |
[GOL]B:301 |
x,y,z |
1_555 |
4 |
1 |
219 |
33.8 |
-0.1 |
0.556 |
2 |
0 |
0 |
0.011 |
| Average: |
34.3 |
-0.1 |
0.595 |
2 |
0 |
0 |
0.011 |
| 53 |
65 |
|
[PO4]B:302 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12895 |
34.0 |
-0.6 |
0.958 |
2 |
0 |
0 |
0.016 |
| 54 |
66 |
|
[PO4]A:302 |
4 |
1 |
189 |
f |
[GOL]A:301 |
x,y,z |
1_555 |
4 |
1 |
218 |
31.7 |
-1.4 |
0.810 |
2 |
0 |
0 |
0.023 |
| 55 |
67 |
|
[PO4]B:302 |
4 |
1 |
188 |
f |
[GOL]B:301 |
x,y,z |
1_555 |
3 |
1 |
219 |
31.6 |
-1.4 |
0.854 |
1 |
0 |
0 |
0.019 |
| 56 |
68 |
|
[PO4]C:304 |
4 |
1 |
189 |
f |
[PO4]C:303 |
x,y,z |
1_555 |
3 |
1 |
187 |
30.9 |
-2.9 |
0.934 |
0 |
0 |
0 |
0.030 |
| 57 |
69 |
|
[PO4]D:302 |
4 |
1 |
188 |
f |
[GOL]D:301 |
x,y,z |
1_555 |
4 |
1 |
219 |
30.4 |
-1.2 |
0.818 |
1 |
0 |
0 |
0.017 |
| 58 |
70 |
|
[PO4]A:304 |
4 |
1 |
188 |
f |
[PO4]A:303 |
x,y,z |
1_555 |
3 |
1 |
188 |
30.1 |
-2.8 |
0.934 |
0 |
0 |
0 |
0.028 |
| 59 |
71 |
|
[PO4]C:302 |
4 |
1 |
188 |
f |
[GOL]C:301 |
x,y,z |
1_555 |
4 |
1 |
217 |
30.0 |
-1.3 |
0.821 |
1 |
0 |
0 |
0.019 |
| 60 |
72 |
|
[PO4]C:306 |
3 |
1 |
189 |
f |
[PO4]C:305 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.3 |
-2.7 |
0.982 |
0 |
0 |
0 |
0.028 |
| 61 |
73 |
|
[PO4]C:306 |
3 |
1 |
189 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
4 |
12895 |
29.2 |
-2.0 |
0.565 |
0 |
0 |
0 |
0.000 |
| 62 |
74 |
|
[PO4]A:306 |
4 |
1 |
188 |
f |
[PO4]A:305 |
x,y,z |
1_555 |
3 |
1 |
189 |
29.0 |
-2.7 |
0.982 |
0 |
0 |
0 |
0.027 |
| 63 |
75 |
|
[PO4]B:304 |
3 |
1 |
189 |
◊ |
[PO4]A:304 |
x,y,z |
1_555 |
3 |
1 |
188 |
25.8 |
-2.4 |
0.992 |
0 |
0 |
0 |
0.024 |
| 64 |
76 |
|
[PO4]B:303 |
4 |
1 |
189 |
◊ |
[PO4]A:304 |
x,y,z |
1_555 |
3 |
1 |
188 |
25.8 |
-2.4 |
0.934 |
0 |
0 |
0 |
0.025 |
| 65 |
77 |
|
[PO4]D:304 |
2 |
1 |
189 |
◊ |
[PO4]C:304 |
x,y,z |
1_555 |
3 |
1 |
189 |
24.0 |
-2.5 |
0.976 |
0 |
0 |
0 |
0.025 |
| 66 |
78 |
|
[PO4]D:304 |
3 |
1 |
189 |
◊ |
[PO4]C:303 |
x,y,z |
1_555 |
4 |
1 |
187 |
21.1 |
-1.9 |
0.995 |
0 |
0 |
0 |
0.019 |
| 67 |
79 |
|
[PO4]B:304 |
3 |
1 |
189 |
◊ |
[PO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
188 |
21.0 |
-2.0 |
0.995 |
0 |
0 |
0 |
0.020 |
| 68 |
80 |
|
[PO4]D:303 |
4 |
1 |
189 |
◊ |
[PO4]C:304 |
x,y,z |
1_555 |
3 |
1 |
189 |
20.7 |
-2.0 |
0.995 |
0 |
0 |
0 |
0.020 |
| 69 |
81 |
|
[PO4]A:308 |
3 |
1 |
189 |
◊ |
[PO4]A:305 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
189 |
20.2 |
-1.9 |
0.992 |
0 |
0 |
0 |
0.000 |
| 70 |
82 |
|
[PO4]A:308 |
1 |
1 |
189 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
12828 |
18.5 |
-1.3 |
0.601 |
0 |
0 |
0 |
0.000 |
| 71 |
83 |
|
[PO4]A:302 |
3 |
1 |
189 |
◊ |
[GOL]D:301 |
x-1,y,z-1 |
1_454 |
2 |
1 |
219 |
17.8 |
-0.6 |
0.863 |
0 |
0 |
0 |
0.000 |
| 72 |
84 |
|
[PO4]C:305 |
3 |
1 |
189 |
◊ |
[PO4]C:308 |
-x+3/2,y-1/2,-z+1 |
4_646 |
4 |
1 |
188 |
17.1 |
-1.6 |
0.995 |
0 |
0 |
0 |
0.000 |
| 73 |
85 |
|
[PO4]A:304 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12606 |
16.5 |
-0.4 |
0.964 |
1 |
0 |
0 |
0.008 |
| 74 |
86 |
|
[PO4]C:304 |
3 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12602 |
16.5 |
-0.4 |
0.966 |
1 |
0 |
0 |
0.009 |
| 75 |
87 |
|
C |
5 |
2 |
12895 |
◊ |
[PO4]C:308 |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
188 |
16.0 |
-1.0 |
0.628 |
0 |
0 |
0 |
0.000 |
| 76 |
88 |
|
[PO4]C:302 |
4 |
1 |
188 |
◊ |
[GOL]B:301 |
x,y,z |
1_555 |
3 |
1 |
219 |
15.8 |
-0.5 |
0.865 |
0 |
0 |
0 |
0.006 |
| 77 |
89 |
|
[PO4]B:302 |
3 |
1 |
188 |
◊ |
[GOL]C:301 |
x,y,z |
1_555 |
2 |
1 |
217 |
14.8 |
-0.5 |
0.863 |
0 |
0 |
0 |
0.006 |
| 78 |
90 |
|
[GOL]A:301 |
2 |
1 |
218 |
◊ |
[PO4]D:302 |
x-1,y,z-1 |
1_454 |
3 |
1 |
188 |
14.1 |
-0.5 |
0.863 |
0 |
0 |
0 |
0.000 |
| 79 |
91 |
|
[PO4]B:305 |
3 |
1 |
190 |
◊ |
[PO4]D:305 |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
1 |
190 |
13.4 |
-1.2 |
0.992 |
0 |
0 |
0 |
0.000 |
| 80 |
92 |
|
[PO4]A:302 |
1 |
1 |
189 |
◊ |
[PO4]D:302 |
x-1,y,z-1 |
1_454 |
1 |
1 |
188 |
8.9 |
-0.9 |
0.800 |
0 |
0 |
0 |
0.000 |
| 81 |
93 |
|
[PO4]C:302 |
1 |
1 |
188 |
◊ |
[PO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
188 |
8.5 |
-0.9 |
0.800 |
0 |
0 |
0 |
0.010 |
| 82 |
94 |
|
[PO4]B:303 |
2 |
1 |
189 |
◊ |
[PO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
188 |
2.4 |
-0.2 |
0.876 |
0 |
0 |
0 |
0.002 |
| 83 |
95 |
|
[PO4]D:303 |
1 |
1 |
189 |
◊ |
[PO4]C:303 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.2 |
-0.2 |
0.800 |
0 |
0 |
0 |
0.002 |
| 84 |
96 |
|
[PO4]B:304 |
1 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12828 |
0.1 |
-0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
|