## |
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 |
98 |
31 |
18833 |
◊ |
A |
x,y,z |
1_555 |
110 |
35 |
18531 |
962.7 |
-9.1 |
0.234 |
3 |
2 |
0 |
0.050 |
2 |
|
C |
109 |
35 |
18558 |
◊ |
B |
x,y,z |
1_555 |
101 |
31 |
18896 |
956.4 |
-10.7 |
0.159 |
4 |
2 |
0 |
0.050 |
Average: |
959.6 |
-9.9 |
0.196 |
4 |
2 |
0 |
0.050 |
2 |
3 |
|
B |
75 |
23 |
18896 |
◊ |
A |
x,y,z |
1_555 |
70 |
24 |
18531 |
672.6 |
-14.4 |
0.010 |
2 |
0 |
0 |
0.066 |
4 |
|
D |
77 |
24 |
18833 |
◊ |
C |
x,y,z |
1_555 |
73 |
25 |
18558 |
665.1 |
-14.4 |
0.014 |
2 |
0 |
0 |
0.066 |
Average: |
668.8 |
-14.4 |
0.012 |
2 |
0 |
0 |
0.066 |
3 |
5 |
|
C |
51 |
18 |
18558 |
◊ |
A |
x,y-1,z |
1_545 |
51 |
18 |
18531 |
528.3 |
-0.5 |
0.724 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
40 |
15 |
18833 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
38 |
15 |
18896 |
399.3 |
-6.2 |
0.122 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
41 |
12 |
18833 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
40 |
14 |
18531 |
351.9 |
-5.7 |
0.136 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
38 |
14 |
18558 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
12 |
18896 |
338.9 |
-5.4 |
0.155 |
2 |
0 |
0 |
0.000 |
Average: |
345.4 |
-5.5 |
0.146 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
26 |
9 |
18833 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
18896 |
198.4 |
1.0 |
0.788 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
15 |
5 |
18558 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
5 |
18896 |
167.5 |
0.4 |
0.714 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
16 |
5 |
18833 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
5 |
18531 |
166.0 |
0.6 |
0.753 |
3 |
0 |
0 |
0.000 |
Average: |
166.8 |
0.5 |
0.734 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[NAG]B:498 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
18896 |
126.8 |
2.8 |
0.323 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]D:498 |
11 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
16 |
7 |
18833 |
125.8 |
2.7 |
0.325 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]C:498 |
11 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
18558 |
114.1 |
3.0 |
0.328 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:498 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
16 |
7 |
18531 |
113.6 |
3.2 |
0.370 |
0 |
0 |
0 |
0.000 |
Average: |
120.0 |
2.9 |
0.336 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[PO4]B:503 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
18896 |
112.8 |
-6.1 |
0.796 |
2 |
0 |
0 |
0.030 |
10 |
17 |
|
[PO4]C:503 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
18558 |
111.9 |
-5.9 |
0.769 |
1 |
0 |
0 |
0.025 |
11 |
18 |
|
[PO4]D:502 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
18833 |
111.7 |
-6.3 |
0.791 |
1 |
0 |
0 |
0.026 |
12 |
19 |
|
[PO4]D:499 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
18833 |
110.4 |
-7.3 |
0.673 |
5 |
0 |
0 |
0.036 |
13 |
20 |
|
[PO4]A:504 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
18531 |
110.3 |
-6.3 |
0.769 |
1 |
0 |
0 |
0.029 |
14 |
21 |
|
[PO4]A:499 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18531 |
107.6 |
-7.2 |
0.696 |
5 |
0 |
0 |
0.041 |
15 |
22 |
|
[PO4]C:499 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
18558 |
103.8 |
-6.8 |
0.698 |
5 |
0 |
0 |
0.035 |
16 |
23 |
|
[PO4]B:499 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18896 |
103.5 |
-6.5 |
0.754 |
5 |
0 |
0 |
0.037 |
17 |
24 |
|
[PO4]C:504 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18558 |
98.1 |
-6.1 |
0.825 |
5 |
0 |
0 |
0.032 |
18 |
25 |
|
[PO4]C:502 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
18558 |
96.2 |
-5.1 |
0.888 |
6 |
0 |
0 |
0.030 |
19 |
26 |
|
[PO4]A:501 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
18531 |
95.9 |
-5.3 |
0.882 |
6 |
0 |
0 |
0.034 |
20 |
27 |
|
[PO4]A:515 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18531 |
95.4 |
-9.1 |
0.637 |
5 |
0 |
0 |
0.049 |
21 |
28 |
|
[PO4]D:514 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
18833 |
95.4 |
-8.9 |
0.697 |
5 |
0 |
0 |
0.042 |
22 |
29 |
|
[PO4]C:517 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
18558 |
94.8 |
-7.4 |
0.844 |
2 |
0 |
0 |
0.032 |
23 |
30 |
|
[PO4]B:504 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
18896 |
94.7 |
-5.5 |
0.834 |
5 |
0 |
0 |
0.034 |
24 |
31 |
|
[PO4]A:518 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
18531 |
94.2 |
-7.4 |
0.844 |
1 |
0 |
0 |
0.034 |
25 |
32 |
|
[PO4]D:501 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
18833 |
93.9 |
-5.1 |
0.893 |
5 |
0 |
0 |
0.028 |
26 |
33 |
|
[PO4]D:507 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
18833 |
93.8 |
-6.2 |
0.741 |
4 |
0 |
0 |
0.030 |
27 |
34 |
|
[PO4]B:501 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18896 |
93.3 |
-5.2 |
0.874 |
6 |
0 |
0 |
0.034 |
28 |
35 |
|
[PO4]A:517 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18531 |
93.1 |
-6.0 |
0.794 |
4 |
0 |
0 |
0.033 |
29 |
36 |
|
[PO4]C:518 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
18558 |
92.6 |
-9.0 |
0.586 |
4 |
0 |
0 |
0.042 |
30 |
37 |
|
[PO4]D:512 |
5 |
1 |
190 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
18833 |
89.9 |
-6.0 |
0.692 |
3 |
0 |
0 |
0.028 |
31 |
38 |
|
[PO4]B:507 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18896 |
89.9 |
-6.5 |
0.725 |
4 |
0 |
0 |
0.036 |
32 |
39 |
|
[PO4]D:511 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
18833 |
89.6 |
-4.1 |
0.918 |
4 |
0 |
0 |
0.022 |
33 |
40 |
|
[PO4]C:501 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
18558 |
89.4 |
-5.4 |
0.757 |
3 |
0 |
0 |
0.026 |
34 |
41 |
|
[PO4]B:508 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18896 |
88.9 |
-4.3 |
0.915 |
2 |
0 |
0 |
0.022 |
35 |
42 |
|
[PO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18896 |
88.2 |
-5.5 |
0.736 |
2 |
0 |
0 |
0.028 |
36 |
43 |
|
[PO4]B:511 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18896 |
88.1 |
-5.8 |
0.655 |
2 |
0 |
0 |
0.029 |
37 |
44 |
|
[PO4]D:510 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
18833 |
87.9 |
-6.0 |
0.659 |
1 |
0 |
0 |
0.024 |
38 |
45 |
|
[PO4]D:513 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
18833 |
87.8 |
-5.1 |
0.788 |
1 |
0 |
0 |
0.021 |
39 |
46 |
|
[PO4]C:520 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
18558 |
87.8 |
-7.8 |
0.651 |
3 |
0 |
0 |
0.035 |
40 |
47 |
|
[PO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
18531 |
87.1 |
-5.1 |
0.784 |
3 |
0 |
0 |
0.028 |
41 |
48 |
|
[PO4]D:503 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
18833 |
86.1 |
-5.5 |
0.708 |
2 |
0 |
0 |
0.024 |
42 |
49 |
|
[PO4]C:516 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18558 |
85.9 |
-5.7 |
0.502 |
0 |
0 |
0 |
0.022 |
43 |
50 |
|
[PO4]B:515 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
18896 |
85.6 |
-4.9 |
0.772 |
1 |
0 |
0 |
0.023 |
44 |
51 |
|
[PO4]A:511 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18531 |
84.9 |
-3.8 |
0.913 |
2 |
0 |
0 |
0.020 |
45 |
52 |
|
[PO4]C:519 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
18558 |
84.4 |
-5.6 |
0.595 |
1 |
0 |
0 |
0.024 |
46 |
53 |
|
[PO4]A:506 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18531 |
83.9 |
-5.6 |
0.574 |
1 |
0 |
0 |
0.026 |
47 |
54 |
|
[PO4]C:521 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
18558 |
83.5 |
-4.0 |
0.913 |
1 |
0 |
0 |
0.017 |
48 |
55 |
|
[PO4]A:505 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18531 |
83.3 |
-5.4 |
0.505 |
0 |
0 |
0 |
0.023 |
49 |
56 |
|
[PO4]B:506 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
18896 |
83.2 |
-3.9 |
0.919 |
2 |
0 |
0 |
0.021 |
50 |
57 |
|
[PO4]D:505 |
5 |
1 |
191 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
18833 |
83.0 |
-4.9 |
0.802 |
2 |
0 |
0 |
0.022 |
51 |
58 |
|
[PO4]C:513 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
18558 |
83.0 |
-3.9 |
0.903 |
2 |
0 |
0 |
0.019 |
52 |
59 |
|
[PO4]A:507 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
18531 |
81.7 |
-4.0 |
0.901 |
3 |
0 |
0 |
0.023 |
53 |
60 |
|
[PO4]A:508 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
18531 |
78.9 |
-4.5 |
0.747 |
2 |
0 |
0 |
0.023 |
54 |
61 |
|
[PO4]C:508 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
18558 |
78.9 |
-4.6 |
0.809 |
0 |
0 |
0 |
0.018 |
55 |
62 |
|
[PO4]C:509 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
18558 |
78.6 |
-4.5 |
0.752 |
1 |
0 |
0 |
0.019 |
56 |
63 |
|
[PO4]D:500 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
18833 |
78.6 |
-5.2 |
0.644 |
2 |
0 |
0 |
0.023 |
57 |
64 |
|
[PO4]D:504 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
18833 |
78.5 |
-5.3 |
0.602 |
0 |
0 |
0 |
0.020 |
58 |
65 |
|
[PO4]B:505 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18896 |
78.2 |
-5.1 |
0.607 |
2 |
0 |
0 |
0.026 |
59 |
66 |
|
[PO4]C:514 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
18558 |
77.9 |
-5.3 |
0.648 |
2 |
0 |
0 |
0.024 |
60 |
67 |
|
[PO4]B:500 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18896 |
77.6 |
-5.2 |
0.626 |
2 |
0 |
0 |
0.026 |
61 |
68 |
|
[PO4]A:514 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18531 |
77.4 |
-5.2 |
0.626 |
2 |
0 |
0 |
0.026 |
62 |
69 |
|
[PO4]A:516 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18531 |
77.0 |
-4.5 |
0.796 |
2 |
0 |
0 |
0.023 |
63 |
70 |
|
[PO4]B:516 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18896 |
77.0 |
-3.2 |
0.938 |
2 |
0 |
0 |
0.018 |
64 |
71 |
|
[PO4]D:506 |
4 |
1 |
190 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
18833 |
76.9 |
-4.8 |
0.702 |
2 |
0 |
0 |
0.021 |
65 |
72 |
|
[PO4]C:505 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
18558 |
76.2 |
-4.5 |
0.714 |
2 |
0 |
0 |
0.021 |
66 |
73 |
|
[PO4]D:508 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
18833 |
75.9 |
-3.3 |
0.927 |
3 |
0 |
0 |
0.018 |
67 |
74 |
|
[PO4]B:512 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
18896 |
75.9 |
-3.4 |
0.927 |
3 |
0 |
0 |
0.021 |
68 |
75 |
|
[PO4]A:519 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
18531 |
73.2 |
-4.6 |
0.649 |
2 |
0 |
0 |
0.024 |
69 |
76 |
|
[PO4]B:510 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
18896 |
72.7 |
-4.4 |
0.737 |
1 |
0 |
0 |
0.021 |
70 |
77 |
|
[PO4]D:509 |
4 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
18833 |
70.2 |
-3.5 |
0.853 |
3 |
0 |
0 |
0.018 |
71 |
78 |
|
[PO4]C:511 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
18558 |
69.6 |
-4.3 |
0.693 |
2 |
0 |
0 |
0.020 |
72 |
79 |
|
A |
6 |
3 |
18531 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
18531 |
68.6 |
-1.1 |
0.210 |
0 |
0 |
0 |
0.000 |
80 |
|
C |
8 |
2 |
18558 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
18558 |
66.4 |
-1.0 |
0.219 |
0 |
0 |
0 |
0.000 |
Average: |
67.5 |
-1.0 |
0.215 |
0 |
0 |
0 |
0.000 |
73 |
81 |
|
[PO4]C:507 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
18558 |
68.1 |
-4.2 |
0.726 |
1 |
0 |
0 |
0.018 |
74 |
82 |
|
[PO4]B:514 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18896 |
67.5 |
-3.4 |
0.929 |
3 |
0 |
0 |
0.020 |
75 |
83 |
|
[PO4]C:515 |
4 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
18558 |
66.7 |
-3.3 |
0.930 |
3 |
0 |
0 |
0.018 |
76 |
84 |
|
C |
8 |
3 |
18558 |
f |
[PO4]B:509 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
190 |
66.1 |
-3.6 |
0.766 |
0 |
0 |
0 |
0.014 |
77 |
85 |
|
[PO4]A:503 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18531 |
65.6 |
-3.0 |
0.920 |
2 |
0 |
0 |
0.017 |
78 |
86 |
|
[PO4]B:513 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
18896 |
63.3 |
-2.2 |
0.966 |
3 |
0 |
0 |
0.015 |
79 |
87 |
|
D |
5 |
2 |
18833 |
f |
[PO4]A:513 |
x,y-1,z |
1_545 |
4 |
1 |
189 |
61.5 |
-2.9 |
0.875 |
1 |
0 |
0 |
0.013 |
80 |
88 |
|
[PO4]A:510 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18531 |
60.2 |
-3.6 |
0.660 |
2 |
0 |
0 |
0.019 |
81 |
89 |
|
[PO4]C:506 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
18558 |
59.9 |
-3.4 |
0.709 |
1 |
0 |
0 |
0.015 |
82 |
90 |
|
[PO4]C:500 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
18558 |
59.3 |
-3.1 |
0.861 |
1 |
0 |
0 |
0.014 |
83 |
91 |
|
[PO4]A:500 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18531 |
58.6 |
-3.3 |
0.849 |
1 |
0 |
0 |
0.000 |
84 |
92 |
|
D |
6 |
2 |
18833 |
f |
[PO4]A:509 |
x,y-1,z |
1_545 |
4 |
1 |
188 |
56.2 |
-2.7 |
0.891 |
2 |
0 |
0 |
0.013 |
85 |
93 |
|
[PO4]A:512 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18531 |
55.2 |
-2.3 |
0.914 |
2 |
0 |
0 |
0.014 |
86 |
94 |
|
[PO4]C:512 |
4 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
18558 |
54.9 |
-2.4 |
0.906 |
3 |
0 |
0 |
0.014 |
87 |
95 |
|
[PO4]C:510 |
4 |
1 |
189 |
f |
B |
x,y-1,z |
1_545 |
7 |
3 |
18896 |
54.6 |
-2.7 |
0.868 |
2 |
0 |
0 |
0.015 |
88 |
96 |
|
[PO4]A:513 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18531 |
54.5 |
-2.4 |
0.938 |
2 |
0 |
0 |
0.000 |
89 |
97 |
|
C |
4 |
2 |
18558 |
◊ |
[PO4]B:513 |
x,y-1,z |
1_545 |
5 |
1 |
190 |
54.3 |
-2.0 |
0.956 |
2 |
0 |
0 |
0.000 |
90 |
98 |
|
[PO4]C:514 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
18896 |
52.2 |
-2.6 |
0.835 |
2 |
0 |
0 |
0.014 |
91 |
99 |
|
[PO4]A:514 |
5 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
18833 |
50.3 |
-2.6 |
0.827 |
1 |
0 |
0 |
0.006 |
92 |
100 |
|
[PO4]B:509 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
18896 |
49.2 |
-1.4 |
0.941 |
0 |
0 |
0 |
0.000 |
93 |
101 |
|
[PO4]C:500 |
4 |
1 |
186 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
18531 |
48.0 |
-2.3 |
0.907 |
1 |
0 |
0 |
0.000 |
94 |
102 |
|
C |
6 |
2 |
18558 |
◊ |
[PO4]A:500 |
x,y-1,z |
1_545 |
4 |
1 |
188 |
47.8 |
-2.1 |
0.928 |
1 |
0 |
0 |
0.000 |
95 |
103 |
|
[PO4]C:520 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
18896 |
24.3 |
-1.1 |
0.860 |
0 |
0 |
0 |
0.004 |
96 |
104 |
|
[PO4]A:512 |
2 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18896 |
24.1 |
-0.5 |
0.963 |
1 |
0 |
0 |
0.004 |
97 |
105 |
|
[PO4]A:509 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
18531 |
20.9 |
-1.2 |
0.763 |
0 |
0 |
0 |
0.000 |
98 |
106 |
|
[PO4]C:510 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18558 |
20.6 |
-0.9 |
0.875 |
0 |
0 |
0 |
0.000 |
99 |
107 |
|
[PO4]C:506 |
1 |
1 |
188 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
18896 |
18.8 |
-1.6 |
0.260 |
0 |
0 |
0 |
0.000 |
100 |
108 |
|
D |
2 |
1 |
18833 |
◊ |
[PO4]A:510 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
188 |
18.4 |
-1.6 |
0.233 |
0 |
0 |
0 |
0.000 |
101 |
109 |
|
[PO4]D:499 |
1 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18558 |
15.5 |
-0.7 |
0.800 |
1 |
0 |
0 |
0.004 |
102 |
110 |
|
[PO4]B:499 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18531 |
13.6 |
-0.6 |
0.780 |
0 |
0 |
0 |
0.003 |
103 |
111 |
|
[PO4]A:503 |
1 |
1 |
188 |
f |
[PO4]A:502 |
x,y,z |
1_555 |
1 |
1 |
187 |
11.5 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.005 |
104 |
112 |
|
[PO4]D:507 |
1 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18896 |
11.3 |
-0.8 |
0.383 |
0 |
0 |
0 |
0.001 |
105 |
113 |
|
[PO4]C:515 |
1 |
1 |
189 |
f |
[PO4]C:501 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.7 |
-1.0 |
0.800 |
0 |
0 |
0 |
0.004 |
106 |
114 |
|
C |
2 |
1 |
18558 |
◊ |
[PO4]B:507 |
x,y-1,z |
1_545 |
3 |
1 |
188 |
9.1 |
-0.4 |
0.869 |
0 |
0 |
0 |
0.000 |
107 |
115 |
|
[PO4]C:499 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18833 |
8.4 |
-0.4 |
0.778 |
0 |
0 |
0 |
0.001 |
108 |
116 |
|
[PO4]B:514 |
1 |
1 |
189 |
f |
[PO4]B:502 |
x,y,z |
1_555 |
1 |
1 |
187 |
7.3 |
-0.8 |
0.800 |
0 |
0 |
0 |
0.003 |
109 |
117 |
|
D |
2 |
2 |
18833 |
◊ |
[PO4]A:505 |
x,y-1,z |
1_545 |
2 |
1 |
188 |
7.3 |
-0.1 |
0.910 |
0 |
0 |
0 |
0.000 |
110 |
118 |
|
[PO4]A:499 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18896 |
7.1 |
-0.3 |
0.810 |
0 |
0 |
0 |
0.001 |
111 |
119 |
|
[PO4]D:509 |
1 |
1 |
189 |
f |
[PO4]D:503 |
x,y,z |
1_555 |
1 |
1 |
188 |
6.0 |
-0.6 |
0.800 |
0 |
0 |
0 |
0.002 |
112 |
120 |
|
[PO4]B:514 |
3 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18531 |
4.9 |
-0.0 |
0.879 |
0 |
0 |
0 |
0.000 |
113 |
121 |
|
[PO4]C:520 |
1 |
1 |
187 |
f |
[PO4]C:518 |
x,y,z |
1_555 |
2 |
1 |
188 |
3.9 |
-0.4 |
0.876 |
0 |
0 |
0 |
0.001 |
114 |
122 |
|
[PO4]C:515 |
3 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18833 |
2.0 |
0.1 |
0.901 |
0 |
0 |
0 |
0.000 |
115 |
123 |
|
[PO4]C:516 |
1 |
1 |
188 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
18896 |
1.0 |
-0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
116 |
124 |
|
[PO4]D:509 |
1 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18558 |
0.8 |
-0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
117 |
125 |
|
[NAG]A:498 |
1 |
1 |
361 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
18531 |
0.7 |
0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
|