## |
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 |
93 |
22 |
15165 |
x |
B |
-y,x-y-2,z-1/3 |
2_534 |
69 |
21 |
15165 |
813.4 |
-11.4 |
0.026 |
6 |
1 |
0 |
0.000 |
2 |
|
A |
70 |
21 |
15168 |
x |
A |
-y,x-y-1,z-1/3 |
2_544 |
91 |
22 |
15168 |
812.9 |
-11.5 |
0.025 |
6 |
1 |
0 |
0.000 |
Average: |
813.1 |
-11.4 |
0.026 |
6 |
1 |
0 |
0.000 |
2 |
3 |
|
B |
79 |
24 |
15165 |
◊ |
A |
x,y,z |
1_555 |
75 |
24 |
15168 |
631.4 |
-7.4 |
0.201 |
0 |
0 |
0 |
0.039 |
3 |
4 |
|
[PO4]B:12 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15165 |
85.3 |
-1.7 |
0.831 |
3 |
0 |
0 |
0.016 |
4 |
5 |
|
[PO4]A:27 |
4 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
15168 |
83.6 |
-0.7 |
0.853 |
4 |
0 |
0 |
0.013 |
5 |
6 |
|
A |
7 |
2 |
15168 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
15165 |
80.2 |
-1.5 |
0.260 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
7 |
2 |
15165 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
3 |
15168 |
79.8 |
-1.5 |
0.261 |
0 |
0 |
0 |
0.000 |
Average: |
80.0 |
-1.5 |
0.260 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[PO4]A:19 |
4 |
1 |
176 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
15168 |
79.6 |
-0.7 |
0.837 |
1 |
0 |
0 |
0.006 |
7 |
9 |
|
[PO4]B:4 |
4 |
1 |
176 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15165 |
78.9 |
-0.2 |
0.855 |
4 |
0 |
0 |
0.010 |
8 |
10 |
|
[PO4]A:28 |
4 |
1 |
179 |
◊ |
A |
x,y,z |
1_555 |
7 |
6 |
15168 |
77.3 |
0.0 |
0.857 |
2 |
0 |
0 |
0.005 |
9 |
11 |
|
[PO4]B:9 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
15165 |
77.0 |
-1.0 |
0.842 |
4 |
0 |
0 |
0.015 |
10 |
12 |
|
[PO4]B:11 |
4 |
1 |
178 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15165 |
75.1 |
-1.3 |
0.839 |
2 |
0 |
0 |
0.011 |
11 |
13 |
|
[PO4]A:20 |
4 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
15168 |
74.5 |
-1.5 |
0.844 |
4 |
0 |
0 |
0.017 |
12 |
14 |
|
[PO4]A:21 |
4 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
15168 |
73.4 |
-0.3 |
0.851 |
4 |
0 |
0 |
0.011 |
13 |
15 |
|
[PO4]B:3 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
15165 |
73.3 |
0.4 |
0.855 |
2 |
0 |
0 |
0.003 |
14 |
16 |
|
[PO4]B:10 |
4 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
15165 |
73.1 |
-0.9 |
0.851 |
5 |
0 |
0 |
0.016 |
15 |
17 |
|
[SO4]B:481 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15165 |
72.8 |
-10.7 |
0.716 |
3 |
0 |
0 |
0.064 |
16 |
18 |
|
[SO4]A:1 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15168 |
71.8 |
-10.8 |
0.684 |
5 |
0 |
0 |
0.100 |
17 |
19 |
|
[PO4]A:22 |
4 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
15168 |
69.8 |
-1.1 |
0.845 |
4 |
0 |
0 |
0.015 |
18 |
20 |
|
[PO4]A:23 |
4 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
15168 |
69.5 |
-2.4 |
0.803 |
4 |
0 |
0 |
0.022 |
19 |
21 |
|
[PO4]B:7 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
15165 |
67.8 |
-1.6 |
0.822 |
3 |
0 |
0 |
0.016 |
20 |
22 |
|
[PO4]A:24 |
4 |
1 |
178 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
15168 |
67.7 |
-1.9 |
0.820 |
4 |
0 |
0 |
0.019 |
21 |
23 |
|
[PO4]A:25 |
4 |
1 |
178 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
15168 |
67.6 |
-2.5 |
0.807 |
6 |
0 |
0 |
0.027 |
22 |
24 |
|
[PO4]B:8 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
15165 |
67.6 |
-2.3 |
0.794 |
4 |
0 |
0 |
0.022 |
23 |
25 |
|
[PO4]B:13 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
15165 |
67.0 |
-1.4 |
0.784 |
1 |
0 |
0 |
0.010 |
24 |
26 |
|
[PO4]A:29 |
5 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15168 |
65.1 |
-1.7 |
0.976 |
3 |
0 |
0 |
0.016 |
25 |
27 |
|
[PO4]B:6 |
4 |
1 |
176 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
15165 |
64.8 |
-2.7 |
0.792 |
7 |
0 |
0 |
0.031 |
26 |
28 |
|
[PO4]A:26 |
4 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
15168 |
64.7 |
-1.8 |
0.835 |
6 |
0 |
0 |
0.024 |
27 |
29 |
|
[PO4]A:18 |
4 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15168 |
64.1 |
-1.3 |
0.871 |
1 |
0 |
0 |
0.009 |
28 |
30 |
|
[PO4]B:5 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
15165 |
63.4 |
-0.8 |
0.844 |
5 |
0 |
0 |
0.016 |
29 |
31 |
|
[SO4]B:482 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15165 |
56.0 |
-6.8 |
0.823 |
3 |
0 |
0 |
0.043 |
30 |
32 |
|
[PO4]B:2 |
4 |
1 |
176 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15165 |
55.6 |
-0.7 |
0.950 |
0 |
0 |
0 |
0.004 |
31 |
33 |
|
[PO4]B:2 |
3 |
1 |
176 |
cf |
[PO4]B:1 |
x,y,z |
1_555 |
3 |
1 |
177 |
49.8 |
-2.5 |
0.911 |
0 |
0 |
0 |
0.013 |
32 |
34 |
|
[PO4]A:29 |
4 |
1 |
190 |
cf |
[PO4]A:28 |
x,y,z |
1_555 |
4 |
1 |
179 |
46.8 |
-2.4 |
0.961 |
0 |
0 |
0 |
0.013 |
33 |
35 |
|
[PO4]B:1 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15165 |
46.2 |
-0.9 |
0.946 |
2 |
0 |
0 |
0.009 |
34 |
36 |
|
[PO4]B:14 |
4 |
1 |
177 |
cf |
[PO4]A:15 |
x,y,z |
1_555 |
3 |
1 |
177 |
42.0 |
-1.8 |
0.895 |
0 |
0 |
0 |
0.010 |
35 |
37 |
|
[PO4]B:16 |
3 |
1 |
177 |
cf |
[PO4]A:15 |
x,y,z |
1_555 |
4 |
1 |
177 |
41.4 |
-1.2 |
0.895 |
0 |
0 |
0 |
0.006 |
36 |
38 |
|
[PO4]B:16 |
4 |
1 |
177 |
cf |
[PO4]A:17 |
x,y,z |
1_555 |
3 |
1 |
177 |
41.1 |
-1.6 |
0.895 |
0 |
0 |
0 |
0.008 |
37 |
39 |
|
[PO4]B:3 |
3 |
1 |
177 |
cf |
[PO4]B:2 |
x,y,z |
1_555 |
4 |
1 |
176 |
38.9 |
-1.3 |
0.895 |
0 |
0 |
0 |
0.007 |
38 |
40 |
|
[PO4]B:14 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15165 |
38.7 |
-2.1 |
0.740 |
0 |
0 |
0 |
0.011 |
39 |
41 |
|
[PO4]A:18 |
4 |
1 |
177 |
cf |
[PO4]A:17 |
x,y,z |
1_555 |
4 |
1 |
177 |
38.7 |
-1.9 |
0.837 |
0 |
0 |
0 |
0.010 |
40 |
42 |
|
[PO4]A:28 |
4 |
1 |
179 |
cf |
[PO4]A:27 |
x,y,z |
1_555 |
4 |
1 |
177 |
38.0 |
-2.1 |
0.949 |
0 |
0 |
0 |
0.011 |
41 |
43 |
|
[PO4]B:14 |
3 |
1 |
177 |
cf |
[PO4]B:13 |
x,y,z |
1_555 |
3 |
1 |
177 |
37.9 |
-1.9 |
0.911 |
0 |
0 |
0 |
0.010 |
42 |
44 |
|
[PO4]A:17 |
3 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15168 |
36.6 |
-1.3 |
0.652 |
0 |
0 |
0 |
0.007 |
43 |
45 |
|
[PO4]A:19 |
3 |
1 |
176 |
cf |
[PO4]A:18 |
x,y,z |
1_555 |
3 |
1 |
177 |
35.1 |
-1.5 |
0.911 |
0 |
0 |
0 |
0.008 |
44 |
46 |
|
[PO4]B:13 |
4 |
1 |
177 |
cf |
[PO4]B:12 |
x,y,z |
1_555 |
3 |
1 |
177 |
34.7 |
-1.7 |
0.967 |
0 |
0 |
0 |
0.009 |
45 |
47 |
|
[PO4]B:12 |
4 |
1 |
177 |
cf |
[PO4]B:11 |
x,y,z |
1_555 |
4 |
1 |
178 |
33.6 |
-1.6 |
0.949 |
0 |
0 |
0 |
0.008 |
46 |
48 |
|
[PO4]A:20 |
3 |
1 |
177 |
cf |
[PO4]A:19 |
x,y,z |
1_555 |
3 |
1 |
176 |
32.2 |
-1.2 |
0.911 |
0 |
0 |
0 |
0.006 |
47 |
49 |
|
[PO4]B:11 |
4 |
1 |
178 |
cf |
[PO4]B:10 |
x,y,z |
1_555 |
4 |
1 |
179 |
32.0 |
-1.4 |
0.949 |
0 |
0 |
0 |
0.008 |
48 |
50 |
|
[PO4]B:4 |
3 |
1 |
176 |
cf |
[PO4]B:3 |
x,y,z |
1_555 |
3 |
1 |
177 |
31.7 |
-1.2 |
0.911 |
0 |
0 |
0 |
0.006 |
49 |
51 |
|
[PO4]A:17 |
3 |
1 |
177 |
f |
[PO4]A:15 |
x,y,z |
1_555 |
3 |
1 |
177 |
31.1 |
-1.8 |
0.844 |
0 |
0 |
0 |
0.010 |
50 |
52 |
|
[PO4]A:27 |
4 |
1 |
177 |
cf |
[PO4]A:26 |
x,y,z |
1_555 |
4 |
1 |
177 |
29.9 |
-1.5 |
0.949 |
0 |
0 |
0 |
0.008 |
51 |
53 |
|
[PO4]B:9 |
3 |
1 |
177 |
cf |
[PO4]B:10 |
x,y,z |
1_555 |
4 |
1 |
179 |
29.9 |
-1.7 |
0.967 |
0 |
0 |
0 |
0.009 |
52 |
54 |
|
[PO4]A:26 |
4 |
1 |
177 |
cf |
[PO4]A:25 |
x,y,z |
1_555 |
3 |
1 |
178 |
29.8 |
-1.8 |
0.895 |
0 |
0 |
0 |
0.009 |
53 |
55 |
|
[PO4]A:21 |
3 |
1 |
177 |
cf |
[PO4]A:20 |
x,y,z |
1_555 |
3 |
1 |
177 |
29.6 |
-1.0 |
0.911 |
0 |
0 |
0 |
0.005 |
54 |
56 |
|
[PO4]A:25 |
3 |
1 |
178 |
cf |
[PO4]A:24 |
x,y,z |
1_555 |
4 |
1 |
178 |
28.6 |
-1.2 |
0.895 |
0 |
0 |
0 |
0.006 |
55 |
57 |
|
[PO4]B:5 |
4 |
1 |
177 |
cf |
[PO4]B:4 |
x,y,z |
1_555 |
3 |
1 |
176 |
28.5 |
-1.3 |
0.967 |
0 |
0 |
0 |
0.007 |
56 |
58 |
|
[PO4]B:16 |
3 |
1 |
177 |
f |
[PO4]A:18 |
x,y,z |
1_555 |
4 |
1 |
177 |
28.3 |
-1.9 |
0.895 |
0 |
0 |
0 |
0.010 |
57 |
59 |
|
[PO4]A:22 |
4 |
1 |
177 |
cf |
[PO4]A:21 |
x,y,z |
1_555 |
4 |
1 |
177 |
28.3 |
-1.2 |
0.949 |
0 |
0 |
0 |
0.006 |
58 |
60 |
|
[PO4]B:7 |
4 |
1 |
177 |
cf |
[PO4]B:6 |
x,y,z |
1_555 |
3 |
1 |
176 |
27.6 |
-1.3 |
0.967 |
0 |
0 |
0 |
0.007 |
59 |
61 |
|
[PO4]B:9 |
4 |
1 |
177 |
cf |
[PO4]B:8 |
x,y,z |
1_555 |
4 |
1 |
177 |
27.5 |
-1.3 |
0.837 |
0 |
0 |
0 |
0.007 |
60 |
62 |
|
[PO4]B:16 |
3 |
1 |
177 |
f |
[PO4]B:14 |
x,y,z |
1_555 |
2 |
1 |
177 |
27.3 |
-1.3 |
0.889 |
0 |
0 |
0 |
0.007 |
61 |
63 |
|
[PO4]A:23 |
3 |
1 |
177 |
cf |
[PO4]A:22 |
x,y,z |
1_555 |
4 |
1 |
177 |
27.2 |
-0.9 |
0.895 |
0 |
0 |
0 |
0.005 |
62 |
64 |
|
[PO4]B:6 |
3 |
1 |
176 |
cf |
[PO4]B:5 |
x,y,z |
1_555 |
4 |
1 |
177 |
27.0 |
-0.9 |
0.895 |
0 |
0 |
0 |
0.005 |
63 |
65 |
|
[PO4]B:8 |
3 |
1 |
177 |
cf |
[PO4]B:7 |
x,y,z |
1_555 |
3 |
1 |
177 |
26.6 |
-1.2 |
0.911 |
0 |
0 |
0 |
0.007 |
64 |
66 |
|
[PO4]B:13 |
2 |
1 |
177 |
f |
[PO4]A:15 |
x,y,z |
1_555 |
3 |
1 |
177 |
26.5 |
-1.5 |
0.889 |
0 |
0 |
0 |
0.008 |
65 |
67 |
|
[PO4]A:24 |
3 |
1 |
178 |
cf |
[PO4]A:23 |
x,y,z |
1_555 |
4 |
1 |
177 |
25.4 |
-1.1 |
0.895 |
0 |
0 |
0 |
0.006 |
66 |
68 |
|
[SO4]B:482 |
4 |
1 |
185 |
◊ |
B |
-y,x-y-2,z-1/3 |
2_534 |
4 |
3 |
15165 |
23.3 |
-2.1 |
0.941 |
1 |
0 |
0 |
0.000 |
67 |
69 |
|
[PO4]B:3 |
2 |
1 |
177 |
f |
[PO4]B:1 |
x,y,z |
1_555 |
3 |
1 |
177 |
22.9 |
-0.9 |
0.961 |
0 |
0 |
0 |
0.005 |
68 |
70 |
|
[PO4]A:24 |
4 |
1 |
178 |
f |
[PO4]A:22 |
x,y,z |
1_555 |
3 |
1 |
177 |
21.0 |
-1.4 |
0.895 |
0 |
0 |
0 |
0.008 |
69 |
71 |
|
[PO4]B:4 |
3 |
1 |
176 |
f |
[PO4]B:2 |
x,y,z |
1_555 |
3 |
1 |
176 |
20.9 |
-0.8 |
0.911 |
0 |
0 |
0 |
0.004 |
70 |
72 |
|
[PO4]B:9 |
4 |
1 |
177 |
f |
[PO4]B:7 |
x,y,z |
1_555 |
3 |
1 |
177 |
20.3 |
-1.4 |
0.895 |
0 |
0 |
0 |
0.008 |
71 |
73 |
|
[PO4]A:22 |
3 |
1 |
177 |
f |
[PO4]A:20 |
x,y,z |
1_555 |
3 |
1 |
177 |
20.0 |
-1.3 |
0.844 |
0 |
0 |
0 |
0.007 |
72 |
74 |
|
[PO4]B:5 |
3 |
1 |
177 |
f |
[PO4]B:3 |
x,y,z |
1_555 |
2 |
1 |
177 |
18.6 |
-1.2 |
0.889 |
0 |
0 |
0 |
0.006 |
73 |
75 |
|
[PO4]A:25 |
3 |
1 |
178 |
f |
[PO4]A:23 |
x,y,z |
1_555 |
2 |
1 |
177 |
18.1 |
-1.1 |
0.889 |
0 |
0 |
0 |
0.006 |
74 |
76 |
|
[PO4]A:21 |
2 |
1 |
177 |
f |
[PO4]A:19 |
x,y,z |
1_555 |
2 |
1 |
176 |
17.1 |
-1.1 |
0.726 |
0 |
0 |
0 |
0.006 |
75 |
77 |
|
[PO4]A:29 |
3 |
1 |
190 |
f |
[PO4]A:27 |
x,y,z |
1_555 |
3 |
1 |
177 |
16.5 |
-0.7 |
0.988 |
0 |
0 |
0 |
0.004 |
76 |
78 |
|
[PO4]B:7 |
3 |
1 |
177 |
f |
[PO4]B:5 |
x,y,z |
1_555 |
2 |
1 |
177 |
16.2 |
-1.2 |
0.889 |
0 |
0 |
0 |
0.006 |
77 |
79 |
|
[PO4]A:28 |
4 |
1 |
179 |
f |
[PO4]A:26 |
x,y,z |
1_555 |
3 |
1 |
177 |
15.9 |
-0.6 |
0.967 |
0 |
0 |
0 |
0.003 |
78 |
80 |
|
[PO4]B:12 |
3 |
1 |
177 |
f |
[PO4]B:10 |
x,y,z |
1_555 |
2 |
1 |
179 |
15.6 |
-0.5 |
0.889 |
0 |
0 |
0 |
0.002 |
79 |
81 |
|
[PO4]B:14 |
2 |
1 |
177 |
f |
[PO4]B:12 |
x,y,z |
1_555 |
3 |
1 |
177 |
15.5 |
-0.7 |
0.961 |
0 |
0 |
0 |
0.004 |
80 |
82 |
|
[PO4]B:8 |
3 |
1 |
177 |
f |
[PO4]B:6 |
x,y,z |
1_555 |
3 |
1 |
176 |
15.5 |
-0.7 |
0.911 |
0 |
0 |
0 |
0.004 |
81 |
83 |
|
[PO4]A:20 |
1 |
1 |
177 |
f |
[PO4]A:18 |
x,y,z |
1_555 |
3 |
1 |
177 |
14.7 |
-0.7 |
0.859 |
0 |
0 |
0 |
0.003 |
82 |
84 |
|
[PO4]A:26 |
2 |
1 |
177 |
f |
[PO4]A:24 |
x,y,z |
1_555 |
2 |
1 |
178 |
14.1 |
-0.9 |
0.937 |
0 |
0 |
0 |
0.005 |
83 |
85 |
|
[PO4]B:9 |
3 |
1 |
177 |
f |
[PO4]B:11 |
x,y,z |
1_555 |
3 |
1 |
178 |
13.8 |
-0.5 |
0.911 |
0 |
0 |
0 |
0.003 |
84 |
86 |
|
[PO4]B:13 |
3 |
1 |
177 |
f |
[PO4]B:11 |
x,y,z |
1_555 |
1 |
1 |
178 |
13.4 |
-0.4 |
0.795 |
0 |
0 |
0 |
0.002 |
85 |
87 |
|
[PO4]B:16 |
4 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15165 |
13.3 |
-0.2 |
0.926 |
0 |
0 |
0 |
0.001 |
86 |
88 |
|
[PO4]A:19 |
2 |
1 |
176 |
f |
[PO4]A:17 |
x,y,z |
1_555 |
1 |
1 |
177 |
13.2 |
-0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
87 |
89 |
|
[PO4]A:15 |
3 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15168 |
12.3 |
0.1 |
0.937 |
0 |
0 |
0 |
0.000 |
88 |
90 |
|
[PO4]A:23 |
3 |
1 |
177 |
f |
[PO4]A:21 |
x,y,z |
1_555 |
2 |
1 |
177 |
11.9 |
-0.3 |
0.889 |
0 |
0 |
0 |
0.002 |
89 |
91 |
|
[PO4]B:8 |
2 |
1 |
177 |
f |
[PO4]B:10 |
x,y,z |
1_555 |
2 |
1 |
179 |
11.8 |
-0.5 |
0.937 |
0 |
0 |
0 |
0.003 |
90 |
92 |
|
[PO4]B:14 |
2 |
1 |
177 |
f |
[PO4]A:17 |
x,y,z |
1_555 |
3 |
1 |
177 |
11.5 |
-0.4 |
0.889 |
0 |
0 |
0 |
0.002 |
91 |
93 |
|
[PO4]B:16 |
2 |
1 |
177 |
f |
[PO4]B:13 |
x,y,z |
1_555 |
3 |
1 |
177 |
11.2 |
-0.7 |
0.961 |
0 |
0 |
0 |
0.004 |
92 |
94 |
|
[PO4]B:4 |
2 |
1 |
176 |
f |
[PO4]B:1 |
x,y,z |
1_555 |
2 |
1 |
177 |
11.1 |
-0.9 |
0.937 |
0 |
0 |
0 |
0.005 |
93 |
95 |
|
[PO4]B:6 |
2 |
1 |
176 |
f |
[PO4]B:4 |
x,y,z |
1_555 |
2 |
1 |
176 |
10.8 |
-0.1 |
0.937 |
0 |
0 |
0 |
0.000 |
94 |
96 |
|
[PO4]B:8 |
3 |
1 |
177 |
f |
[PO4]B:5 |
x,y,z |
1_555 |
2 |
1 |
177 |
10.7 |
-1.1 |
0.889 |
0 |
0 |
0 |
0.006 |
95 |
97 |
|
[PO4]A:27 |
3 |
1 |
177 |
f |
[PO4]A:25 |
x,y,z |
1_555 |
2 |
1 |
178 |
10.6 |
-0.3 |
0.889 |
0 |
0 |
0 |
0.002 |
96 |
98 |
|
[PO4]A:18 |
4 |
1 |
177 |
f |
[PO4]A:15 |
x,y,z |
1_555 |
2 |
1 |
177 |
9.4 |
-0.4 |
0.943 |
0 |
0 |
0 |
0.002 |
97 |
99 |
|
[PO4]A:27 |
1 |
1 |
177 |
f |
[PO4]A:21 |
x,y,z |
1_555 |
1 |
1 |
177 |
9.2 |
-1.0 |
0.750 |
0 |
0 |
0 |
0.005 |
98 |
100 |
|
[PO4]A:26 |
3 |
1 |
177 |
f |
[PO4]A:23 |
x,y,z |
1_555 |
2 |
1 |
177 |
8.7 |
-0.8 |
0.889 |
0 |
0 |
0 |
0.004 |
99 |
101 |
|
[PO4]A:15 |
3 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
15165 |
8.0 |
-0.4 |
0.661 |
0 |
0 |
0 |
0.002 |
100 |
102 |
|
[PO4]B:9 |
1 |
1 |
177 |
f |
[PO4]B:5 |
x,y,z |
1_555 |
1 |
1 |
177 |
7.1 |
-0.8 |
0.750 |
0 |
0 |
0 |
0.004 |
101 |
103 |
|
[PO4]A:24 |
3 |
1 |
178 |
f |
[PO4]A:21 |
x,y,z |
1_555 |
3 |
1 |
177 |
7.0 |
-0.3 |
0.911 |
0 |
0 |
0 |
0.002 |
102 |
104 |
|
[PO4]B:7 |
2 |
1 |
177 |
f |
[PO4]B:10 |
x,y,z |
1_555 |
4 |
1 |
179 |
6.6 |
-0.6 |
0.943 |
0 |
0 |
0 |
0.003 |
103 |
105 |
|
[PO4]B:16 |
2 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15168 |
6.2 |
-0.2 |
0.836 |
0 |
0 |
0 |
0.001 |
104 |
106 |
|
[PO4]A:25 |
3 |
1 |
178 |
f |
[PO4]A:22 |
x,y,z |
1_555 |
2 |
1 |
177 |
6.2 |
-0.4 |
0.889 |
0 |
0 |
0 |
0.002 |
105 |
107 |
|
[PO4]B:9 |
1 |
1 |
177 |
f |
[PO4]B:6 |
x,y,z |
1_555 |
1 |
1 |
176 |
4.0 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
106 |
108 |
|
[PO4]B:5 |
1 |
1 |
177 |
f |
[PO4]B:10 |
x,y,z |
1_555 |
1 |
1 |
179 |
3.9 |
-0.4 |
0.750 |
0 |
0 |
0 |
0.002 |
107 |
109 |
|
[PO4]A:20 |
1 |
1 |
177 |
f |
[PO4]A:17 |
x,y,z |
1_555 |
1 |
1 |
177 |
3.4 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
108 |
110 |
|
[PO4]B:7 |
1 |
1 |
177 |
f |
[PO4]B:4 |
x,y,z |
1_555 |
1 |
1 |
176 |
3.3 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
109 |
111 |
|
[PO4]B:16 |
2 |
1 |
177 |
f |
[PO4]A:19 |
x,y,z |
1_555 |
1 |
1 |
176 |
3.1 |
-0.3 |
0.839 |
0 |
0 |
0 |
0.002 |
110 |
112 |
|
[PO4]A:23 |
1 |
1 |
177 |
f |
[PO4]A:20 |
x,y,z |
1_555 |
2 |
1 |
177 |
2.6 |
-0.2 |
0.839 |
0 |
0 |
0 |
0.000 |
111 |
113 |
|
[PO4]B:4 |
3 |
1 |
176 |
f |
[PO4]B:10 |
x,y,z |
1_555 |
1 |
1 |
179 |
2.3 |
-0.2 |
0.859 |
0 |
0 |
0 |
0.001 |
112 |
114 |
|
[PO4]B:6 |
1 |
1 |
176 |
f |
[PO4]B:3 |
x,y,z |
1_555 |
1 |
1 |
177 |
1.8 |
-0.2 |
0.750 |
0 |
0 |
0 |
0.001 |
113 |
115 |
|
[PO4]B:14 |
1 |
1 |
177 |
f |
[PO4]B:11 |
x,y,z |
1_555 |
1 |
1 |
178 |
1.7 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
114 |
116 |
|
[PO4]B:13 |
1 |
1 |
177 |
f |
[PO4]B:10 |
x,y,z |
1_555 |
1 |
1 |
179 |
1.5 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
115 |
117 |
|
[PO4]A:27 |
2 |
1 |
177 |
f |
[PO4]A:24 |
x,y,z |
1_555 |
1 |
1 |
178 |
1.4 |
-0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
116 |
118 |
|
[PO4]A:21 |
1 |
1 |
177 |
f |
[PO4]A:18 |
x,y,z |
1_555 |
1 |
1 |
177 |
0.6 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
117 |
119 |
|
[PO4]A:26 |
1 |
1 |
177 |
f |
[PO4]A:21 |
x,y,z |
1_555 |
1 |
1 |
177 |
0.1 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
118 |
120 |
|
[PO4]A:27 |
1 |
1 |
177 |
f |
[PO4]A:22 |
x,y,z |
1_555 |
1 |
1 |
177 |
0.1 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
|