## |
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 |
|
F |
47 |
15 |
12691 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
59 |
22 |
12902 |
546.9 |
-0.9 |
0.606 |
2 |
1 |
0 |
0.000 |
2 |
2 |
|
E |
72 |
19 |
12528 |
◊ |
C |
x,y,z |
1_555 |
65 |
20 |
12874 |
546.3 |
-8.1 |
0.197 |
1 |
0 |
0 |
0.000 |
3 |
|
B |
60 |
20 |
13117 |
◊ |
H |
x,y,z-1 |
1_554 |
68 |
20 |
12586 |
525.6 |
-6.0 |
0.295 |
1 |
0 |
0 |
0.000 |
4 |
|
F |
62 |
19 |
12691 |
◊ |
D |
x,y,z |
1_555 |
65 |
19 |
12902 |
507.3 |
-8.4 |
0.116 |
2 |
0 |
0 |
0.000 |
5 |
|
G |
64 |
19 |
13040 |
◊ |
A |
x,y,z |
1_555 |
69 |
21 |
12816 |
499.9 |
-7.7 |
0.207 |
2 |
0 |
0 |
0.000 |
Average: |
519.8 |
-7.5 |
0.204 |
2 |
0 |
0 |
0.000 |
3 |
6 |
|
D |
46 |
15 |
12902 |
◊ |
C |
x,y,z |
1_555 |
44 |
17 |
12874 |
417.0 |
-2.0 |
0.546 |
4 |
2 |
0 |
0.000 |
7 |
|
F |
38 |
12 |
12691 |
◊ |
E |
x,y,z |
1_555 |
47 |
18 |
12528 |
394.5 |
-3.0 |
0.446 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
41 |
13 |
13117 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
40 |
15 |
12816 |
392.4 |
-0.7 |
0.684 |
5 |
0 |
0 |
0.000 |
9 |
|
H |
41 |
14 |
12586 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
42 |
17 |
13040 |
388.7 |
-1.3 |
0.636 |
6 |
0 |
0 |
0.000 |
Average: |
398.2 |
-1.7 |
0.578 |
4 |
1 |
0 |
0.000 |
4 |
10 |
|
B |
49 |
20 |
13117 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
46 |
13 |
12586 |
415.1 |
-1.9 |
0.522 |
2 |
2 |
0 |
0.000 |
5 |
11 |
|
G |
47 |
12 |
13040 |
◊ |
E |
x,y,z |
1_555 |
39 |
13 |
12528 |
408.5 |
-3.7 |
0.380 |
1 |
0 |
0 |
0.000 |
6 |
12 |
|
C |
42 |
12 |
12874 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
14 |
13040 |
376.1 |
0.4 |
0.780 |
2 |
2 |
0 |
0.000 |
7 |
13 |
|
E |
41 |
12 |
12528 |
◊ |
F |
x-1,y,z |
1_455 |
42 |
12 |
12691 |
375.1 |
-0.3 |
0.675 |
2 |
1 |
0 |
0.000 |
8 |
14 |
|
F |
33 |
12 |
12691 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
31 |
13 |
12586 |
302.9 |
1.2 |
0.717 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
E |
29 |
10 |
12528 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
13117 |
246.6 |
-0.8 |
0.626 |
1 |
0 |
0 |
0.000 |
16 |
|
F |
25 |
8 |
12691 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
24 |
6 |
12816 |
204.2 |
0.5 |
0.719 |
0 |
0 |
0 |
0.000 |
Average: |
225.4 |
-0.2 |
0.673 |
1 |
0 |
0 |
0.000 |
10 |
17 |
|
D |
41 |
12 |
12902 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
34 |
11 |
13040 |
245.7 |
-2.9 |
0.404 |
0 |
0 |
0 |
0.000 |
18 |
|
H |
13 |
7 |
12586 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
12874 |
152.2 |
-1.7 |
0.394 |
0 |
1 |
0 |
0.000 |
Average: |
199.0 |
-2.3 |
0.399 |
0 |
1 |
0 |
0.000 |
11 |
19 |
|
E |
24 |
8 |
12528 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
12816 |
235.1 |
0.2 |
0.730 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
B |
26 |
11 |
13117 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
7 |
13117 |
194.9 |
-0.9 |
0.603 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
E |
18 |
7 |
12528 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
12816 |
158.2 |
-0.7 |
0.572 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
E |
18 |
8 |
12528 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
9 |
12902 |
156.9 |
0.8 |
0.708 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
B |
15 |
5 |
13117 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
12816 |
138.6 |
-1.2 |
0.493 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
G |
10 |
3 |
13040 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
12902 |
138.5 |
-0.0 |
0.650 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
H |
16 |
5 |
12586 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
6 |
13040 |
125.5 |
-1.8 |
0.311 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
F |
14 |
8 |
12691 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
5 |
12874 |
124.5 |
-0.4 |
0.549 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
[PO4]F:405 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
19 |
9 |
12691 |
121.5 |
-8.9 |
0.513 |
1 |
0 |
0 |
0.022 |
20 |
28 |
|
[PO4]G:402 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
19 |
8 |
13040 |
120.4 |
-8.6 |
0.681 |
0 |
0 |
0 |
0.023 |
21 |
29 |
|
[PO4]C:401 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
12874 |
119.7 |
-8.9 |
0.576 |
0 |
0 |
0 |
0.034 |
22 |
30 |
|
[PO4]A:401 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12816 |
119.1 |
-9.0 |
0.525 |
0 |
0 |
0 |
0.100 |
23 |
31 |
|
[PO4]F:404 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
12691 |
117.7 |
-8.1 |
0.545 |
1 |
0 |
0 |
0.020 |
24 |
32 |
|
[PO4]B:402 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13117 |
114.3 |
-8.2 |
0.534 |
1 |
0 |
0 |
0.021 |
25 |
33 |
|
B |
18 |
4 |
13117 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
15 |
4 |
13040 |
112.2 |
-1.0 |
0.540 |
0 |
0 |
0 |
0.000 |
34 |
|
E |
12 |
3 |
12528 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
12902 |
108.9 |
-0.3 |
0.597 |
1 |
0 |
0 |
0.000 |
35 |
|
F |
13 |
3 |
12691 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
12874 |
102.0 |
-1.0 |
0.466 |
1 |
0 |
0 |
0.000 |
36 |
|
H |
12 |
4 |
12586 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
4 |
12816 |
92.5 |
-1.4 |
0.393 |
0 |
0 |
0 |
0.000 |
Average: |
103.9 |
-0.9 |
0.499 |
1 |
0 |
0 |
0.000 |
26 |
37 |
|
[PO4]H:401 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
20 |
13 |
12586 |
111.6 |
-7.6 |
0.826 |
9 |
0 |
0 |
0.069 |
27 |
38 |
|
[PO4]D:405 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
12902 |
111.5 |
-8.5 |
0.566 |
0 |
0 |
0 |
0.022 |
28 |
39 |
|
[PO4]E:403 |
5 |
1 |
190 |
f |
E |
x,y,z |
1_555 |
20 |
7 |
12528 |
109.9 |
-8.0 |
0.707 |
2 |
0 |
0 |
0.022 |
29 |
40 |
|
[PO4]E:404 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
12528 |
108.2 |
-8.3 |
0.593 |
0 |
0 |
0 |
0.021 |
30 |
41 |
|
[PO4]B:404 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
13117 |
108.1 |
-8.8 |
0.737 |
7 |
0 |
0 |
0.029 |
31 |
42 |
|
[PO4]G:401 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
16 |
10 |
13040 |
106.6 |
-8.9 |
0.708 |
7 |
0 |
0 |
0.032 |
32 |
43 |
|
[PO4]F:402 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
17 |
10 |
12691 |
103.1 |
-9.3 |
0.665 |
8 |
0 |
0 |
0.030 |
33 |
44 |
|
[PO4]D:404 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
12902 |
102.6 |
-7.0 |
0.598 |
0 |
0 |
0 |
0.018 |
34 |
45 |
|
[PO4]E:405 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
12528 |
100.2 |
-6.0 |
0.694 |
0 |
0 |
0 |
0.015 |
35 |
46 |
|
[PO4]E:401 |
5 |
1 |
190 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
12528 |
99.9 |
-7.2 |
0.846 |
9 |
0 |
0 |
0.028 |
36 |
47 |
|
[PO4]D:401 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
12902 |
98.1 |
-9.2 |
0.646 |
7 |
0 |
0 |
0.032 |
37 |
48 |
|
D |
12 |
6 |
12902 |
x |
D |
-x+2,y-1/2,-z+2 |
2_747 |
10 |
6 |
12902 |
97.4 |
-0.1 |
0.381 |
1 |
0 |
0 |
0.000 |
38 |
49 |
|
[PO4]F:406 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
12691 |
96.6 |
-6.9 |
0.661 |
0 |
0 |
0 |
0.016 |
39 |
50 |
|
F |
8 |
4 |
12691 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
13117 |
93.1 |
-1.7 |
0.182 |
1 |
0 |
0 |
0.000 |
40 |
51 |
|
[PO4]C:404 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
12874 |
92.1 |
-6.5 |
0.700 |
0 |
0 |
0 |
0.025 |
41 |
52 |
|
A |
15 |
5 |
12816 |
◊ |
H |
x-1,y,z-1 |
1_454 |
11 |
6 |
12586 |
90.1 |
-0.5 |
0.568 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
B |
12 |
4 |
13117 |
cf |
[PO4]H:403 |
x,y,z-1 |
1_554 |
5 |
1 |
188 |
83.3 |
-4.6 |
0.834 |
1 |
0 |
0 |
0.012 |
43 |
54 |
|
[PO4]A:402 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12816 |
79.8 |
-4.8 |
0.761 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[PO4]D:403 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
12902 |
78.7 |
-4.9 |
0.568 |
0 |
0 |
0 |
0.013 |
45 |
56 |
|
[PO4]B:403 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
13117 |
78.6 |
-5.2 |
0.670 |
2 |
0 |
0 |
0.015 |
46 |
57 |
|
[PO4]C:403 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
12874 |
78.6 |
-5.3 |
0.609 |
1 |
0 |
0 |
0.022 |
47 |
58 |
|
[PO4]F:401 |
5 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
12691 |
77.1 |
-5.0 |
0.670 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
[PO4]B:405 |
5 |
1 |
188 |
f |
H |
x,y,z-1 |
1_554 |
12 |
4 |
12586 |
76.8 |
-4.7 |
0.713 |
1 |
0 |
0 |
0.031 |
49 |
60 |
|
E |
13 |
5 |
12528 |
f |
[PO4]F:403 |
x-1,y,z |
1_455 |
5 |
1 |
188 |
76.0 |
-5.4 |
0.637 |
1 |
0 |
0 |
0.014 |
50 |
61 |
|
[PO4]E:402 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
12528 |
75.9 |
-4.4 |
0.767 |
1 |
0 |
0 |
0.000 |
51 |
62 |
|
[PO4]F:401 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
12902 |
75.3 |
-4.9 |
0.615 |
1 |
0 |
0 |
0.014 |
52 |
63 |
|
[PO4]A:403 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
12 |
4 |
13040 |
75.2 |
-5.0 |
0.626 |
2 |
0 |
0 |
0.016 |
53 |
64 |
|
[PO4]B:401 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
13117 |
74.7 |
-4.5 |
0.738 |
2 |
0 |
0 |
0.013 |
54 |
65 |
|
[PO4]A:404 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12816 |
73.3 |
-4.2 |
0.829 |
1 |
0 |
0 |
0.000 |
55 |
66 |
|
[PO4]B:405 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
13117 |
72.0 |
-4.1 |
0.766 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[PO4]D:403 |
5 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
11 |
6 |
12691 |
70.8 |
-4.8 |
0.588 |
0 |
0 |
0 |
0.000 |
57 |
68 |
|
[PO4]A:403 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
12816 |
70.1 |
-4.6 |
0.703 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
[PO4]H:402 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
12586 |
70.1 |
-4.2 |
0.781 |
1 |
0 |
0 |
0.000 |
59 |
70 |
|
[PO4]H:403 |
5 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
12586 |
69.7 |
-4.6 |
0.630 |
1 |
0 |
0 |
0.000 |
60 |
71 |
|
[PO4]D:402 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
12691 |
69.6 |
-4.6 |
0.634 |
0 |
0 |
0 |
0.011 |
61 |
72 |
|
B |
9 |
4 |
13117 |
f |
[PO4]H:402 |
x,y,z-1 |
1_554 |
5 |
1 |
185 |
69.4 |
-4.7 |
0.519 |
0 |
0 |
0 |
0.011 |
62 |
73 |
|
[PO4]D:402 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
12902 |
69.3 |
-4.2 |
0.642 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[PO4]F:403 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
12691 |
68.5 |
-4.6 |
0.607 |
1 |
0 |
0 |
0.000 |
64 |
75 |
|
[PO4]E:402 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12874 |
68.4 |
-4.4 |
0.671 |
1 |
0 |
0 |
0.019 |
65 |
76 |
|
[PO4]C:402 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12874 |
68.1 |
-4.5 |
0.627 |
1 |
0 |
0 |
0.000 |
66 |
77 |
|
[PO4]A:402 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
13040 |
67.7 |
-4.6 |
0.647 |
1 |
0 |
0 |
0.014 |
67 |
78 |
|
[PO4]C:403 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
12528 |
67.0 |
-4.2 |
0.702 |
1 |
0 |
0 |
0.000 |
68 |
79 |
|
[PO4]A:404 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
13040 |
66.8 |
-4.3 |
0.710 |
1 |
0 |
0 |
0.013 |
69 |
80 |
|
[PO4]C:402 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
12528 |
66.6 |
-4.5 |
0.673 |
0 |
0 |
0 |
0.000 |
70 |
81 |
|
[PO4]B:401 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12816 |
65.0 |
-4.5 |
0.602 |
1 |
0 |
0 |
0.000 |
71 |
82 |
|
[PO4]E:405 |
4 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
13040 |
61.9 |
-4.1 |
0.600 |
1 |
0 |
0 |
0.000 |
72 |
83 |
|
B |
4 |
2 |
13117 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
13040 |
48.6 |
-0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
73 |
84 |
|
D |
9 |
4 |
12902 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
2 |
12874 |
46.9 |
-0.6 |
0.474 |
0 |
0 |
0 |
0.000 |
74 |
85 |
|
G |
3 |
2 |
13040 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
12874 |
46.7 |
1.0 |
0.804 |
0 |
0 |
0 |
0.000 |
75 |
86 |
|
B |
4 |
2 |
13117 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
12528 |
45.3 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
76 |
87 |
|
[PO4]C:404 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
12691 |
40.2 |
-2.3 |
0.701 |
0 |
0 |
0 |
0.000 |
77 |
88 |
|
[PO4]F:406 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12874 |
37.0 |
-1.4 |
0.886 |
1 |
0 |
0 |
0.000 |
78 |
89 |
|
[PO4]B:403 |
4 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
12528 |
36.1 |
-2.7 |
0.481 |
0 |
0 |
0 |
0.000 |
79 |
90 |
|
[PO4]E:403 |
3 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12816 |
25.6 |
-0.9 |
0.940 |
1 |
0 |
0 |
0.000 |
80 |
91 |
|
H |
1 |
1 |
12586 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12902 |
12.0 |
-0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
81 |
92 |
|
[PO4]E:402 |
1 |
1 |
187 |
f |
[PO4]C:402 |
x,y,z |
1_555 |
3 |
1 |
185 |
11.6 |
-1.2 |
0.891 |
0 |
0 |
0 |
0.000 |
82 |
93 |
|
[PO4]B:405 |
3 |
1 |
188 |
◊ |
[PO4]H:402 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
10.1 |
-1.1 |
0.891 |
0 |
0 |
0 |
0.000 |
83 |
94 |
|
[PO4]F:406 |
1 |
1 |
189 |
◊ |
[PO4]C:404 |
x,y,z |
1_555 |
3 |
1 |
186 |
9.7 |
-0.9 |
0.891 |
0 |
0 |
0 |
0.000 |
84 |
95 |
|
[PO4]D:403 |
2 |
1 |
189 |
◊ |
[PO4]D:402 |
x,y,z |
1_555 |
1 |
1 |
187 |
9.4 |
-1.0 |
0.876 |
0 |
0 |
0 |
0.000 |
85 |
96 |
|
[PO4]C:401 |
1 |
1 |
189 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
2 |
13040 |
7.5 |
-0.5 |
0.601 |
0 |
0 |
0 |
0.000 |
86 |
97 |
|
[PO4]C:403 |
3 |
1 |
187 |
f |
[PO4]C:402 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.8 |
-0.5 |
0.891 |
0 |
0 |
0 |
0.000 |
87 |
98 |
|
[PO4]A:404 |
1 |
1 |
187 |
f |
[PO4]A:403 |
x,y,z |
1_555 |
3 |
1 |
188 |
5.5 |
-0.4 |
0.891 |
0 |
0 |
0 |
0.001 |
88 |
99 |
|
[PO4]D:404 |
1 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12528 |
4.9 |
-0.3 |
0.608 |
0 |
0 |
0 |
0.000 |
89 |
100 |
|
[PO4]A:404 |
2 |
1 |
187 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
3 |
1 |
188 |
4.9 |
-0.4 |
0.976 |
0 |
0 |
0 |
0.001 |
90 |
101 |
|
[PO4]F:405 |
1 |
1 |
188 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
12902 |
3.1 |
-0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
91 |
102 |
|
[PO4]F:401 |
1 |
1 |
188 |
◊ |
[PO4]D:402 |
x,y,z |
1_555 |
1 |
1 |
187 |
0.5 |
-0.0 |
0.800 |
0 |
0 |
0 |
0.000 |
92 |
103 |
|
A |
1 |
1 |
12816 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
13040 |
0.1 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
|