## |
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 |
|
C |
113 |
35 |
18203 |
◊ |
B |
x,y,z |
1_555 |
100 |
29 |
18563 |
953.7 |
-9.0 |
0.233 |
1 |
1 |
0 |
0.049 |
2 |
|
D |
104 |
31 |
18346 |
◊ |
A |
x,y,z |
1_555 |
110 |
35 |
18158 |
946.3 |
-9.5 |
0.219 |
4 |
2 |
0 |
0.049 |
Average: |
950.0 |
-9.3 |
0.226 |
3 |
2 |
0 |
0.049 |
2 |
3 |
|
D |
72 |
23 |
18346 |
◊ |
C |
x,y,z |
1_555 |
77 |
23 |
18203 |
645.1 |
-12.6 |
0.029 |
1 |
0 |
0 |
0.058 |
4 |
|
B |
71 |
24 |
18563 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
18158 |
639.5 |
-11.4 |
0.043 |
2 |
0 |
0 |
0.058 |
Average: |
642.3 |
-12.0 |
0.036 |
2 |
0 |
0 |
0.058 |
3 |
5 |
|
C |
54 |
19 |
18203 |
◊ |
A |
x,y-1,z |
1_545 |
50 |
18 |
18158 |
520.3 |
-0.5 |
0.709 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
45 |
18 |
18346 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
47 |
18 |
18563 |
432.2 |
-6.0 |
0.174 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
37 |
13 |
18203 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
14 |
18563 |
350.4 |
-5.2 |
0.158 |
2 |
0 |
0 |
0.003 |
8 |
|
D |
40 |
14 |
18346 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
36 |
13 |
18158 |
348.5 |
-5.3 |
0.140 |
2 |
0 |
0 |
0.003 |
Average: |
349.4 |
-5.3 |
0.149 |
2 |
0 |
0 |
0.003 |
6 |
9 |
|
[IFM]D:512 |
10 |
1 |
288 |
◊ |
D |
x,y,z |
1_555 |
34 |
15 |
18346 |
184.8 |
4.4 |
0.489 |
4 |
0 |
0 |
0.000 |
10 |
|
[IFM]B:517 |
10 |
1 |
286 |
◊ |
B |
x,y,z |
1_555 |
32 |
15 |
18563 |
182.1 |
4.6 |
0.546 |
4 |
0 |
0 |
0.000 |
Average: |
183.4 |
4.5 |
0.518 |
4 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
17 |
5 |
18346 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
5 |
18158 |
167.4 |
0.7 |
0.762 |
3 |
0 |
0 |
0.000 |
12 |
|
C |
15 |
5 |
18203 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
5 |
18563 |
166.1 |
0.6 |
0.747 |
3 |
0 |
0 |
0.000 |
Average: |
166.8 |
0.7 |
0.754 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
D |
18 |
5 |
18346 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
18563 |
160.5 |
-0.3 |
0.630 |
2 |
0 |
0 |
0.003 |
9 |
14 |
|
[GOL]A:517 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
18158 |
143.4 |
-0.6 |
0.576 |
8 |
0 |
0 |
0.009 |
10 |
15 |
|
[GOL]B:518 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
18563 |
142.7 |
-1.1 |
0.498 |
5 |
0 |
0 |
0.008 |
11 |
16 |
|
[GOL]A:518 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
18158 |
142.2 |
-0.6 |
0.523 |
3 |
0 |
0 |
0.004 |
12 |
17 |
|
[GOL]C:514 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
18203 |
137.1 |
-0.0 |
0.608 |
6 |
0 |
0 |
0.006 |
13 |
18 |
|
[NAG]D:511 |
11 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
16 |
6 |
18346 |
132.0 |
3.3 |
0.410 |
1 |
0 |
0 |
0.000 |
19 |
|
[NAG]B:516 |
11 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
18563 |
127.0 |
3.2 |
0.417 |
1 |
0 |
0 |
0.000 |
20 |
|
[NAG]C:513 |
11 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
17 |
7 |
18203 |
118.9 |
3.0 |
0.358 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]A:516 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
13 |
5 |
18158 |
114.1 |
2.8 |
0.340 |
0 |
0 |
0 |
0.000 |
Average: |
123.0 |
3.1 |
0.381 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[GOL]B:519 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
18563 |
118.7 |
-0.8 |
0.454 |
1 |
0 |
0 |
0.003 |
15 |
23 |
|
[PO4]B:502 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18563 |
117.1 |
-7.0 |
0.735 |
2 |
0 |
0 |
0.018 |
16 |
24 |
|
[PO4]A:509 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
18158 |
116.8 |
-7.8 |
0.648 |
1 |
0 |
0 |
0.019 |
17 |
25 |
|
[PO4]A:503 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
18158 |
111.8 |
-7.2 |
0.686 |
2 |
0 |
0 |
0.019 |
18 |
26 |
|
[PO4]C:502 |
5 |
1 |
191 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
18203 |
111.6 |
-7.0 |
0.732 |
2 |
0 |
0 |
0.018 |
19 |
27 |
|
[PO4]D:501 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
18346 |
110.8 |
-6.2 |
0.802 |
2 |
0 |
0 |
0.016 |
20 |
28 |
|
[PO4]D:498 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
18346 |
107.7 |
-7.3 |
0.668 |
4 |
0 |
0 |
0.021 |
21 |
29 |
|
[PO4]B:498 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
18563 |
107.0 |
-6.1 |
0.807 |
5 |
0 |
0 |
0.019 |
22 |
30 |
|
[PO4]C:498 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
18203 |
105.1 |
-7.1 |
0.678 |
5 |
0 |
0 |
0.021 |
23 |
31 |
|
[PO4]A:498 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18158 |
105.0 |
-7.0 |
0.674 |
7 |
0 |
0 |
0.023 |
24 |
32 |
|
[PO4]D:510 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
18346 |
99.7 |
-5.9 |
0.785 |
1 |
0 |
0 |
0.015 |
25 |
33 |
|
[PO4]B:503 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
18563 |
96.7 |
-6.0 |
0.809 |
5 |
0 |
0 |
0.019 |
26 |
34 |
|
[PO4]A:514 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18158 |
96.6 |
-5.9 |
0.849 |
5 |
0 |
0 |
0.019 |
27 |
35 |
|
[PO4]C:501 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
18203 |
96.1 |
-5.4 |
0.878 |
5 |
0 |
0 |
0.017 |
28 |
36 |
|
[PO4]A:500 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
18158 |
95.5 |
-5.4 |
0.871 |
5 |
0 |
0 |
0.017 |
29 |
37 |
|
[PO4]B:506 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18563 |
94.5 |
-6.7 |
0.627 |
6 |
0 |
0 |
0.022 |
30 |
38 |
|
[PO4]C:503 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
18203 |
94.4 |
-5.5 |
0.861 |
5 |
0 |
0 |
0.018 |
31 |
39 |
|
[PO4]B:500 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18563 |
93.7 |
-5.2 |
0.893 |
5 |
0 |
0 |
0.017 |
32 |
40 |
|
[PO4]D:500 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
18346 |
92.4 |
-5.2 |
0.874 |
6 |
0 |
0 |
0.018 |
33 |
41 |
|
[PO4]C:506 |
5 |
1 |
191 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
18203 |
92.0 |
-5.5 |
0.864 |
2 |
0 |
0 |
0.015 |
34 |
42 |
|
[PO4]B:507 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
18563 |
91.7 |
-4.5 |
0.910 |
3 |
0 |
0 |
0.013 |
35 |
43 |
|
[PO4]B:512 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18563 |
91.4 |
-6.2 |
0.675 |
2 |
0 |
0 |
0.016 |
36 |
44 |
|
[PO4]C:511 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
18203 |
90.7 |
-6.1 |
0.636 |
2 |
0 |
0 |
0.016 |
37 |
45 |
|
[PO4]D:509 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
18346 |
88.5 |
-4.4 |
0.909 |
2 |
0 |
0 |
0.012 |
38 |
46 |
|
[PO4]A:505 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
18158 |
88.3 |
-5.9 |
0.640 |
1 |
0 |
0 |
0.015 |
39 |
47 |
|
[PO4]C:508 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
18203 |
88.0 |
-4.3 |
0.908 |
2 |
0 |
0 |
0.012 |
40 |
48 |
|
[PO4]C:504 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
18203 |
87.2 |
-5.2 |
0.767 |
3 |
0 |
0 |
0.015 |
41 |
49 |
|
[PO4]B:501 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
18563 |
87.0 |
-4.9 |
0.793 |
1 |
0 |
0 |
0.012 |
42 |
50 |
|
[PO4]D:508 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
18346 |
86.3 |
-5.6 |
0.606 |
1 |
0 |
0 |
0.014 |
43 |
51 |
|
[PO4]D:502 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
18346 |
86.1 |
-4.6 |
0.840 |
1 |
0 |
0 |
0.012 |
44 |
52 |
|
[PO4]A:510 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
18158 |
85.7 |
-4.1 |
0.905 |
2 |
0 |
0 |
0.012 |
45 |
53 |
|
[PO4]B:509 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
18563 |
85.6 |
-5.6 |
0.638 |
1 |
0 |
0 |
0.014 |
46 |
54 |
|
[PO4]A:501 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18158 |
85.5 |
-5.2 |
0.749 |
1 |
0 |
0 |
0.013 |
47 |
55 |
|
[PO4]B:505 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
18563 |
84.9 |
-4.5 |
0.869 |
1 |
0 |
0 |
0.011 |
48 |
56 |
|
[PO4]D:503 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
18346 |
84.7 |
-5.6 |
0.687 |
1 |
0 |
0 |
0.014 |
49 |
57 |
|
[PO4]C:512 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
18203 |
84.6 |
-3.8 |
0.923 |
3 |
0 |
0 |
0.012 |
50 |
58 |
|
[PO4]C:500 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
18203 |
82.7 |
-4.7 |
0.750 |
3 |
0 |
0 |
0.014 |
51 |
59 |
|
[PO4]A:506 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
18158 |
82.1 |
-3.9 |
0.912 |
3 |
0 |
0 |
0.012 |
52 |
60 |
|
[PO4]C:510 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18203 |
81.5 |
-5.3 |
0.529 |
0 |
0 |
0 |
0.012 |
53 |
61 |
|
[PO4]A:504 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18158 |
80.7 |
-5.1 |
0.550 |
0 |
0 |
0 |
0.012 |
54 |
62 |
|
[PO4]D:504 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
18346 |
80.6 |
-4.4 |
0.871 |
1 |
0 |
0 |
0.011 |
55 |
63 |
|
[PO4]B:499 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18563 |
80.3 |
-5.0 |
0.744 |
3 |
0 |
0 |
0.015 |
56 |
64 |
|
[PO4]B:511 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
18563 |
79.4 |
-4.1 |
0.836 |
1 |
0 |
0 |
0.010 |
57 |
65 |
|
[PO4]D:499 |
5 |
1 |
190 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
18346 |
78.4 |
-5.2 |
0.658 |
2 |
0 |
0 |
0.014 |
58 |
66 |
|
[PO4]D:505 |
4 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
18346 |
77.4 |
-5.2 |
0.600 |
1 |
0 |
0 |
0.013 |
59 |
67 |
|
[PO4]B:515 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18563 |
77.3 |
-4.1 |
0.860 |
2 |
0 |
0 |
0.011 |
60 |
68 |
|
[PO4]A:513 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
18158 |
77.0 |
-5.1 |
0.655 |
1 |
0 |
0 |
0.013 |
61 |
69 |
|
[PO4]D:506 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
18346 |
76.9 |
-4.7 |
0.758 |
2 |
0 |
0 |
0.013 |
62 |
70 |
|
[PO4]B:510 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
18563 |
76.8 |
-4.6 |
0.794 |
3 |
0 |
0 |
0.014 |
63 |
71 |
|
[PO4]A:515 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18158 |
76.8 |
-4.4 |
0.747 |
3 |
0 |
0 |
0.013 |
64 |
72 |
|
D |
9 |
2 |
18346 |
f |
[PO4]A:508 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
189 |
74.8 |
-4.0 |
0.860 |
1 |
0 |
0 |
0.010 |
65 |
73 |
|
[PO4]B:504 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18563 |
74.2 |
-4.9 |
0.625 |
1 |
0 |
0 |
0.012 |
66 |
74 |
|
[PO4]A:502 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18158 |
66.7 |
-3.3 |
0.916 |
4 |
0 |
0 |
0.012 |
67 |
75 |
|
[PO4]B:513 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
18563 |
66.2 |
-3.3 |
0.900 |
2 |
0 |
0 |
0.010 |
68 |
76 |
|
A |
6 |
3 |
18158 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
18158 |
66.0 |
-1.1 |
0.221 |
0 |
0 |
0 |
0.000 |
77 |
|
C |
8 |
2 |
18203 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
18203 |
65.4 |
-1.1 |
0.222 |
0 |
0 |
0 |
0.000 |
Average: |
65.7 |
-1.1 |
0.221 |
0 |
0 |
0 |
0.000 |
69 |
78 |
|
[PO4]C:509 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
18203 |
65.7 |
-3.1 |
0.906 |
2 |
0 |
0 |
0.009 |
70 |
79 |
|
[PO4]B:514 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
18563 |
65.7 |
-3.3 |
0.836 |
2 |
0 |
0 |
0.010 |
71 |
80 |
|
[PO4]C:505 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
18203 |
65.0 |
-4.1 |
0.728 |
1 |
0 |
0 |
0.010 |
72 |
81 |
|
D |
7 |
3 |
18346 |
f |
[PO4]A:512 |
x,y-1,z |
1_545 |
4 |
1 |
189 |
63.6 |
-2.9 |
0.902 |
2 |
0 |
0 |
0.009 |
73 |
82 |
|
[PO4]D:507 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
18346 |
62.7 |
-3.1 |
0.872 |
2 |
0 |
0 |
0.009 |
74 |
83 |
|
[PO4]A:499 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18158 |
61.2 |
-3.1 |
0.880 |
1 |
0 |
0 |
0.008 |
75 |
84 |
|
[PO4]C:499 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
18203 |
60.8 |
-3.3 |
0.834 |
2 |
0 |
0 |
0.010 |
76 |
85 |
|
C |
10 |
4 |
18203 |
◊ |
[PO4]B:511 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
189 |
59.4 |
-4.0 |
0.582 |
0 |
0 |
0 |
0.002 |
77 |
86 |
|
D |
7 |
3 |
18346 |
f |
[PO4]A:507 |
x,y-1,z |
1_545 |
5 |
1 |
188 |
57.8 |
-2.7 |
0.898 |
2 |
0 |
0 |
0.008 |
78 |
87 |
|
[PO4]A:512 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18158 |
57.1 |
-2.5 |
0.934 |
2 |
0 |
0 |
0.000 |
79 |
88 |
|
[PO4]A:508 |
5 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
18158 |
56.0 |
-3.7 |
0.584 |
0 |
0 |
0 |
0.000 |
80 |
89 |
|
[PO4]A:511 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18158 |
54.9 |
-2.4 |
0.911 |
1 |
0 |
0 |
0.006 |
81 |
90 |
|
[PO4]C:507 |
4 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
18203 |
54.9 |
-2.5 |
0.878 |
1 |
0 |
0 |
0.007 |
82 |
91 |
|
C |
8 |
3 |
18203 |
f |
[PO4]B:508 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
187 |
53.9 |
-3.2 |
0.621 |
0 |
0 |
0 |
0.007 |
83 |
92 |
|
D |
11 |
5 |
18346 |
◊ |
[GOL]B:519 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
224 |
53.1 |
-0.4 |
0.453 |
0 |
0 |
0 |
0.000 |
84 |
93 |
|
C |
3 |
2 |
18203 |
◊ |
[PO4]B:513 |
x,y-1,z |
1_545 |
4 |
1 |
188 |
52.6 |
-2.3 |
0.936 |
1 |
0 |
0 |
0.000 |
85 |
94 |
|
[PO4]B:508 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
18563 |
51.1 |
-1.7 |
0.939 |
1 |
0 |
0 |
0.001 |
86 |
95 |
|
C |
6 |
3 |
18203 |
◊ |
[PO4]A:499 |
x,y-1,z |
1_545 |
4 |
1 |
189 |
47.0 |
-2.1 |
0.923 |
1 |
0 |
0 |
0.000 |
87 |
96 |
|
[PO4]C:499 |
4 |
1 |
189 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
18158 |
45.9 |
-2.1 |
0.906 |
2 |
0 |
0 |
0.000 |
88 |
97 |
|
[PO4]A:515 |
4 |
1 |
189 |
f |
[PO4]A:509 |
x,y,z |
1_555 |
3 |
1 |
188 |
31.4 |
-2.9 |
0.934 |
0 |
0 |
0 |
0.007 |
89 |
98 |
|
[GOL]B:519 |
3 |
1 |
224 |
f |
[GOL]B:518 |
x,y,z |
1_555 |
2 |
1 |
218 |
31.3 |
-0.5 |
0.465 |
0 |
0 |
0 |
0.001 |
90 |
99 |
|
[PO4]D:498 |
1 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18203 |
23.8 |
-1.5 |
0.539 |
0 |
0 |
0 |
0.003 |
91 |
100 |
|
[PO4]A:507 |
2 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18158 |
20.0 |
-1.1 |
0.793 |
0 |
0 |
0 |
0.000 |
92 |
101 |
|
[PO4]C:510 |
3 |
1 |
190 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
18563 |
17.8 |
-0.6 |
0.887 |
0 |
0 |
0 |
0.000 |
93 |
102 |
|
D |
2 |
2 |
18346 |
◊ |
[PO4]A:504 |
x,y-1,z |
1_545 |
3 |
1 |
189 |
17.8 |
-0.4 |
0.970 |
0 |
0 |
0 |
0.000 |
94 |
103 |
|
[PO4]D:507 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18203 |
17.1 |
-1.1 |
0.345 |
0 |
0 |
0 |
0.003 |
95 |
104 |
|
C |
3 |
1 |
18203 |
◊ |
[PO4]B:506 |
x,y-1,z |
1_545 |
1 |
1 |
188 |
14.3 |
-0.7 |
0.772 |
0 |
0 |
0 |
0.000 |
96 |
105 |
|
[PO4]B:498 |
1 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
18158 |
12.7 |
-0.9 |
0.601 |
0 |
0 |
0 |
0.002 |
97 |
106 |
|
[PO4]C:498 |
1 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18346 |
8.1 |
-0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
98 |
107 |
|
[PO4]B:514 |
3 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18158 |
7.5 |
-0.4 |
0.735 |
0 |
0 |
0 |
0.000 |
99 |
108 |
|
[PO4]A:498 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18563 |
7.4 |
-0.4 |
0.637 |
0 |
0 |
0 |
0.001 |
100 |
109 |
|
[PO4]B:514 |
1 |
1 |
189 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
1 |
1 |
189 |
5.0 |
-0.5 |
0.800 |
0 |
0 |
0 |
0.001 |
101 |
110 |
|
[PO4]A:502 |
1 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18563 |
4.5 |
-0.3 |
0.614 |
0 |
0 |
0 |
0.000 |
102 |
111 |
|
[PO4]C:509 |
1 |
1 |
189 |
f |
[PO4]C:500 |
x,y,z |
1_555 |
1 |
1 |
189 |
3.7 |
-0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
103 |
112 |
|
[NAG]A:516 |
3 |
1 |
359 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
18158 |
2.6 |
0.1 |
0.345 |
0 |
0 |
0 |
0.000 |
104 |
113 |
|
[IFM]B:517 |
1 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18158 |
2.5 |
-0.0 |
0.201 |
0 |
0 |
0 |
0.000 |
114 |
|
[IFM]D:512 |
1 |
1 |
288 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
18203 |
1.5 |
-0.0 |
0.214 |
0 |
0 |
0 |
0.000 |
Average: |
2.0 |
-0.0 |
0.208 |
0 |
0 |
0 |
0.000 |
|