## |
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 |
|
A |
90 |
25 |
25574 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
80 |
26 |
25574 |
769.8 |
1.9 |
0.682 |
7 |
2 |
0 |
0.000 |
2 |
2 |
|
A |
34 |
9 |
25574 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
25 |
8 |
25574 |
268.2 |
1.1 |
0.692 |
6 |
8 |
0 |
0.000 |
3 |
3 |
|
A |
27 |
11 |
25574 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
23 |
9 |
25574 |
204.8 |
0.3 |
0.551 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
[BGC]A:802 |
10 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
25574 |
162.4 |
3.1 |
0.379 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
[GLC]A:801 |
12 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
25574 |
154.5 |
1.3 |
0.214 |
3 |
0 |
0 |
0.000 |
6 |
6 |
|
[BGC]A:805 |
12 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
25574 |
149.0 |
3.2 |
0.515 |
5 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
18 |
8 |
25574 |
x |
A |
x-1,y,z |
1_455 |
13 |
6 |
25574 |
144.1 |
0.4 |
0.611 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
[BGC]A:815 |
10 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
25574 |
134.2 |
2.2 |
0.231 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
[BGC]A:803 |
11 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
25574 |
133.5 |
2.7 |
0.330 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:840 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
25574 |
124.0 |
3.3 |
0.432 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[BGC]A:804 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
25574 |
118.5 |
2.0 |
0.288 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[BGC]A:814 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
25574 |
113.5 |
1.1 |
0.216 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:829 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
25574 |
112.9 |
4.0 |
0.573 |
4 |
0 |
0 |
0.000 |
14 |
14 |
|
[PO4]A:817 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
25574 |
111.8 |
-8.8 |
0.446 |
3 |
0 |
0 |
0.036 |
15 |
15 |
|
[BGC]A:808 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
25574 |
111.6 |
1.9 |
0.308 |
3 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]A:842 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
25574 |
110.8 |
2.3 |
0.198 |
2 |
0 |
0 |
0.000 |
17 |
17 |
|
[PO4]A:818 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
25574 |
110.2 |
-6.6 |
0.740 |
4 |
0 |
0 |
0.030 |
18 |
18 |
|
[BGC]A:809 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
25574 |
107.5 |
1.3 |
0.270 |
2 |
0 |
0 |
0.000 |
19 |
19 |
|
[PO4]A:822 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
25574 |
106.5 |
-6.2 |
0.712 |
2 |
0 |
0 |
0.025 |
20 |
20 |
|
[EDO]A:838 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
25574 |
105.8 |
4.0 |
0.495 |
1 |
0 |
0 |
0.000 |
21 |
21 |
|
[BGC]A:810 |
9 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
25574 |
103.4 |
1.6 |
0.341 |
4 |
0 |
0 |
0.000 |
22 |
22 |
|
[EDO]A:832 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
25574 |
102.6 |
3.1 |
0.457 |
5 |
0 |
0 |
0.000 |
23 |
23 |
|
[EDO]A:828 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
25574 |
100.6 |
3.1 |
0.428 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[PO4]A:825 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
25574 |
98.1 |
-6.0 |
0.747 |
2 |
0 |
0 |
0.025 |
25 |
25 |
|
[EDO]A:839 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
25574 |
97.5 |
2.4 |
0.347 |
1 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]A:841 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
25574 |
97.3 |
3.0 |
0.332 |
1 |
0 |
0 |
0.000 |
27 |
27 |
|
[PO4]A:816 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
25574 |
96.6 |
-5.5 |
0.877 |
3 |
0 |
0 |
0.024 |
28 |
28 |
|
[EDO]A:837 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
25574 |
94.0 |
3.4 |
0.471 |
1 |
0 |
0 |
0.000 |
29 |
29 |
|
[PO4]A:819 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
25574 |
93.5 |
-4.5 |
0.937 |
2 |
0 |
0 |
0.019 |
30 |
30 |
|
[PO4]A:820 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
25574 |
93.0 |
-6.0 |
0.793 |
4 |
0 |
0 |
0.028 |
31 |
31 |
|
[BGC]A:807 |
6 |
1 |
297 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
25574 |
91.1 |
1.2 |
0.336 |
2 |
0 |
0 |
0.000 |
32 |
32 |
|
[EDO]A:833 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
25574 |
90.5 |
2.7 |
0.296 |
4 |
0 |
0 |
0.000 |
33 |
33 |
|
[PO4]A:827 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
25574 |
88.5 |
-5.3 |
0.713 |
2 |
0 |
0 |
0.022 |
34 |
34 |
|
[EDO]A:843 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
25574 |
85.9 |
2.5 |
0.284 |
3 |
0 |
0 |
0.000 |
35 |
35 |
|
A |
13 |
4 |
25574 |
◊ |
[BGC]A:812 |
-x-1,y-1/2,-z-1/2 |
3_444 |
7 |
1 |
295 |
85.7 |
1.4 |
0.329 |
0 |
0 |
0 |
0.000 |
36 |
36 |
|
A |
15 |
4 |
25574 |
◊ |
[BGC]A:811 |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
1 |
297 |
84.2 |
0.9 |
0.182 |
0 |
0 |
0 |
0.000 |
37 |
37 |
|
[EDO]A:844 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
25574 |
82.6 |
2.1 |
0.274 |
4 |
0 |
0 |
0.000 |
38 |
38 |
|
[EDO]A:834 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
25574 |
81.4 |
1.8 |
0.247 |
2 |
0 |
0 |
0.000 |
39 |
39 |
|
[PO4]A:821 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
25574 |
79.4 |
-4.2 |
0.837 |
2 |
0 |
0 |
0.018 |
40 |
40 |
|
[PO4]A:826 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
25574 |
75.6 |
-5.3 |
0.423 |
2 |
0 |
0 |
0.022 |
41 |
41 |
|
[EDO]A:836 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
25574 |
75.5 |
1.9 |
0.259 |
3 |
0 |
0 |
0.000 |
42 |
42 |
|
[EDO]A:830 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
25574 |
73.7 |
2.5 |
0.281 |
1 |
0 |
0 |
0.000 |
43 |
43 |
|
[EDO]A:835 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
25574 |
71.3 |
2.8 |
0.922 |
1 |
0 |
0 |
0.000 |
44 |
44 |
|
[EDO]A:831 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
25574 |
68.1 |
4.1 |
0.697 |
0 |
0 |
0 |
0.000 |
45 |
45 |
|
[BGC]A:811 |
7 |
1 |
297 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
25574 |
65.6 |
1.2 |
0.291 |
0 |
0 |
0 |
0.000 |
46 |
46 |
|
[BGC]A:808 |
6 |
1 |
296 |
cf |
[BGC]A:807 |
x,y,z |
1_555 |
6 |
1 |
297 |
63.5 |
1.3 |
0.114 |
1 |
0 |
0 |
0.000 |
47 |
|
[BGC]A:805 |
6 |
1 |
307 |
cf |
[BGC]A:804 |
x,y,z |
1_555 |
5 |
1 |
296 |
54.8 |
1.0 |
0.147 |
1 |
0 |
0 |
0.000 |
Average: |
59.2 |
1.2 |
0.131 |
1 |
0 |
0 |
0.000 |
47 |
48 |
|
[PO4]A:824 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
25574 |
62.8 |
-3.4 |
0.742 |
1 |
0 |
0 |
0.014 |
48 |
49 |
|
A |
11 |
3 |
25574 |
◊ |
[BGC]A:810 |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
1 |
294 |
61.5 |
0.6 |
0.194 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[BGC]A:812 |
7 |
1 |
295 |
cf |
[BGC]A:811 |
x,y,z |
1_555 |
4 |
1 |
297 |
61.3 |
1.3 |
0.136 |
0 |
0 |
0 |
0.000 |
51 |
|
[BGC]A:810 |
7 |
1 |
294 |
cf |
[BGC]A:809 |
x,y,z |
1_555 |
5 |
1 |
296 |
47.3 |
1.0 |
0.134 |
0 |
0 |
0 |
0.000 |
Average: |
54.3 |
1.2 |
0.135 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[PO4]A:823 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
25574 |
60.8 |
-3.7 |
0.767 |
0 |
0 |
0 |
0.013 |
51 |
53 |
|
[BGC]A:813 |
8 |
1 |
300 |
cf |
[BGC]A:812 |
x,y,z |
1_555 |
5 |
1 |
295 |
59.9 |
1.7 |
0.153 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[BGC]A:814 |
6 |
1 |
296 |
cf |
[BGC]A:813 |
x,y,z |
1_555 |
5 |
1 |
300 |
59.5 |
1.7 |
0.176 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
[BGC]A:815 |
4 |
1 |
293 |
cf |
[BGC]A:814 |
x,y,z |
1_555 |
5 |
1 |
296 |
58.8 |
1.8 |
0.218 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[BGC]A:813 |
6 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
25574 |
58.3 |
0.3 |
0.241 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
[EDO]A:831 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
25574 |
57.5 |
1.3 |
0.822 |
2 |
0 |
0 |
0.000 |
56 |
58 |
|
[BGC]A:809 |
7 |
1 |
296 |
cf |
[BGC]A:808 |
x,y,z |
1_555 |
5 |
1 |
296 |
57.0 |
1.1 |
0.136 |
1 |
0 |
0 |
0.000 |
57 |
59 |
|
[BGC]A:803 |
7 |
1 |
308 |
cf |
[BGC]A:802 |
x,y,z |
1_555 |
5 |
1 |
285 |
56.7 |
1.4 |
0.136 |
0 |
0 |
0 |
0.000 |
58 |
60 |
|
[BGC]A:807 |
6 |
1 |
297 |
cf |
[BGC]A:806 |
x,y,z |
1_555 |
5 |
1 |
306 |
56.2 |
1.9 |
0.173 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[BGC]A:811 |
6 |
1 |
297 |
cf |
[BGC]A:810 |
x,y,z |
1_555 |
5 |
1 |
294 |
53.1 |
1.4 |
0.143 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
A |
5 |
1 |
25574 |
◊ |
[BGC]A:806 |
-x-1,y-1/2,-z-1/2 |
3_444 |
7 |
1 |
306 |
50.9 |
0.9 |
0.246 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[PO4]A:825 |
4 |
1 |
188 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
2 |
25574 |
47.7 |
-2.3 |
0.779 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
[BGC]A:802 |
7 |
1 |
285 |
cf |
[GLC]A:801 |
x,y,z |
1_555 |
6 |
1 |
299 |
43.9 |
1.5 |
0.137 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[EDO]A:828 |
2 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
25574 |
43.0 |
0.6 |
0.141 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[BGC]A:805 |
4 |
1 |
307 |
f |
[GLC]A:801 |
x,y,z |
1_555 |
6 |
1 |
299 |
39.6 |
1.1 |
0.188 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[PO4]A:823 |
4 |
1 |
189 |
f |
[BGC]A:814 |
x,y,z |
1_555 |
4 |
1 |
296 |
39.1 |
-1.1 |
0.553 |
2 |
0 |
0 |
0.007 |
66 |
68 |
|
[EDO]A:831 |
4 |
1 |
184 |
f |
[PO4]A:816 |
x,y,z |
1_555 |
4 |
1 |
189 |
39.1 |
-0.9 |
0.986 |
1 |
0 |
0 |
0.005 |
67 |
69 |
|
[EDO]A:836 |
4 |
1 |
184 |
◊ |
[BGC]A:809 |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
1 |
296 |
36.2 |
1.7 |
0.389 |
0 |
0 |
0 |
0.000 |
68 |
70 |
|
[EDO]A:830 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
25574 |
36.1 |
1.1 |
0.559 |
0 |
0 |
0 |
0.000 |
69 |
71 |
|
[PO4]A:823 |
4 |
1 |
189 |
f |
[BGC]A:804 |
x,y,z |
1_555 |
3 |
1 |
296 |
33.8 |
-0.9 |
0.571 |
0 |
0 |
0 |
0.003 |
70 |
72 |
|
[EDO]A:836 |
3 |
1 |
184 |
◊ |
[BGC]A:810 |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
1 |
294 |
33.6 |
1.3 |
0.437 |
0 |
0 |
0 |
0.000 |
71 |
73 |
|
[EDO]A:833 |
2 |
1 |
182 |
f |
[PO4]A:826 |
x,y,z |
1_555 |
3 |
1 |
188 |
33.3 |
-0.4 |
0.704 |
0 |
0 |
0 |
0.001 |
72 |
74 |
|
[PO4]A:823 |
4 |
1 |
189 |
f |
[BGC]A:805 |
x,y,z |
1_555 |
4 |
1 |
307 |
31.1 |
-1.4 |
0.415 |
0 |
0 |
0 |
0.005 |
73 |
75 |
|
[EDO]A:842 |
1 |
1 |
185 |
f |
[PO4]A:827 |
x,y,z |
1_555 |
4 |
1 |
187 |
23.6 |
-0.6 |
0.999 |
2 |
0 |
0 |
0.005 |
74 |
76 |
|
[PO4]A:816 |
1 |
1 |
189 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
25574 |
16.0 |
-1.1 |
0.540 |
0 |
0 |
0 |
0.000 |
75 |
77 |
|
[PO4]A:822 |
3 |
1 |
188 |
f |
[PO4]A:817 |
x,y,z |
1_555 |
3 |
1 |
188 |
15.4 |
-1.5 |
0.992 |
0 |
0 |
0 |
0.005 |
76 |
78 |
|
[EDO]A:833 |
1 |
1 |
182 |
f |
[BGC]A:809 |
x,y,z |
1_555 |
4 |
1 |
296 |
14.6 |
0.4 |
0.347 |
0 |
0 |
0 |
0.000 |
77 |
79 |
|
[EDO]A:833 |
2 |
1 |
182 |
f |
[BGC]A:808 |
x,y,z |
1_555 |
3 |
1 |
296 |
14.3 |
-0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
78 |
80 |
|
A |
1 |
1 |
25574 |
◊ |
[BGC]A:813 |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
300 |
11.5 |
0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
79 |
81 |
|
A |
1 |
1 |
25574 |
◊ |
[BGC]A:809 |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
296 |
10.9 |
0.2 |
0.424 |
0 |
0 |
0 |
0.000 |
80 |
82 |
|
[PO4]A:825 |
1 |
1 |
188 |
◊ |
[BGC]A:811 |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
297 |
10.3 |
-0.4 |
0.460 |
0 |
0 |
0 |
0.000 |
81 |
83 |
|
[EDO]A:837 |
2 |
1 |
184 |
f |
[PO4]A:827 |
x,y,z |
1_555 |
1 |
1 |
187 |
9.0 |
-0.3 |
0.894 |
0 |
0 |
0 |
0.001 |
82 |
84 |
|
[EDO]A:836 |
1 |
1 |
184 |
◊ |
[BGC]A:808 |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
296 |
8.8 |
0.5 |
0.439 |
0 |
0 |
0 |
0.000 |
83 |
85 |
|
[EDO]A:842 |
2 |
1 |
185 |
f |
[EDO]A:837 |
x,y,z |
1_555 |
2 |
1 |
184 |
8.7 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
84 |
86 |
|
[BGC]A:803 |
2 |
1 |
308 |
f |
[GLC]A:801 |
x,y,z |
1_555 |
1 |
1 |
299 |
7.4 |
0.2 |
0.210 |
0 |
0 |
0 |
0.000 |
85 |
87 |
|
[BGC]A:815 |
2 |
1 |
293 |
f |
[BGC]A:813 |
x,y,z |
1_555 |
1 |
1 |
300 |
5.0 |
0.2 |
0.219 |
0 |
0 |
0 |
0.000 |
86 |
88 |
|
[BGC]A:809 |
1 |
1 |
296 |
f |
[BGC]A:804 |
x,y,z |
1_555 |
1 |
1 |
296 |
4.1 |
0.3 |
0.182 |
0 |
0 |
0 |
0.000 |
87 |
89 |
|
[EDO]A:828 |
1 |
1 |
185 |
f |
[EDO]A:839 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
184 |
3.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
88 |
90 |
|
[BGC]A:814 |
1 |
1 |
296 |
f |
[BGC]A:812 |
x,y,z |
1_555 |
1 |
1 |
295 |
3.3 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
89 |
91 |
|
A |
1 |
1 |
25574 |
◊ |
[PO4]A:826 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
188 |
2.7 |
-0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
90 |
92 |
|
[BGC]A:813 |
1 |
1 |
300 |
f |
[BGC]A:811 |
x,y,z |
1_555 |
1 |
1 |
297 |
2.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
91 |
93 |
|
[BGC]A:811 |
1 |
1 |
297 |
f |
[BGC]A:809 |
x,y,z |
1_555 |
1 |
1 |
296 |
2.0 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
92 |
94 |
|
[BGC]A:812 |
1 |
1 |
295 |
f |
[BGC]A:810 |
x,y,z |
1_555 |
1 |
1 |
294 |
1.3 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
93 |
95 |
|
[EDO]A:836 |
2 |
1 |
184 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
25574 |
1.3 |
-0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
94 |
96 |
|
[BGC]A:810 |
1 |
1 |
294 |
f |
[BGC]A:808 |
x,y,z |
1_555 |
1 |
1 |
296 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
95 |
97 |
|
A |
2 |
1 |
25574 |
◊ |
[BGC]A:807 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
297 |
0.9 |
0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
96 |
98 |
|
[PO4]A:823 |
1 |
1 |
189 |
f |
[BGC]A:802 |
x,y,z |
1_555 |
1 |
1 |
285 |
0.7 |
-0.0 |
0.400 |
0 |
0 |
0 |
0.000 |
97 |
99 |
|
[BGC]A:808 |
1 |
1 |
296 |
f |
[BGC]A:806 |
x,y,z |
1_555 |
1 |
1 |
306 |
0.6 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
98 |
100 |
|
[EDO]A:836 |
1 |
1 |
184 |
◊ |
[BGC]A:811 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
297 |
0.5 |
0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
|