## |
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 |
232 |
66 |
13646 |
◊ |
C |
x,y,z |
1_555 |
232 |
59 |
13633 |
2261.3 |
-26.3 |
0.145 |
37 |
4 |
0 |
0.203 |
2 |
|
E |
227 |
67 |
13679 |
◊ |
D |
x,y,z |
1_555 |
230 |
58 |
13646 |
2249.4 |
-27.0 |
0.119 |
38 |
5 |
0 |
0.203 |
3 |
|
B |
229 |
66 |
13615 |
◊ |
A |
x,y,z |
1_555 |
234 |
58 |
13668 |
2248.1 |
-26.2 |
0.149 |
38 |
4 |
0 |
0.203 |
4 |
|
C |
239 |
67 |
13633 |
◊ |
B |
x,y,z |
1_555 |
234 |
57 |
13615 |
2241.1 |
-26.3 |
0.155 |
38 |
4 |
0 |
0.203 |
5 |
|
E |
236 |
57 |
13679 |
◊ |
A |
x,y,z |
1_555 |
227 |
66 |
13668 |
2232.6 |
-25.9 |
0.146 |
36 |
5 |
0 |
0.203 |
Average: |
2246.5 |
-26.4 |
0.143 |
37 |
4 |
0 |
0.203 |
2 |
6 |
|
D |
30 |
7 |
13646 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
31 |
7 |
13668 |
254.4 |
-1.1 |
0.661 |
9 |
2 |
0 |
0.012 |
7 |
|
E |
30 |
7 |
13679 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
30 |
7 |
13679 |
251.8 |
-1.4 |
0.619 |
8 |
2 |
0 |
0.012 |
8 |
|
C |
29 |
7 |
13633 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
28 |
7 |
13615 |
245.2 |
-1.4 |
0.606 |
9 |
1 |
0 |
0.012 |
Average: |
250.4 |
-1.3 |
0.629 |
9 |
2 |
0 |
0.012 |
3 |
9 |
|
[SIA]B:301 |
15 |
1 |
434 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
13615 |
224.3 |
-1.3 |
0.429 |
7 |
0 |
0 |
0.012 |
10 |
|
[SIA]A:301 |
16 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
13668 |
218.9 |
-1.5 |
0.413 |
6 |
0 |
0 |
0.012 |
11 |
|
[SIA]E:301 |
16 |
1 |
436 |
f |
E |
x,y,z |
1_555 |
30 |
12 |
13679 |
218.7 |
-1.6 |
0.416 |
7 |
0 |
0 |
0.012 |
Average: |
220.6 |
-1.5 |
0.419 |
7 |
0 |
0 |
0.012 |
4 |
12 |
|
C |
25 |
9 |
13633 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
17 |
7 |
13679 |
210.6 |
0.2 |
0.747 |
4 |
5 |
0 |
0.000 |
5 |
13 |
|
[GOL]B:303 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
13615 |
126.0 |
-0.3 |
0.612 |
3 |
0 |
0 |
0.002 |
6 |
14 |
|
C |
20 |
6 |
13633 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
12 |
6 |
13646 |
126.0 |
0.7 |
0.801 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
[GOL]B:305 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
13615 |
125.3 |
0.0 |
0.647 |
7 |
0 |
0 |
0.003 |
8 |
16 |
|
[GOL]E:306 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
13679 |
125.0 |
0.1 |
0.692 |
6 |
0 |
0 |
0.002 |
9 |
17 |
|
[GOL]A:303 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
13668 |
124.6 |
-0.4 |
0.559 |
2 |
0 |
0 |
0.001 |
10 |
18 |
|
[GOL]E:307 |
6 |
1 |
213 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
13679 |
124.2 |
-0.5 |
0.651 |
6 |
0 |
0 |
0.003 |
11 |
19 |
|
[GOL]C:305 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
13633 |
124.2 |
0.1 |
0.648 |
7 |
0 |
0 |
0.003 |
12 |
20 |
|
[GOL]D:304 |
6 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
13646 |
123.2 |
-0.5 |
0.638 |
5 |
0 |
0 |
0.003 |
13 |
21 |
|
[GOL]D:301 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
13646 |
123.0 |
-0.2 |
0.639 |
6 |
0 |
0 |
0.003 |
14 |
22 |
|
[K]A:309 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13668 |
116.9 |
-88.5 |
0.000 |
0 |
0 |
0 |
0.400 |
23 |
|
[K]B:309 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
13615 |
116.3 |
-88.3 |
0.000 |
0 |
0 |
0 |
0.400 |
24 |
|
[K]E:308 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
13679 |
110.7 |
-84.4 |
0.000 |
0 |
0 |
0 |
0.400 |
25 |
|
[K]C:307 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
13633 |
110.3 |
-84.2 |
0.000 |
0 |
0 |
0 |
0.400 |
26 |
|
[K]D:309 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
13646 |
110.1 |
-83.4 |
0.000 |
0 |
0 |
0 |
0.400 |
Average: |
112.9 |
-85.7 |
0.000 |
0 |
0 |
0 |
0.400 |
15 |
27 |
|
[GOL]B:307 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
13615 |
108.5 |
-0.5 |
0.603 |
4 |
0 |
0 |
0.002 |
16 |
28 |
|
[EDO]A:304 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
13668 |
107.5 |
2.9 |
0.488 |
2 |
0 |
0 |
0.000 |
17 |
29 |
|
[EDO]C:301 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
13633 |
107.4 |
2.9 |
0.474 |
3 |
0 |
0 |
0.000 |
18 |
30 |
|
[EDO]E:303 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
13679 |
107.1 |
2.9 |
0.479 |
3 |
0 |
0 |
0.000 |
31 |
|
[EDO]D:303 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
13646 |
104.4 |
3.0 |
0.482 |
3 |
0 |
0 |
0.000 |
Average: |
105.7 |
2.9 |
0.481 |
3 |
0 |
0 |
0.000 |
19 |
32 |
|
[EDO]D:307 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
13646 |
106.8 |
3.1 |
0.472 |
6 |
0 |
0 |
0.000 |
20 |
33 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
13615 |
106.1 |
3.0 |
0.466 |
3 |
0 |
0 |
0.000 |
21 |
34 |
|
[EDO]D:305 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
13646 |
105.4 |
2.5 |
0.477 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
13668 |
104.9 |
3.5 |
0.519 |
4 |
0 |
0 |
0.000 |
23 |
36 |
|
[EDO]C:302 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
13633 |
95.8 |
2.6 |
0.452 |
2 |
0 |
0 |
0.000 |
24 |
37 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
13668 |
95.6 |
2.8 |
0.472 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[EDO]E:304 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
13679 |
95.2 |
2.6 |
0.470 |
2 |
0 |
0 |
0.000 |
26 |
39 |
|
[EDO]D:306 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
13646 |
90.4 |
1.7 |
0.276 |
3 |
0 |
0 |
0.000 |
27 |
40 |
|
[EDO]C:304 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
13633 |
86.8 |
2.3 |
0.518 |
3 |
0 |
0 |
0.000 |
28 |
41 |
|
[K]B:308 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
13633 |
84.3 |
-49.4 |
0.000 |
0 |
0 |
0 |
0.200 |
42 |
|
[K]C:306 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
13646 |
75.4 |
-41.9 |
0.000 |
0 |
0 |
0 |
0.200 |
43 |
|
[K]A:310 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13668 |
74.6 |
-41.5 |
0.000 |
0 |
0 |
0 |
0.200 |
44 |
|
[K]D:308 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
13679 |
74.2 |
-40.9 |
0.000 |
0 |
0 |
0 |
0.200 |
45 |
|
[K]A:308 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13615 |
73.5 |
-40.7 |
0.000 |
0 |
0 |
0 |
0.200 |
Average: |
76.4 |
-42.9 |
0.000 |
0 |
0 |
0 |
0.200 |
29 |
46 |
|
[SIA]E:302 |
10 |
1 |
449 |
cf |
[SIA]E:301 |
x,y,z |
1_555 |
10 |
1 |
436 |
82.8 |
0.8 |
0.515 |
1 |
0 |
0 |
0.000 |
47 |
|
[SIA]B:302 |
12 |
1 |
442 |
cf |
[SIA]B:301 |
x,y,z |
1_555 |
10 |
1 |
434 |
77.2 |
1.4 |
0.543 |
0 |
0 |
0 |
0.000 |
Average: |
80.0 |
1.1 |
0.529 |
1 |
0 |
0 |
0.000 |
30 |
48 |
|
C |
9 |
3 |
13633 |
◊ |
[SIA]E:302 |
-x+1/2,y-1/2,-z |
4_545 |
9 |
1 |
449 |
81.5 |
0.3 |
0.537 |
2 |
0 |
0 |
0.000 |
31 |
49 |
|
[K]B:308 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
13615 |
77.4 |
-42.8 |
0.000 |
0 |
0 |
0 |
0.192 |
50 |
|
[K]A:308 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13668 |
76.6 |
-42.4 |
0.000 |
0 |
0 |
0 |
0.192 |
51 |
|
[K]D:308 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
13646 |
76.0 |
-42.2 |
0.000 |
0 |
0 |
0 |
0.192 |
52 |
|
[K]C:306 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
13633 |
73.2 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.192 |
53 |
|
[K]A:310 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
13679 |
72.0 |
-38.9 |
0.000 |
0 |
0 |
0 |
0.192 |
Average: |
75.0 |
-41.2 |
0.000 |
0 |
0 |
0 |
0.192 |
32 |
54 |
|
[EDO]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
13646 |
75.0 |
1.5 |
0.211 |
0 |
0 |
0 |
0.000 |
33 |
55 |
|
[EDO]A:307 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13668 |
74.9 |
1.8 |
0.227 |
0 |
0 |
0 |
0.000 |
34 |
56 |
|
[EDO]E:305 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
13679 |
74.8 |
1.6 |
0.218 |
1 |
0 |
0 |
0.000 |
35 |
57 |
|
[SIA]A:302 |
11 |
1 |
443 |
cf |
[SIA]A:301 |
x,y,z |
1_555 |
10 |
1 |
437 |
74.8 |
1.6 |
0.551 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
[EDO]B:306 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13615 |
74.5 |
1.7 |
0.222 |
1 |
0 |
0 |
0.000 |
37 |
59 |
|
[EDO]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
13633 |
72.3 |
1.4 |
0.227 |
1 |
0 |
0 |
0.000 |
38 |
60 |
|
B |
11 |
4 |
13615 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
10 |
6 |
13679 |
68.7 |
1.6 |
0.867 |
0 |
0 |
0 |
0.000 |
39 |
61 |
|
B |
7 |
4 |
13615 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
10 |
4 |
13646 |
67.7 |
-0.1 |
0.631 |
1 |
0 |
0 |
0.000 |
62 |
|
A |
5 |
3 |
13668 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
9 |
4 |
13633 |
65.2 |
-0.1 |
0.626 |
1 |
0 |
0 |
0.000 |
Average: |
66.4 |
-0.1 |
0.629 |
1 |
0 |
0 |
0.000 |
40 |
63 |
|
[SIA]B:302 |
10 |
1 |
442 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
13615 |
65.8 |
-1.1 |
0.439 |
0 |
0 |
0 |
0.002 |
64 |
|
[SIA]E:302 |
9 |
1 |
449 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
13679 |
64.3 |
-1.3 |
0.419 |
0 |
0 |
0 |
0.002 |
Average: |
65.0 |
-1.2 |
0.429 |
0 |
0 |
0 |
0.002 |
41 |
65 |
|
[SIA]A:301 |
6 |
1 |
437 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
13615 |
59.9 |
-1.2 |
0.331 |
0 |
0 |
0 |
0.004 |
66 |
|
[SIA]E:301 |
6 |
1 |
436 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
13668 |
58.8 |
-1.2 |
0.342 |
0 |
0 |
0 |
0.004 |
67 |
|
[SIA]B:301 |
4 |
1 |
434 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
13633 |
44.7 |
-1.4 |
0.315 |
0 |
0 |
0 |
0.004 |
Average: |
54.5 |
-1.3 |
0.329 |
0 |
0 |
0 |
0.004 |
42 |
68 |
|
[SIA]A:302 |
7 |
1 |
443 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13668 |
53.2 |
-0.9 |
0.419 |
0 |
0 |
0 |
0.000 |
43 |
69 |
|
B |
5 |
1 |
13615 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
13646 |
44.1 |
-0.2 |
0.352 |
0 |
0 |
0 |
0.000 |
44 |
70 |
|
[GOL]A:303 |
4 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
13679 |
40.3 |
0.2 |
0.633 |
2 |
0 |
0 |
0.000 |
45 |
71 |
|
[GOL]B:303 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13668 |
38.2 |
0.3 |
0.620 |
1 |
0 |
0 |
0.000 |
46 |
72 |
|
[GOL]E:306 |
4 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
13646 |
38.1 |
0.0 |
0.666 |
2 |
0 |
0 |
0.000 |
47 |
73 |
|
[GOL]D:301 |
3 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
13633 |
36.8 |
0.1 |
0.576 |
2 |
0 |
0 |
0.000 |
48 |
74 |
|
[SIA]B:302 |
1 |
1 |
442 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13668 |
34.6 |
-0.7 |
0.318 |
0 |
0 |
0 |
0.001 |
75 |
|
[SIA]E:302 |
1 |
1 |
449 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
13646 |
32.1 |
-0.7 |
0.318 |
0 |
0 |
0 |
0.001 |
Average: |
33.3 |
-0.7 |
0.318 |
0 |
0 |
0 |
0.001 |
49 |
76 |
|
[EDO]C:304 |
3 |
1 |
184 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
2 |
13679 |
33.1 |
0.5 |
0.440 |
0 |
0 |
0 |
0.000 |
50 |
77 |
|
[SIA]A:302 |
2 |
1 |
443 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
13679 |
32.3 |
-0.7 |
0.394 |
0 |
0 |
0 |
0.000 |
51 |
78 |
|
[EDO]D:306 |
2 |
1 |
183 |
f |
[EDO]D:302 |
x,y,z |
1_555 |
2 |
1 |
185 |
30.7 |
1.5 |
0.707 |
0 |
0 |
0 |
0.000 |
52 |
79 |
|
[EDO]D:305 |
3 |
1 |
184 |
f |
[EDO]D:303 |
x,y,z |
1_555 |
4 |
1 |
186 |
29.9 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
80 |
|
[EDO]C:304 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
13615 |
28.9 |
0.6 |
0.809 |
0 |
0 |
0 |
0.000 |
54 |
81 |
|
[EDO]A:307 |
1 |
1 |
184 |
f |
[EDO]A:306 |
x,y,z |
1_555 |
2 |
1 |
185 |
26.5 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
55 |
82 |
|
[EDO]B:306 |
2 |
1 |
185 |
f |
[GOL]B:307 |
x,y,z |
1_555 |
3 |
1 |
216 |
26.5 |
-0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
56 |
83 |
|
B |
2 |
1 |
13615 |
◊ |
[K]E:308 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
26.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
84 |
|
[EDO]C:304 |
3 |
1 |
184 |
f |
D |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
13646 |
25.3 |
0.8 |
0.969 |
1 |
0 |
0 |
0.000 |
58 |
85 |
|
[EDO]E:305 |
1 |
1 |
185 |
f |
[EDO]E:304 |
x,y,z |
1_555 |
1 |
1 |
185 |
24.7 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
59 |
86 |
|
[EDO]C:303 |
1 |
1 |
185 |
f |
[EDO]C:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
23.4 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
87 |
|
[EDO]E:304 |
2 |
1 |
185 |
f |
[EDO]E:303 |
x,y,z |
1_555 |
2 |
1 |
186 |
20.0 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
61 |
88 |
|
[GOL]B:307 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13668 |
19.3 |
1.1 |
0.685 |
0 |
0 |
0 |
0.000 |
62 |
89 |
|
[EDO]A:306 |
1 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
13679 |
18.9 |
1.5 |
0.687 |
0 |
0 |
0 |
0.000 |
63 |
90 |
|
[EDO]C:302 |
2 |
1 |
186 |
f |
[EDO]C:301 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.0 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
64 |
91 |
|
[EDO]C:302 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13615 |
16.1 |
1.0 |
0.972 |
0 |
0 |
0 |
0.000 |
65 |
92 |
|
[EDO]D:306 |
2 |
1 |
183 |
f |
[EDO]D:303 |
x,y,z |
1_555 |
2 |
1 |
186 |
16.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
93 |
|
[EDO]D:306 |
1 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13633 |
15.8 |
1.0 |
0.968 |
0 |
0 |
0 |
0.000 |
67 |
94 |
|
[EDO]A:306 |
1 |
1 |
185 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
2 |
1 |
186 |
15.2 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
68 |
95 |
|
[EDO]E:304 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
13646 |
15.1 |
1.0 |
0.973 |
0 |
0 |
0 |
0.000 |
69 |
96 |
|
[EDO]D:306 |
2 |
1 |
183 |
f |
[EDO]D:305 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
97 |
|
D |
1 |
1 |
13646 |
◊ |
[SIA]E:302 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
449 |
6.2 |
0.3 |
0.623 |
0 |
0 |
0 |
0.000 |
71 |
98 |
|
B |
1 |
1 |
13615 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
13668 |
1.3 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
72 |
99 |
|
[K]E:308 |
1 |
1 |
216 |
f |
[GOL]E:306 |
x,y,z |
1_555 |
1 |
1 |
218 |
0.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|