## |
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 |
83 |
22 |
14589 |
◊ |
A |
x,y,z |
1_555 |
90 |
30 |
15026 |
767.9 |
-0.4 |
0.687 |
13 |
0 |
0 |
0.000 |
2 |
|
C |
76 |
23 |
14757 |
◊ |
B |
x-y+1,x,z+1/6 |
6_655 |
84 |
29 |
14589 |
693.9 |
-1.0 |
0.642 |
11 |
1 |
0 |
0.000 |
3 |
|
C |
84 |
29 |
14757 |
◊ |
D |
x-y+1,x-1,z+1/6 |
6_645 |
69 |
21 |
15064 |
673.2 |
-1.3 |
0.579 |
12 |
0 |
0 |
0.000 |
Average: |
711.7 |
-0.9 |
0.636 |
12 |
0 |
0 |
0.000 |
2 |
4 |
|
E |
93 |
37 |
14897 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
85 |
23 |
15026 |
734.1 |
0.2 |
0.685 |
13 |
1 |
0 |
0.000 |
5 |
|
E |
65 |
20 |
14897 |
◊ |
D |
x-y+1,x,z+1/6 |
6_655 |
79 |
29 |
15064 |
596.8 |
-0.0 |
0.657 |
10 |
0 |
0 |
0.000 |
Average: |
665.5 |
0.1 |
0.671 |
12 |
1 |
0 |
0.000 |
3 |
6 |
|
E |
37 |
16 |
14897 |
◊ |
A |
x,y,z |
1_555 |
40 |
16 |
15026 |
366.1 |
0.1 |
0.620 |
9 |
2 |
0 |
0.000 |
4 |
7 |
|
C |
34 |
12 |
14757 |
◊ |
D |
x,y-1,z |
1_545 |
46 |
23 |
15064 |
332.0 |
0.5 |
0.703 |
2 |
1 |
0 |
0.000 |
5 |
8 |
|
D |
24 |
9 |
15064 |
◊ |
B |
x-y+1,x+1,z+1/6 |
6_665 |
35 |
13 |
14589 |
239.8 |
-3.8 |
0.165 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
E |
20 |
10 |
14897 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
15064 |
161.8 |
3.4 |
0.918 |
2 |
4 |
0 |
0.000 |
7 |
10 |
|
[PEG]A:501 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
15026 |
143.9 |
3.1 |
0.355 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
18 |
8 |
15064 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
14589 |
140.4 |
-2.3 |
0.278 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
4 |
1 |
14757 |
◊ |
A |
x-y+1,x-1,z+1/6 |
6_645 |
4 |
2 |
15026 |
35.5 |
-0.8 |
0.267 |
0 |
0 |
0 |
0.000 |
Average: |
87.9 |
-1.6 |
0.272 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
E |
16 |
7 |
14897 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
14757 |
138.3 |
-1.0 |
0.417 |
0 |
0 |
0 |
0.000 |
14 |
|
E |
12 |
6 |
14897 |
◊ |
B |
x-y+1,x+1,z+1/6 |
6_665 |
14 |
7 |
14589 |
88.8 |
-0.9 |
0.430 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
11 |
4 |
15026 |
◊ |
D |
x-1,y-1,z |
1_445 |
12 |
6 |
15064 |
85.1 |
-1.6 |
0.273 |
0 |
0 |
0 |
0.000 |
Average: |
104.1 |
-1.2 |
0.373 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[PEG]A:502 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
15026 |
128.6 |
2.8 |
0.306 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]D:508 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
15064 |
118.0 |
4.0 |
0.663 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]A:509 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
15026 |
112.9 |
3.1 |
0.451 |
4 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]B:507 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14589 |
112.1 |
2.7 |
0.428 |
4 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]D:507 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
15064 |
111.8 |
3.8 |
0.467 |
4 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]D:510 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
15064 |
110.7 |
3.4 |
0.460 |
4 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]A:514 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15026 |
107.8 |
2.8 |
0.410 |
3 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]D:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
15064 |
105.7 |
2.9 |
0.449 |
4 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15026 |
104.7 |
2.6 |
0.444 |
3 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]B:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14589 |
104.3 |
2.5 |
0.460 |
5 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]A:510 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
15026 |
99.5 |
3.5 |
0.488 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]E:503 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
15 |
8 |
14897 |
98.4 |
2.9 |
0.463 |
2 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]A:506 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
15026 |
97.6 |
2.8 |
0.484 |
2 |
0 |
0 |
0.000 |
23 |
29 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
15026 |
95.9 |
2.3 |
0.268 |
4 |
0 |
0 |
0.000 |
24 |
30 |
|
[EDO]B:504 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
14589 |
95.1 |
2.8 |
0.477 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[PEG]D:502 |
7 |
1 |
264 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15064 |
93.8 |
2.8 |
0.338 |
2 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]C:503 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
14757 |
93.6 |
2.3 |
0.223 |
2 |
0 |
0 |
0.000 |
27 |
33 |
|
[EDO]E:501 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
14897 |
93.0 |
2.3 |
0.394 |
2 |
0 |
0 |
0.000 |
28 |
34 |
|
[EDO]C:504 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
14757 |
91.9 |
2.6 |
0.276 |
5 |
0 |
0 |
0.000 |
29 |
35 |
|
[PEG]D:501 |
7 |
1 |
261 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
15064 |
90.6 |
3.6 |
0.301 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
[EDO]D:509 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
15064 |
84.2 |
1.8 |
0.219 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
C |
10 |
6 |
14757 |
f |
[PEG]D:501 |
x,y-1,z |
1_545 |
6 |
1 |
261 |
84.0 |
1.8 |
0.239 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[EDO]E:505 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
14897 |
83.4 |
2.6 |
0.470 |
1 |
0 |
0 |
0.000 |
33 |
39 |
|
[EDO]C:505 |
4 |
1 |
186 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
6 |
15064 |
82.8 |
2.8 |
0.306 |
3 |
0 |
0 |
0.000 |
34 |
40 |
|
[EDO]C:501 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
14757 |
82.1 |
2.2 |
0.274 |
2 |
0 |
0 |
0.000 |
35 |
41 |
|
[EDO]E:502 |
4 |
1 |
184 |
◊ |
D |
x-y+1,x,z+1/6 |
6_655 |
14 |
5 |
15064 |
81.5 |
2.3 |
0.273 |
1 |
0 |
0 |
0.000 |
36 |
42 |
|
D |
5 |
2 |
15064 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
11 |
5 |
15026 |
81.5 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[EDO]E:506 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
14897 |
81.0 |
3.0 |
0.523 |
1 |
0 |
0 |
0.000 |
38 |
44 |
|
[EDO]A:513 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15026 |
80.8 |
2.7 |
0.298 |
5 |
0 |
0 |
0.000 |
39 |
45 |
|
[EDO]A:508 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15026 |
79.1 |
1.9 |
0.736 |
2 |
0 |
0 |
0.000 |
40 |
46 |
|
[EDO]B:501 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14589 |
77.4 |
2.0 |
0.275 |
2 |
0 |
0 |
0.000 |
41 |
47 |
|
C |
11 |
5 |
14757 |
◊ |
[EDO]D:504 |
x-y+1,x-1,z+1/6 |
6_645 |
4 |
1 |
183 |
77.4 |
2.8 |
0.521 |
2 |
0 |
0 |
0.000 |
42 |
48 |
|
[EDO]A:503 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
15026 |
77.1 |
2.2 |
0.463 |
2 |
0 |
0 |
0.000 |
43 |
49 |
|
C |
16 |
8 |
14757 |
◊ |
[EDO]B:503 |
x-y+1,x,z+1/6 |
6_655 |
4 |
1 |
187 |
75.9 |
1.5 |
0.244 |
1 |
0 |
0 |
0.000 |
44 |
50 |
|
[EDO]B:503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
14589 |
75.3 |
1.3 |
0.217 |
3 |
0 |
0 |
0.000 |
45 |
51 |
|
[EDO]E:504 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
14897 |
74.9 |
1.9 |
0.269 |
2 |
0 |
0 |
0.000 |
46 |
52 |
|
[EDO]A:512 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15026 |
74.7 |
2.5 |
0.299 |
2 |
0 |
0 |
0.000 |
47 |
53 |
|
[EDO]A:507 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15026 |
73.2 |
2.1 |
0.262 |
1 |
0 |
0 |
0.000 |
48 |
54 |
|
[EDO]C:502 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
14757 |
72.8 |
2.0 |
0.808 |
3 |
0 |
0 |
0.000 |
49 |
55 |
|
[EDO]A:512 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14589 |
72.2 |
1.7 |
0.244 |
1 |
0 |
0 |
0.000 |
50 |
56 |
|
[EDO]B:505 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14589 |
69.3 |
2.6 |
0.958 |
2 |
0 |
0 |
0.000 |
51 |
57 |
|
[EDO]A:511 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
15026 |
68.5 |
1.2 |
0.602 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[EDO]E:505 |
4 |
1 |
185 |
f |
A |
x-y+1,x,z+1/6 |
6_655 |
16 |
4 |
15026 |
67.9 |
2.8 |
0.329 |
2 |
0 |
0 |
0.000 |
53 |
59 |
|
[EDO]D:504 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
15064 |
67.1 |
1.3 |
0.236 |
1 |
0 |
0 |
0.000 |
54 |
60 |
|
[EDO]E:506 |
4 |
1 |
183 |
f |
A |
x-y+1,x,z+1/6 |
6_655 |
12 |
6 |
15026 |
66.4 |
1.2 |
0.668 |
1 |
0 |
0 |
0.000 |
55 |
61 |
|
[EDO]A:513 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
14589 |
64.5 |
1.7 |
0.259 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[EDO]D:506 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
15064 |
64.0 |
2.1 |
0.327 |
3 |
0 |
0 |
0.000 |
57 |
63 |
|
[EDO]A:511 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
14897 |
62.6 |
1.1 |
0.559 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[EDO]D:505 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15064 |
62.0 |
1.7 |
0.854 |
3 |
0 |
0 |
0.000 |
59 |
65 |
|
[EDO]C:505 |
3 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
14757 |
61.0 |
1.8 |
0.298 |
1 |
0 |
0 |
0.000 |
60 |
66 |
|
C |
10 |
4 |
14757 |
f |
[EDO]D:505 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
60.2 |
1.7 |
0.274 |
4 |
0 |
0 |
0.000 |
61 |
67 |
|
[EDO]E:502 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
14897 |
57.8 |
1.6 |
0.742 |
1 |
0 |
0 |
0.000 |
62 |
68 |
|
[EDO]C:501 |
4 |
1 |
185 |
◊ |
D |
x-y+1,x-1,z+1/6 |
6_645 |
8 |
3 |
15064 |
57.8 |
1.6 |
0.737 |
2 |
0 |
0 |
0.000 |
63 |
69 |
|
C |
9 |
3 |
14757 |
◊ |
[EDO]B:501 |
x-y+1,x,z+1/6 |
6_655 |
4 |
1 |
185 |
57.2 |
1.2 |
0.750 |
1 |
0 |
0 |
0.000 |
70 |
|
[EDO]E:504 |
4 |
1 |
184 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
9 |
3 |
15026 |
53.8 |
1.2 |
0.748 |
1 |
0 |
0 |
0.000 |
Average: |
55.5 |
1.2 |
0.749 |
1 |
0 |
0 |
0.000 |
64 |
71 |
|
[EDO]A:503 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14589 |
53.8 |
1.1 |
0.749 |
1 |
0 |
0 |
0.000 |
65 |
72 |
|
[EDO]A:506 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14589 |
53.5 |
1.4 |
0.762 |
1 |
0 |
0 |
0.000 |
66 |
73 |
|
[EDO]B:506 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14589 |
52.7 |
1.5 |
0.823 |
2 |
0 |
0 |
0.000 |
67 |
74 |
|
E |
7 |
4 |
14897 |
◊ |
[EDO]D:506 |
x-y+1,x,z+1/6 |
6_655 |
3 |
1 |
185 |
51.1 |
1.3 |
0.886 |
1 |
0 |
0 |
0.000 |
68 |
75 |
|
D |
8 |
3 |
15064 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15026 |
50.3 |
1.1 |
0.841 |
1 |
0 |
0 |
0.000 |
69 |
76 |
|
A |
4 |
1 |
15026 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
5 |
14757 |
46.8 |
-0.9 |
0.235 |
0 |
0 |
0 |
0.000 |
70 |
77 |
|
[EDO]A:507 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14589 |
43.2 |
0.8 |
0.845 |
2 |
0 |
0 |
0.000 |
71 |
78 |
|
[EDO]A:507 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
14897 |
41.6 |
1.1 |
0.899 |
0 |
0 |
0 |
0.000 |
72 |
79 |
|
B |
3 |
1 |
14589 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
14757 |
39.7 |
-0.3 |
0.415 |
1 |
0 |
0 |
0.000 |
73 |
80 |
|
E |
6 |
3 |
14897 |
◊ |
B |
x-y+1,x,z+1/6 |
6_655 |
2 |
1 |
14589 |
38.8 |
1.8 |
0.866 |
1 |
0 |
0 |
0.000 |
74 |
81 |
|
[EDO]A:510 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
14897 |
30.5 |
1.4 |
0.971 |
1 |
0 |
0 |
0.000 |
75 |
82 |
|
[EDO]E:504 |
3 |
1 |
184 |
◊ |
[EDO]E:503 |
x,y,z |
1_555 |
3 |
1 |
185 |
30.0 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
76 |
83 |
|
[EDO]A:505 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14589 |
29.8 |
0.7 |
0.499 |
0 |
0 |
0 |
0.000 |
77 |
84 |
|
[EDO]A:505 |
2 |
1 |
185 |
◊ |
[EDO]A:503 |
x,y,z |
1_555 |
3 |
1 |
186 |
26.5 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
78 |
85 |
|
[EDO]B:504 |
3 |
1 |
186 |
◊ |
[EDO]B:501 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.0 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
79 |
86 |
|
[PEG]A:502 |
2 |
1 |
255 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
14897 |
25.6 |
0.7 |
0.342 |
0 |
0 |
0 |
0.000 |
80 |
87 |
|
C |
1 |
1 |
14757 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
5 |
2 |
15026 |
23.3 |
1.2 |
0.864 |
0 |
0 |
0 |
0.000 |
88 |
|
C |
3 |
2 |
14757 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
14897 |
10.0 |
0.6 |
0.843 |
0 |
0 |
0 |
0.000 |
Average: |
16.6 |
0.9 |
0.853 |
0 |
0 |
0 |
0.000 |
81 |
89 |
|
C |
3 |
1 |
14757 |
f |
[EDO]D:509 |
x-y+1,x-1,z+1/6 |
6_645 |
3 |
1 |
184 |
23.2 |
0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
82 |
90 |
|
C |
3 |
1 |
14757 |
f |
[EDO]B:504 |
x-y+1,x,z+1/6 |
6_655 |
3 |
1 |
186 |
19.4 |
0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
83 |
91 |
|
[EDO]E:503 |
3 |
1 |
185 |
f |
A |
x-y+1,x,z+1/6 |
6_655 |
3 |
1 |
15026 |
19.3 |
0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
84 |
92 |
|
E |
2 |
1 |
14897 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14589 |
18.6 |
0.9 |
0.863 |
1 |
1 |
0 |
0.000 |
85 |
93 |
|
[EDO]C:505 |
2 |
1 |
186 |
f |
[EDO]D:505 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
15.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
86 |
94 |
|
[EDO]B:504 |
1 |
1 |
186 |
◊ |
[EDO]B:503 |
x,y,z |
1_555 |
1 |
1 |
187 |
12.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
87 |
95 |
|
[EDO]C:504 |
1 |
1 |
185 |
f |
D |
x-y+1,x-1,z+1/6 |
6_645 |
1 |
1 |
15064 |
9.8 |
-0.0 |
0.459 |
0 |
0 |
0 |
0.000 |
88 |
96 |
|
B |
4 |
2 |
14589 |
◊ |
D |
x-1,y-1,z |
1_445 |
1 |
1 |
15064 |
8.9 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
89 |
97 |
|
[EDO]A:511 |
1 |
1 |
184 |
f |
[EDO]A:507 |
x,y,z |
1_555 |
1 |
1 |
187 |
7.7 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
90 |
98 |
|
A |
3 |
2 |
15026 |
◊ |
[EDO]D:509 |
x-1,y-1,z |
1_445 |
2 |
1 |
184 |
5.8 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
91 |
99 |
|
[EDO]C:501 |
1 |
1 |
185 |
f |
[EDO]D:504 |
x-y+1,x-1,z+1/6 |
6_645 |
2 |
1 |
183 |
4.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
92 |
100 |
|
[EDO]A:512 |
1 |
1 |
184 |
f |
[EDO]A:503 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|