| ## |
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 |
60 |
7 |
2871 |
◊ |
B |
x,y,z |
1_555 |
73 |
27 |
10737 |
539.8 |
-6.0 |
0.355 |
3 |
0 |
0 |
0.757 |
2 |
|
D |
58 |
5 |
2831 |
◊ |
A |
x,y,z |
1_555 |
69 |
25 |
11077 |
532.8 |
-5.8 |
0.401 |
4 |
0 |
0 |
0.757 |
| Average: |
536.3 |
-5.9 |
0.378 |
4 |
0 |
0 |
0.757 |
| 2 |
3 |
|
E |
61 |
9 |
2926 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
11077 |
532.4 |
-3.7 |
0.660 |
12 |
0 |
0 |
0.260 |
4 |
|
F |
59 |
9 |
2933 |
◊ |
B |
x,y,z |
1_555 |
54 |
15 |
10737 |
486.6 |
-4.0 |
0.607 |
12 |
0 |
0 |
0.260 |
| Average: |
509.5 |
-3.8 |
0.633 |
12 |
0 |
0 |
0.260 |
| 3 |
5 |
|
E |
50 |
12 |
2926 |
◊ |
D |
x,y,z |
1_555 |
54 |
11 |
2831 |
530.6 |
-6.9 |
0.551 |
31 |
0 |
0 |
0.894 |
6 |
|
F |
50 |
12 |
2933 |
◊ |
C |
x,y,z |
1_555 |
51 |
11 |
2871 |
522.6 |
-6.6 |
0.525 |
31 |
0 |
0 |
0.894 |
| Average: |
526.6 |
-6.7 |
0.538 |
31 |
0 |
0 |
0.894 |
| 4 |
7 |
|
B |
50 |
16 |
10737 |
◊ |
A |
x,y,z |
1_555 |
46 |
18 |
11077 |
448.1 |
-0.4 |
0.586 |
4 |
2 |
0 |
0.000 |
| 5 |
8 |
|
A |
35 |
12 |
11077 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
29 |
9 |
10737 |
300.9 |
0.2 |
0.584 |
6 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[5CM]C:407 |
20 |
1 |
441 |
◊ |
B |
x,y,z |
1_555 |
38 |
19 |
10737 |
271.7 |
1.5 |
0.438 |
6 |
0 |
0 |
0.121 |
10 |
|
[5CM]D:407 |
20 |
1 |
437 |
◊ |
A |
x,y,z |
1_555 |
37 |
20 |
11077 |
269.2 |
1.5 |
0.441 |
6 |
0 |
0 |
0.121 |
| Average: |
270.4 |
1.5 |
0.440 |
6 |
0 |
0 |
0.121 |
| 7 |
11 |
|
A |
29 |
10 |
11077 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
34 |
8 |
10737 |
261.7 |
-0.2 |
0.484 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
F |
22 |
2 |
2933 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
20 |
5 |
11077 |
180.2 |
0.9 |
0.431 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
E |
21 |
2 |
2926 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
16 |
2 |
2831 |
137.1 |
2.1 |
0.781 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
17 |
7 |
10737 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
17 |
7 |
10737 |
134.8 |
0.4 |
0.648 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
B |
18 |
7 |
10737 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
15 |
5 |
11077 |
130.1 |
1.5 |
0.777 |
4 |
3 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]B:630 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
10737 |
126.6 |
3.4 |
0.384 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
C |
12 |
2 |
2871 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
16 |
8 |
11077 |
126.5 |
1.2 |
0.660 |
3 |
0 |
0 |
0.000 |
| 14 |
18 |
|
D |
14 |
4 |
2831 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
17 |
5 |
10737 |
122.2 |
-1.6 |
0.478 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
E |
16 |
1 |
2926 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
10 |
4 |
10737 |
121.8 |
0.4 |
0.289 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[EDO]A:631 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
11077 |
106.3 |
2.4 |
0.403 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]A:632 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
11077 |
100.0 |
4.4 |
0.566 |
3 |
0 |
0 |
0.000 |
| 18 |
22 |
|
F |
16 |
2 |
2933 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
9 |
3 |
11077 |
98.2 |
1.5 |
0.827 |
2 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]A:636 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11077 |
97.7 |
3.2 |
0.420 |
3 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[5CM]D:407 |
10 |
1 |
437 |
cf |
D |
x,y,z |
1_555 |
13 |
2 |
2831 |
96.1 |
0.5 |
0.433 |
0 |
0 |
0 |
0.000 |
25 |
|
[5CM]C:407 |
10 |
1 |
441 |
cf |
C |
x,y,z |
1_555 |
14 |
2 |
2871 |
94.2 |
0.4 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
95.1 |
0.4 |
0.429 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[EDO]A:635 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
11077 |
93.5 |
3.0 |
0.304 |
3 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[EDO]A:630 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
11077 |
86.9 |
2.5 |
0.275 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[EDO]A:629 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11077 |
85.6 |
2.7 |
0.221 |
3 |
0 |
0 |
0.000 |
| 24 |
29 |
|
A |
13 |
5 |
11077 |
◊ |
[EDO]B:629 |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
4 |
1 |
188 |
84.0 |
2.4 |
0.399 |
1 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[EDO]B:631 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
10737 |
80.9 |
2.7 |
0.287 |
2 |
0 |
0 |
0.000 |
| 26 |
31 |
|
C |
8 |
1 |
2871 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
10 |
3 |
11077 |
80.9 |
1.6 |
0.750 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
D |
14 |
2 |
2831 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
5 |
3 |
10737 |
80.5 |
0.1 |
0.598 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[EDO]F:513 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
2933 |
78.1 |
2.4 |
0.263 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[EDO]A:634 |
3 |
1 |
185 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
12 |
4 |
10737 |
72.2 |
1.8 |
0.420 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[EDO]B:633 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10737 |
72.1 |
2.3 |
0.253 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[EDO]A:634 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11077 |
71.7 |
2.9 |
0.310 |
3 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[EDO]B:633 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11077 |
71.7 |
2.2 |
0.299 |
1 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[EDO]F:510 |
4 |
1 |
184 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
11 |
6 |
11077 |
67.9 |
2.2 |
0.316 |
2 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[EDO]B:629 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10737 |
66.4 |
1.6 |
0.840 |
2 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[EDO]E:503 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
2926 |
65.9 |
1.1 |
0.782 |
3 |
0 |
0 |
0.008 |
| 36 |
41 |
|
[EDO]F:509 |
4 |
1 |
184 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
8 |
4 |
11077 |
64.0 |
1.8 |
0.287 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[EDO]F:511 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
2933 |
61.0 |
0.7 |
0.658 |
2 |
0 |
0 |
0.009 |
| 38 |
43 |
|
[EDO]E:501 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
2926 |
60.0 |
1.8 |
0.296 |
3 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[EDO]A:633 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11077 |
59.1 |
2.3 |
0.314 |
2 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[EDO]F:509 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
2933 |
58.0 |
1.7 |
0.275 |
1 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[EDO]F:511 |
4 |
1 |
184 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
10 |
3 |
11077 |
57.6 |
2.5 |
0.289 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[EDO]F:506 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
2933 |
55.7 |
1.7 |
0.295 |
3 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[EDO]A:633 |
3 |
1 |
182 |
f |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
6 |
4 |
10737 |
55.3 |
1.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[EDO]B:632 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
10737 |
54.5 |
0.7 |
0.579 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[EDO]A:635 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
2926 |
51.6 |
0.6 |
0.695 |
1 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[EDO]E:501 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
2831 |
51.3 |
2.2 |
0.309 |
1 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[EDO]F:506 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
2871 |
50.8 |
2.3 |
0.310 |
1 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[NA]A:637 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11077 |
50.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.756 |
54 |
|
[NA]B:634 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10737 |
50.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.756 |
| Average: |
50.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.756 |
| 49 |
55 |
|
[EDO]C:505 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
2871 |
47.7 |
1.1 |
0.267 |
1 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[EDO]D:502 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
2831 |
47.6 |
1.2 |
0.273 |
1 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[EDO]C:505 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
10737 |
47.5 |
1.4 |
0.276 |
0 |
0 |
0 |
0.000 |
| 52 |
58 |
|
[EDO]D:502 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11077 |
47.2 |
1.4 |
0.278 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
[EDO]B:632 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
2871 |
45.8 |
1.3 |
0.753 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
E |
7 |
2 |
2926 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
7 |
4 |
10737 |
45.2 |
-1.0 |
0.487 |
1 |
0 |
0 |
0.000 |
| 55 |
61 |
|
[EDO]D:502 |
3 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
2926 |
42.4 |
0.5 |
0.792 |
1 |
0 |
0 |
0.000 |
| 56 |
62 |
|
[NA]E:504 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
2926 |
42.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.235 |
63 |
|
[NA]F:503 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
2933 |
40.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.235 |
| Average: |
41.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.235 |
| 57 |
64 |
|
[EDO]F:510 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
9 |
2 |
2933 |
39.1 |
0.9 |
0.789 |
0 |
0 |
0 |
0.000 |
| 58 |
65 |
|
[EDO]E:503 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11077 |
38.8 |
1.6 |
0.854 |
0 |
0 |
0 |
0.000 |
| 59 |
66 |
|
[EDO]C:505 |
3 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
2933 |
38.8 |
0.2 |
0.762 |
1 |
0 |
0 |
0.012 |
| 60 |
67 |
|
[EDO]A:631 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
10737 |
35.8 |
1.1 |
0.788 |
0 |
0 |
0 |
0.000 |
| 61 |
68 |
|
[EDO]F:510 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
10737 |
33.5 |
1.4 |
0.613 |
0 |
0 |
0 |
0.000 |
| 62 |
69 |
|
[EDO]F:513 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
2871 |
32.8 |
0.7 |
0.742 |
2 |
0 |
0 |
0.006 |
| 63 |
70 |
|
[EDO]F:511 |
2 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
2871 |
32.6 |
1.2 |
0.801 |
1 |
0 |
0 |
0.000 |
| 64 |
71 |
|
F |
4 |
2 |
2933 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
11077 |
31.8 |
-2.1 |
0.203 |
0 |
0 |
0 |
0.000 |
| 65 |
72 |
|
E |
5 |
1 |
2926 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
2926 |
30.8 |
-0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
| 66 |
73 |
|
E |
3 |
1 |
2926 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10737 |
29.8 |
0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
| 67 |
74 |
|
[EDO]F:513 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
10737 |
29.4 |
0.7 |
0.839 |
1 |
0 |
0 |
0.000 |
| 68 |
75 |
|
[NA]F:503 |
1 |
1 |
125 |
f |
[EDO]C:505 |
x,y,z |
1_555 |
4 |
1 |
185 |
29.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.132 |
76 |
|
[NA]E:504 |
1 |
1 |
125 |
f |
[EDO]D:502 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
29.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.132 |
| 69 |
77 |
|
[EDO]E:503 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
2831 |
29.1 |
1.0 |
0.751 |
0 |
0 |
0 |
0.000 |
| 70 |
78 |
|
[EDO]F:506 |
3 |
1 |
184 |
f |
[EDO]C:505 |
x,y,z |
1_555 |
4 |
1 |
185 |
28.7 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 71 |
79 |
|
[EDO]E:501 |
3 |
1 |
183 |
f |
[EDO]D:502 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.3 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 72 |
80 |
|
[NA]A:637 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2831 |
27.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.263 |
81 |
|
[NA]B:634 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
2871 |
27.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.263 |
| Average: |
27.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.263 |
| 73 |
82 |
|
D |
5 |
1 |
2831 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
2831 |
27.1 |
0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
| 74 |
83 |
|
[NA]B:634 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
2933 |
26.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.062 |
84 |
|
[NA]A:637 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
2926 |
25.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
25.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.062 |
| 75 |
85 |
|
[EDO]F:510 |
3 |
1 |
184 |
f |
[EDO]F:509 |
x,y,z |
1_555 |
3 |
1 |
184 |
24.4 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
| 76 |
86 |
|
[EDO]B:632 |
2 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
2933 |
24.0 |
1.1 |
0.907 |
0 |
0 |
0 |
0.000 |
| 77 |
87 |
|
[NA]F:503 |
1 |
1 |
125 |
f |
[EDO]F:506 |
x,y,z |
1_555 |
3 |
1 |
184 |
23.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.088 |
88 |
|
[NA]E:504 |
1 |
1 |
125 |
f |
[EDO]E:501 |
x,y,z |
1_555 |
3 |
1 |
183 |
22.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
23.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.088 |
| 78 |
89 |
|
[EDO]F:506 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
10737 |
23.3 |
0.7 |
0.581 |
0 |
0 |
0 |
0.000 |
| 79 |
90 |
|
[NA]E:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2831 |
22.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.073 |
91 |
|
[NA]F:503 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
2871 |
22.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
22.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.073 |
| 80 |
92 |
|
[EDO]E:501 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
11077 |
22.6 |
0.6 |
0.796 |
0 |
0 |
0 |
0.000 |
| 81 |
93 |
|
A |
5 |
3 |
11077 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
2831 |
18.0 |
0.4 |
0.578 |
0 |
0 |
0 |
0.000 |
| 82 |
94 |
|
[EDO]A:629 |
1 |
1 |
182 |
f |
C |
-x-1,y,-z+1/2 |
3_455 |
3 |
2 |
2871 |
13.4 |
0.7 |
0.735 |
0 |
0 |
0 |
0.000 |
| 83 |
95 |
|
[EDO]F:509 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10737 |
12.1 |
0.5 |
0.847 |
0 |
0 |
0 |
0.000 |
| 84 |
96 |
|
[EDO]B:633 |
2 |
1 |
182 |
f |
[EDO]A:631 |
x,y,z |
1_555 |
1 |
1 |
184 |
10.8 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 85 |
97 |
|
D |
3 |
2 |
2831 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10737 |
10.7 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 86 |
98 |
|
A |
2 |
2 |
11077 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
2 |
11077 |
8.8 |
-0.3 |
0.373 |
0 |
0 |
0 |
0.000 |
| 87 |
99 |
|
B |
2 |
2 |
10737 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
11077 |
5.6 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
| 88 |
100 |
|
[EDO]F:511 |
1 |
1 |
184 |
f |
[EDO]F:510 |
x,y,z |
1_555 |
1 |
1 |
184 |
5.4 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 89 |
101 |
|
C |
1 |
1 |
2871 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
1 |
1 |
11077 |
2.4 |
-0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
| 90 |
102 |
|
[NA]E:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11077 |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
103 |
|
[NA]F:503 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10737 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|