## |
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 |
100 |
26 |
9212 |
◊ |
A |
x,y,z |
1_555 |
103 |
26 |
9346 |
1020.4 |
-13.0 |
0.207 |
24 |
4 |
0 |
1.000 |
2 |
|
G |
99 |
25 |
9289 |
◊ |
E |
x,y,z |
1_555 |
101 |
26 |
9320 |
1010.5 |
-12.9 |
0.190 |
23 |
4 |
0 |
1.000 |
Average: |
1015.4 |
-12.9 |
0.198 |
24 |
4 |
0 |
1.000 |
2 |
3 |
|
B |
67 |
21 |
7452 |
◊ |
A |
x,y,z |
1_555 |
68 |
23 |
9346 |
696.4 |
-12.7 |
0.059 |
6 |
2 |
0 |
1.000 |
4 |
|
D |
66 |
21 |
7530 |
◊ |
C |
x,y,z |
1_555 |
64 |
22 |
9212 |
690.2 |
-12.1 |
0.067 |
7 |
3 |
0 |
1.000 |
5 |
|
H |
65 |
21 |
7404 |
◊ |
G |
x,y,z |
1_555 |
67 |
22 |
9289 |
687.1 |
-12.4 |
0.067 |
6 |
2 |
0 |
1.000 |
6 |
|
F |
63 |
22 |
7442 |
◊ |
E |
x,y,z |
1_555 |
70 |
23 |
9320 |
662.0 |
-12.6 |
0.061 |
6 |
2 |
0 |
1.000 |
Average: |
683.9 |
-12.4 |
0.064 |
6 |
2 |
0 |
1.000 |
3 |
7 |
|
C |
57 |
10 |
9212 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
60 |
17 |
7530 |
502.1 |
-2.1 |
0.623 |
3 |
5 |
0 |
0.022 |
8 |
|
B |
64 |
18 |
7452 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
55 |
10 |
9346 |
498.4 |
-1.7 |
0.637 |
4 |
4 |
0 |
0.022 |
9 |
|
F |
64 |
19 |
7442 |
◊ |
G |
-x,y-1/2,-z+3 |
2_548 |
59 |
11 |
9289 |
486.9 |
-2.5 |
0.594 |
4 |
7 |
0 |
0.022 |
10 |
|
E |
53 |
10 |
9320 |
◊ |
H |
-x-1,y-1/2,-z+3 |
2_448 |
55 |
16 |
7404 |
452.7 |
-2.8 |
0.552 |
4 |
3 |
0 |
0.022 |
Average: |
485.0 |
-2.3 |
0.602 |
4 |
5 |
0 |
0.022 |
4 |
11 |
|
G |
50 |
16 |
9289 |
◊ |
H |
-x,y-1/2,-z+3 |
2_548 |
38 |
11 |
7404 |
442.4 |
2.3 |
0.845 |
7 |
6 |
0 |
0.000 |
12 |
|
D |
43 |
11 |
7530 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
50 |
16 |
9346 |
441.7 |
2.3 |
0.842 |
7 |
6 |
0 |
0.000 |
13 |
|
C |
49 |
16 |
9212 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
38 |
10 |
7452 |
407.4 |
2.3 |
0.856 |
8 |
5 |
0 |
0.000 |
14 |
|
F |
37 |
10 |
7442 |
◊ |
E |
-x-1,y-1/2,-z+3 |
2_448 |
49 |
16 |
9320 |
405.8 |
2.8 |
0.879 |
8 |
5 |
0 |
0.000 |
Average: |
424.3 |
2.4 |
0.856 |
8 |
6 |
0 |
0.000 |
5 |
15 |
|
E |
25 |
9 |
9320 |
◊ |
D |
x-1,y,z |
1_455 |
21 |
7 |
7530 |
230.5 |
-1.0 |
0.505 |
3 |
0 |
0 |
0.000 |
16 |
|
G |
27 |
8 |
9289 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
7452 |
196.0 |
-2.0 |
0.466 |
1 |
0 |
0 |
0.000 |
Average: |
213.2 |
-1.5 |
0.486 |
2 |
0 |
0 |
0.000 |
6 |
17 |
|
F |
21 |
8 |
7442 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
20 |
7 |
9346 |
223.3 |
1.2 |
0.742 |
2 |
0 |
0 |
0.000 |
18 |
|
C |
16 |
6 |
9212 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
14 |
5 |
7404 |
119.0 |
-0.9 |
0.511 |
0 |
0 |
0 |
0.000 |
Average: |
171.1 |
0.1 |
0.626 |
1 |
0 |
0 |
0.000 |
7 |
19 |
|
[MPD]H:154 |
7 |
1 |
279 |
f |
H |
x,y,z |
1_555 |
32 |
16 |
7404 |
193.1 |
-12.4 |
0.586 |
1 |
0 |
0 |
0.825 |
20 |
|
[MPD]D:154 |
7 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
31 |
15 |
7530 |
189.4 |
-12.3 |
0.607 |
1 |
0 |
0 |
0.825 |
21 |
|
[MPD]B:154 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
7452 |
187.7 |
-12.3 |
0.600 |
1 |
0 |
0 |
0.825 |
Average: |
190.1 |
-12.3 |
0.598 |
1 |
0 |
0 |
0.825 |
8 |
22 |
|
[MPD]F:154 |
7 |
1 |
279 |
f |
F |
x,y,z |
1_555 |
31 |
14 |
7442 |
186.5 |
-13.0 |
0.512 |
1 |
0 |
0 |
0.577 |
9 |
23 |
|
[MRD]G:155 |
8 |
1 |
277 |
f |
G |
x,y,z |
1_555 |
34 |
15 |
9289 |
168.2 |
2.5 |
0.589 |
2 |
0 |
0 |
0.000 |
24 |
|
[MRD]E:156 |
7 |
1 |
280 |
f |
E |
x,y,z |
1_555 |
32 |
15 |
9320 |
167.9 |
2.4 |
0.510 |
2 |
0 |
0 |
0.000 |
25 |
|
[MRD]A:154 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
9346 |
166.0 |
2.6 |
0.554 |
2 |
0 |
0 |
0.000 |
26 |
|
[MRD]C:155 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
32 |
14 |
9212 |
164.9 |
2.5 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
166.7 |
2.5 |
0.542 |
2 |
0 |
0 |
0.000 |
10 |
27 |
|
[MRD]E:154 |
7 |
1 |
277 |
f |
E |
x,y,z |
1_555 |
24 |
11 |
9320 |
156.7 |
2.6 |
0.501 |
0 |
0 |
0 |
0.000 |
11 |
28 |
|
[MPD]A:155 |
8 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
9346 |
156.4 |
-10.3 |
0.639 |
0 |
0 |
0 |
0.726 |
12 |
29 |
|
[MRD]G:156 |
7 |
1 |
276 |
f |
G |
x,y,z |
1_555 |
25 |
11 |
9289 |
155.4 |
2.0 |
0.516 |
0 |
0 |
0 |
0.000 |
30 |
|
[MRD]C:154 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
9212 |
155.2 |
2.0 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
155.3 |
2.0 |
0.494 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
[MRD]E:155 |
7 |
1 |
275 |
f |
E |
x,y,z |
1_555 |
21 |
9 |
9320 |
140.0 |
1.9 |
0.452 |
1 |
0 |
0 |
0.000 |
14 |
32 |
|
[MRD]A:156 |
6 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
9346 |
136.0 |
1.8 |
0.414 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
[MRD]C:156 |
7 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
9212 |
134.1 |
1.9 |
0.391 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
[MRD]G:154 |
7 |
1 |
272 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
9289 |
127.2 |
1.6 |
0.364 |
1 |
0 |
0 |
0.000 |
17 |
35 |
|
[MPD]F:155 |
7 |
1 |
275 |
f |
F |
x,y,z |
1_555 |
22 |
8 |
7442 |
124.6 |
-7.6 |
0.783 |
2 |
0 |
0 |
0.364 |
18 |
36 |
|
[EDO]F:158 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
7442 |
109.2 |
3.7 |
0.497 |
2 |
0 |
0 |
0.000 |
19 |
37 |
|
[EDO]B:158 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
7452 |
108.6 |
3.7 |
0.490 |
2 |
0 |
0 |
0.000 |
20 |
38 |
|
[EDO]C:158 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9212 |
103.5 |
3.7 |
0.522 |
2 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:157 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
9346 |
102.8 |
3.5 |
0.511 |
2 |
0 |
0 |
0.000 |
40 |
|
[EDO]G:158 |
4 |
1 |
182 |
f |
G |
x,y,z |
1_555 |
18 |
6 |
9289 |
102.1 |
3.6 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
102.8 |
3.6 |
0.516 |
2 |
0 |
0 |
0.000 |
21 |
41 |
|
[MPD]F:155 |
7 |
1 |
275 |
◊ |
G |
-x,y-1/2,-z+3 |
2_548 |
16 |
5 |
9289 |
103.2 |
-6.0 |
0.709 |
0 |
0 |
0 |
0.013 |
22 |
42 |
|
[EDO]E:159 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
18 |
6 |
9320 |
101.4 |
3.5 |
0.515 |
2 |
0 |
0 |
0.000 |
23 |
43 |
|
[EDO]H:155 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
18 |
11 |
7404 |
100.5 |
2.3 |
0.541 |
3 |
0 |
0 |
0.000 |
44 |
|
[EDO]B:157 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
7452 |
98.5 |
2.3 |
0.384 |
3 |
0 |
0 |
0.000 |
Average: |
99.5 |
2.3 |
0.462 |
3 |
0 |
0 |
0.000 |
24 |
45 |
|
[EDO]G:157 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
9289 |
100.3 |
3.3 |
0.517 |
3 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:158 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9346 |
99.6 |
3.3 |
0.516 |
3 |
0 |
0 |
0.000 |
Average: |
99.9 |
3.3 |
0.516 |
3 |
0 |
0 |
0.000 |
25 |
47 |
|
[EDO]C:157 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
9212 |
100.1 |
3.3 |
0.519 |
3 |
0 |
0 |
0.000 |
48 |
|
[EDO]E:157 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
9320 |
99.9 |
3.3 |
0.515 |
3 |
0 |
0 |
0.000 |
Average: |
100.0 |
3.3 |
0.517 |
3 |
0 |
0 |
0.000 |
26 |
49 |
|
[EDO]D:155 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
7530 |
99.9 |
2.4 |
0.384 |
3 |
0 |
0 |
0.000 |
50 |
|
[EDO]F:156 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
18 |
11 |
7442 |
98.4 |
2.2 |
0.378 |
2 |
0 |
0 |
0.000 |
Average: |
99.2 |
2.3 |
0.381 |
3 |
0 |
0 |
0.000 |
27 |
51 |
|
[EDO]B:156 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
7452 |
96.7 |
1.9 |
0.235 |
3 |
0 |
0 |
0.000 |
28 |
52 |
|
[EDO]H:156 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
7404 |
96.4 |
1.9 |
0.240 |
4 |
0 |
0 |
0.000 |
29 |
53 |
|
[EDO]D:156 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
8 |
7530 |
96.0 |
1.9 |
0.234 |
2 |
0 |
0 |
0.000 |
30 |
54 |
|
[EDO]G:159 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
16 |
6 |
9289 |
96.0 |
2.8 |
0.472 |
1 |
0 |
0 |
0.000 |
31 |
55 |
|
[EDO]F:157 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
7442 |
95.2 |
1.8 |
0.244 |
4 |
0 |
0 |
0.000 |
32 |
56 |
|
[EDO]G:161 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
9289 |
93.1 |
2.4 |
0.472 |
1 |
0 |
0 |
0.000 |
33 |
57 |
|
C |
14 |
4 |
9212 |
◊ |
[EDO]B:160 |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
186 |
87.1 |
2.0 |
0.473 |
1 |
0 |
0 |
0.000 |
34 |
58 |
|
C |
13 |
4 |
9212 |
◊ |
[EDO]D:157 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
184 |
81.5 |
3.0 |
0.507 |
1 |
0 |
0 |
0.000 |
35 |
59 |
|
[EDO]E:160 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
9320 |
81.0 |
2.9 |
0.497 |
2 |
0 |
0 |
0.000 |
36 |
60 |
|
[EDO]A:159 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
9346 |
80.4 |
2.9 |
0.500 |
1 |
0 |
0 |
0.000 |
37 |
61 |
|
[EDO]G:160 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
13 |
4 |
9289 |
77.7 |
2.7 |
0.295 |
1 |
0 |
0 |
0.000 |
38 |
62 |
|
[EDO]E:158 |
4 |
1 |
181 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
9320 |
73.2 |
1.9 |
0.231 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[EDO]B:159 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7452 |
73.2 |
2.1 |
0.543 |
1 |
0 |
0 |
0.000 |
40 |
64 |
|
C |
11 |
3 |
9212 |
◊ |
[EDO]D:158 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
183 |
72.0 |
1.9 |
0.502 |
0 |
0 |
0 |
0.000 |
41 |
65 |
|
[EDO]B:155 |
3 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
10 |
3 |
9346 |
71.9 |
1.8 |
0.465 |
0 |
0 |
0 |
0.000 |
42 |
66 |
|
[EDO]E:158 |
4 |
1 |
181 |
◊ |
H |
-x-1,y-1/2,-z+3 |
2_448 |
12 |
6 |
7404 |
71.4 |
1.5 |
0.258 |
1 |
0 |
0 |
0.000 |
43 |
67 |
|
[EDO]D:158 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
7530 |
71.0 |
1.1 |
0.736 |
1 |
0 |
0 |
0.000 |
44 |
68 |
|
[EDO]B:155 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
7452 |
68.9 |
2.3 |
0.935 |
2 |
0 |
0 |
0.000 |
45 |
69 |
|
[EDO]G:161 |
4 |
1 |
185 |
f |
H |
-x,y-1/2,-z+3 |
2_548 |
10 |
3 |
7404 |
59.4 |
1.5 |
0.792 |
2 |
0 |
0 |
0.000 |
70 |
|
[EDO]B:160 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7452 |
53.0 |
1.2 |
0.777 |
2 |
0 |
0 |
0.000 |
Average: |
56.2 |
1.4 |
0.785 |
2 |
0 |
0 |
0.000 |
46 |
71 |
|
F |
6 |
4 |
7442 |
f |
[EDO]G:160 |
-x,y-1/2,-z+3 |
2_548 |
4 |
1 |
184 |
55.3 |
1.3 |
0.926 |
2 |
0 |
0 |
0.000 |
47 |
72 |
|
B |
5 |
4 |
7452 |
f |
[EDO]A:159 |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
185 |
53.2 |
1.3 |
0.929 |
2 |
0 |
0 |
0.000 |
48 |
73 |
|
[EDO]D:157 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
7530 |
49.9 |
1.3 |
0.926 |
2 |
0 |
0 |
0.000 |
49 |
74 |
|
[EDO]E:160 |
3 |
1 |
186 |
f |
H |
-x-1,y-1/2,-z+3 |
2_448 |
6 |
4 |
7404 |
46.9 |
1.2 |
0.917 |
2 |
0 |
0 |
0.000 |
50 |
75 |
|
[MRD]C:156 |
3 |
1 |
275 |
f |
[MRD]C:154 |
x,y,z |
1_555 |
3 |
1 |
277 |
45.8 |
0.9 |
0.329 |
0 |
0 |
0 |
0.000 |
51 |
76 |
|
[MRD]E:156 |
5 |
1 |
280 |
f |
[MRD]E:154 |
x,y,z |
1_555 |
5 |
1 |
277 |
44.4 |
1.9 |
0.239 |
2 |
0 |
0 |
0.000 |
52 |
77 |
|
[MRD]G:156 |
6 |
1 |
276 |
f |
[MRD]G:155 |
x,y,z |
1_555 |
5 |
1 |
277 |
43.6 |
0.7 |
0.217 |
2 |
0 |
0 |
0.068 |
78 |
|
[MRD]C:155 |
5 |
1 |
277 |
f |
[MRD]C:154 |
x,y,z |
1_555 |
5 |
1 |
277 |
42.8 |
0.9 |
0.187 |
2 |
0 |
0 |
0.068 |
Average: |
43.2 |
0.8 |
0.202 |
2 |
0 |
0 |
0.068 |
53 |
79 |
|
[MPD]A:155 |
6 |
1 |
279 |
f |
[MRD]A:154 |
x,y,z |
1_555 |
5 |
1 |
278 |
43.3 |
-1.2 |
0.511 |
2 |
0 |
0 |
0.143 |
54 |
80 |
|
E |
4 |
1 |
9320 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
9346 |
42.6 |
0.9 |
0.867 |
1 |
2 |
0 |
0.000 |
55 |
81 |
|
[MPD]A:155 |
4 |
1 |
279 |
f |
[MRD]A:156 |
x,y,z |
1_555 |
3 |
1 |
275 |
42.0 |
-1.3 |
0.584 |
0 |
0 |
0 |
0.090 |
56 |
82 |
|
[MRD]E:155 |
3 |
1 |
275 |
f |
[MRD]E:154 |
x,y,z |
1_555 |
3 |
1 |
277 |
41.0 |
-0.4 |
0.206 |
2 |
0 |
0 |
0.472 |
57 |
83 |
|
[MRD]G:156 |
3 |
1 |
276 |
f |
[MRD]G:154 |
x,y,z |
1_555 |
3 |
1 |
272 |
40.8 |
0.2 |
0.289 |
0 |
0 |
0 |
0.000 |
58 |
84 |
|
[EDO]B:157 |
3 |
1 |
184 |
f |
[MPD]B:154 |
x,y,z |
1_555 |
4 |
1 |
278 |
40.6 |
-1.1 |
0.000 |
2 |
0 |
0 |
0.104 |
85 |
|
[EDO]H:155 |
3 |
1 |
184 |
f |
[MPD]H:154 |
x,y,z |
1_555 |
4 |
1 |
279 |
38.6 |
-1.0 |
0.000 |
2 |
0 |
0 |
0.104 |
Average: |
39.6 |
-1.1 |
0.000 |
2 |
0 |
0 |
0.104 |
59 |
86 |
|
[EDO]F:156 |
3 |
1 |
183 |
f |
[MPD]F:154 |
x,y,z |
1_555 |
4 |
1 |
279 |
39.6 |
-1.1 |
0.000 |
2 |
0 |
0 |
0.085 |
60 |
87 |
|
[EDO]D:155 |
3 |
1 |
184 |
f |
[MPD]D:154 |
x,y,z |
1_555 |
4 |
1 |
278 |
39.4 |
-1.2 |
0.000 |
2 |
0 |
0 |
0.132 |
61 |
88 |
|
C |
6 |
3 |
9212 |
f |
[EDO]B:159 |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
184 |
34.4 |
0.4 |
0.625 |
0 |
0 |
0 |
0.000 |
62 |
89 |
|
C |
3 |
1 |
9212 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
9289 |
32.8 |
0.5 |
0.814 |
1 |
1 |
0 |
0.000 |
63 |
90 |
|
A |
3 |
1 |
9346 |
◊ |
H |
x,y,z-1 |
1_554 |
1 |
1 |
7404 |
32.2 |
-1.0 |
0.088 |
0 |
0 |
0 |
0.000 |
91 |
|
F |
3 |
1 |
7442 |
◊ |
C |
x-1,y,z+1 |
1_456 |
1 |
1 |
9212 |
25.4 |
-0.8 |
0.144 |
0 |
0 |
0 |
0.000 |
Average: |
28.8 |
-0.9 |
0.116 |
0 |
0 |
0 |
0.000 |
64 |
92 |
|
[EDO]B:160 |
3 |
1 |
186 |
◊ |
[EDO]B:159 |
x,y,z |
1_555 |
2 |
1 |
184 |
29.4 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
65 |
93 |
|
[EDO]G:159 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
7452 |
28.8 |
0.7 |
0.896 |
0 |
0 |
0 |
0.000 |
66 |
94 |
|
[MRD]A:156 |
4 |
1 |
275 |
f |
[MRD]A:154 |
x,y,z |
1_555 |
2 |
1 |
278 |
25.8 |
1.6 |
0.426 |
0 |
0 |
0 |
0.000 |
67 |
95 |
|
[MRD]C:156 |
4 |
1 |
275 |
f |
[MRD]C:155 |
x,y,z |
1_555 |
2 |
1 |
277 |
24.4 |
1.1 |
0.300 |
0 |
0 |
0 |
0.000 |
68 |
96 |
|
[MRD]G:155 |
2 |
1 |
277 |
f |
[MRD]G:154 |
x,y,z |
1_555 |
4 |
1 |
272 |
24.3 |
0.1 |
0.283 |
0 |
0 |
0 |
0.000 |
69 |
97 |
|
[MRD]E:156 |
2 |
1 |
280 |
f |
[MRD]E:155 |
x,y,z |
1_555 |
4 |
1 |
275 |
23.0 |
1.4 |
0.386 |
0 |
0 |
0 |
0.000 |
70 |
98 |
|
[EDO]D:156 |
2 |
1 |
184 |
f |
A |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
9346 |
17.1 |
0.6 |
0.943 |
0 |
0 |
0 |
0.000 |
71 |
99 |
|
G |
1 |
1 |
9289 |
◊ |
[EDO]H:156 |
-x,y-1/2,-z+3 |
2_548 |
2 |
1 |
184 |
16.4 |
0.7 |
0.941 |
0 |
0 |
0 |
0.000 |
72 |
100 |
|
[EDO]F:157 |
2 |
1 |
183 |
◊ |
E |
-x-1,y-1/2,-z+3 |
2_448 |
1 |
1 |
9320 |
16.3 |
0.6 |
0.941 |
0 |
0 |
0 |
0.000 |
73 |
101 |
|
C |
1 |
1 |
9212 |
f |
[EDO]B:156 |
-x,y-1/2,-z+2 |
2_547 |
2 |
1 |
183 |
13.8 |
0.5 |
0.932 |
0 |
0 |
0 |
0.000 |
74 |
102 |
|
F |
2 |
2 |
7442 |
◊ |
H |
x,y-1,z |
1_545 |
2 |
2 |
7404 |
10.7 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
103 |
|
B |
2 |
2 |
7452 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
7530 |
10.7 |
0.6 |
0.861 |
0 |
0 |
0 |
0.000 |
Average: |
10.7 |
0.5 |
0.839 |
0 |
0 |
0 |
0.000 |
75 |
104 |
|
[MPD]F:155 |
2 |
1 |
275 |
◊ |
H |
x,y-1,z |
1_545 |
2 |
1 |
7404 |
8.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
105 |
|
B |
2 |
1 |
7452 |
f |
[EDO]D:158 |
x-1,y,z |
1_455 |
1 |
1 |
183 |
8.3 |
0.6 |
0.931 |
0 |
0 |
0 |
0.000 |
77 |
106 |
|
[EDO]B:155 |
1 |
1 |
184 |
f |
D |
x-1,y,z |
1_455 |
1 |
1 |
7530 |
5.9 |
0.4 |
0.945 |
0 |
0 |
0 |
0.000 |
78 |
107 |
|
F |
1 |
1 |
7442 |
f |
[EDO]E:158 |
-x-1,y-1/2,-z+3 |
2_448 |
1 |
1 |
181 |
3.9 |
0.2 |
0.915 |
0 |
0 |
0 |
0.000 |
|