## |
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 |
65 |
16 |
12308 |
◊ |
B |
x-1,-y,-z |
3_455 |
58 |
19 |
12403 |
588.4 |
-3.3 |
0.573 |
6 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
52 |
18 |
12403 |
◊ |
A |
x,y,z |
1_555 |
52 |
18 |
12308 |
452.3 |
-4.7 |
0.396 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
52 |
18 |
12308 |
◊ |
B |
x-1/2,-y-1/2,-z |
7_445 |
37 |
15 |
12403 |
445.1 |
-1.9 |
0.562 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
47 |
16 |
12308 |
◊ |
A |
-x-2,y,-z+1/2 |
4_355 |
47 |
16 |
12308 |
443.9 |
-4.1 |
0.384 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
17 |
5 |
12308 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
7 |
12403 |
175.5 |
-2.2 |
0.357 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
19 |
5 |
12403 |
◊ |
B |
x,-y,-z |
3_555 |
19 |
5 |
12403 |
174.5 |
-1.8 |
0.439 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
15 |
6 |
12308 |
x |
A |
x-1,y,z |
1_455 |
16 |
6 |
12308 |
154.2 |
-0.8 |
0.572 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
5 |
2 |
12403 |
x |
B |
x-1,y,z |
1_455 |
10 |
5 |
12403 |
64.1 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
Average: |
109.2 |
-0.3 |
0.650 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
19 |
6 |
12308 |
x |
A |
x-1/2,-y-1/2,-z |
7_445 |
19 |
5 |
12308 |
153.1 |
-2.0 |
0.398 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
16 |
9 |
12308 |
◊ |
A |
-x-1,y,-z+1/2 |
4_455 |
18 |
10 |
12308 |
143.4 |
-0.5 |
0.635 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:312 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
12403 |
126.5 |
3.2 |
0.464 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:308 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
12308 |
117.2 |
2.6 |
0.426 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
12308 |
109.4 |
2.7 |
0.447 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:303 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
21 |
11 |
12308 |
108.3 |
3.3 |
0.700 |
3 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:304 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
12403 |
107.5 |
4.0 |
0.738 |
6 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:313 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12403 |
107.3 |
2.9 |
0.459 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:302 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
12308 |
105.8 |
3.7 |
0.524 |
5 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
11 |
12403 |
103.4 |
3.9 |
0.676 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:314 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
12308 |
101.9 |
2.2 |
0.357 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:301 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
12308 |
99.6 |
2.6 |
0.683 |
3 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:303 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
12403 |
95.8 |
2.3 |
0.292 |
2 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]A:309 |
4 |
1 |
185 |
◊ |
B |
x-1,-y,-z |
3_455 |
11 |
7 |
12403 |
95.8 |
2.9 |
0.504 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]A:320 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12308 |
95.4 |
2.6 |
0.493 |
3 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]A:313 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12308 |
95.2 |
2.3 |
0.466 |
2 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]A:316 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
12308 |
91.9 |
3.0 |
0.531 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]A:328 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
12308 |
91.6 |
2.7 |
0.310 |
3 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]A:317 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
12308 |
91.6 |
2.7 |
0.299 |
2 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]A:322 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
12308 |
90.7 |
3.5 |
0.564 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
12403 |
90.5 |
1.9 |
0.272 |
3 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]B:314 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12403 |
88.4 |
2.1 |
0.404 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]A:306 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12308 |
88.1 |
2.0 |
0.265 |
2 |
0 |
0 |
0.000 |
31 |
32 |
|
A |
15 |
6 |
12308 |
◊ |
[EDO]B:311 |
x-1,-y,-z |
3_455 |
4 |
1 |
184 |
81.4 |
2.3 |
0.270 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]A:321 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12308 |
79.1 |
1.4 |
0.784 |
3 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:310 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12308 |
78.2 |
1.5 |
0.759 |
2 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]A:319 |
4 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12308 |
77.5 |
2.3 |
0.294 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12308 |
76.4 |
1.7 |
0.274 |
1 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:323 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
12308 |
76.2 |
1.5 |
0.246 |
1 |
0 |
0 |
0.000 |
37 |
38 |
|
[EDO]A:325 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
12308 |
76.0 |
1.6 |
0.742 |
1 |
0 |
0 |
0.000 |
38 |
39 |
|
[EDO]A:312 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12308 |
75.2 |
1.6 |
0.269 |
2 |
0 |
0 |
0.000 |
39 |
40 |
|
[EDO]A:327 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12403 |
75.1 |
2.1 |
0.268 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[EDO]B:308 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
12403 |
73.9 |
2.0 |
0.302 |
2 |
0 |
0 |
0.000 |
41 |
42 |
|
[EDO]B:309 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12403 |
73.7 |
1.4 |
0.704 |
2 |
0 |
0 |
0.000 |
42 |
43 |
|
[EDO]B:310 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
12403 |
73.7 |
1.9 |
0.268 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[EDO]A:318 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
12308 |
71.4 |
1.7 |
0.741 |
1 |
0 |
0 |
0.000 |
44 |
45 |
|
[EDO]A:307 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12308 |
70.7 |
1.9 |
0.296 |
1 |
0 |
0 |
0.000 |
45 |
46 |
|
[EDO]A:315 |
4 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
11 |
5 |
12308 |
69.9 |
0.6 |
0.594 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[EDO]A:311 |
3 |
1 |
184 |
◊ |
A |
-x-2,y,-z+1/2 |
4_355 |
14 |
4 |
12308 |
68.4 |
2.0 |
0.551 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[EDO]A:327 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12308 |
68.0 |
1.1 |
0.699 |
1 |
0 |
0 |
0.000 |
48 |
49 |
|
[EDO]B:311 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12403 |
65.4 |
1.5 |
0.824 |
1 |
0 |
0 |
0.000 |
49 |
50 |
|
[EDO]A:324 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12308 |
62.9 |
1.1 |
0.676 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
-x-1,y,-z+1/2 |
4_455 |
10 |
3 |
12308 |
60.8 |
1.1 |
0.715 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[EDO]A:326 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12308 |
58.7 |
0.7 |
0.604 |
1 |
0 |
0 |
0.000 |
52 |
53 |
|
[EDO]B:306 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
12403 |
56.9 |
1.4 |
0.867 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[EDO]A:315 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
12308 |
55.8 |
2.1 |
0.300 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[CL]A:330 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12308 |
55.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[CL]B:315 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12403 |
53.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[EDO]A:309 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12308 |
52.2 |
1.5 |
0.896 |
1 |
0 |
0 |
0.000 |
57 |
58 |
|
[EDO]A:311 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12308 |
50.8 |
0.9 |
0.775 |
2 |
0 |
0 |
0.000 |
58 |
59 |
|
[EDO]A:321 |
3 |
1 |
183 |
◊ |
A |
-x-2,y,-z+1/2 |
4_355 |
10 |
3 |
12308 |
50.8 |
1.1 |
0.734 |
1 |
0 |
0 |
0.000 |
59 |
60 |
|
[EDO]B:302 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12403 |
49.7 |
1.7 |
0.912 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
[CL]A:329 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12308 |
47.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[EDO]B:307 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12403 |
46.6 |
1.8 |
0.950 |
1 |
0 |
0 |
0.000 |
62 |
63 |
|
[EDO]A:307 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y-1/2,-z |
7_445 |
5 |
1 |
12403 |
38.4 |
0.8 |
0.820 |
1 |
0 |
0 |
0.000 |
63 |
64 |
|
[EDO]A:324 |
2 |
1 |
183 |
f |
[EDO]A:323 |
x,y,z |
1_555 |
3 |
1 |
183 |
34.7 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[EDO]A:312 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12403 |
34.2 |
1.6 |
0.965 |
0 |
0 |
0 |
0.000 |
65 |
66 |
|
[EDO]A:318 |
2 |
1 |
184 |
◊ |
[EDO]A:317 |
x,y,z |
1_555 |
3 |
1 |
182 |
30.9 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
67 |
|
[CL]A:329 |
1 |
1 |
125 |
◊ |
B |
x-1/2,-y-1/2,-z |
7_445 |
6 |
3 |
12403 |
30.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[EDO]A:303 |
4 |
1 |
182 |
f |
[EDO]A:301 |
x,y,z |
1_555 |
3 |
1 |
186 |
30.6 |
1.1 |
1.000 |
2 |
0 |
0 |
0.000 |
68 |
69 |
|
[EDO]B:308 |
2 |
1 |
181 |
f |
[EDO]B:307 |
x,y,z |
1_555 |
2 |
1 |
185 |
30.2 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
70 |
|
[EDO]B:307 |
3 |
1 |
185 |
f |
[EDO]A:312 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.7 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
71 |
|
[EDO]A:305 |
2 |
1 |
185 |
◊ |
[EDO]A:304 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.3 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
71 |
72 |
|
[EDO]B:310 |
2 |
1 |
180 |
f |
[EDO]B:307 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.4 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
72 |
73 |
|
[EDO]B:309 |
3 |
1 |
184 |
f |
[EDO]B:305 |
x,y,z |
1_555 |
2 |
1 |
185 |
27.7 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
73 |
74 |
|
[EDO]B:308 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
12308 |
26.3 |
0.2 |
0.490 |
0 |
0 |
0 |
0.000 |
74 |
75 |
|
[CL]A:330 |
1 |
1 |
125 |
◊ |
[EDO]A:311 |
-x-2,y,-z+1/2 |
4_355 |
2 |
1 |
184 |
26.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[CL]A:329 |
1 |
1 |
125 |
◊ |
[EDO]A:301 |
x,y,z |
1_555 |
2 |
1 |
186 |
17.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
21.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
77 |
|
[EDO]A:307 |
2 |
1 |
185 |
◊ |
[EDO]B:302 |
x-1/2,-y-1/2,-z |
7_445 |
2 |
1 |
185 |
25.4 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
76 |
78 |
|
[EDO]B:308 |
2 |
1 |
181 |
f |
[EDO]A:312 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.0 |
1.5 |
0.707 |
0 |
0 |
0 |
0.000 |
77 |
79 |
|
[EDO]B:314 |
1 |
1 |
185 |
f |
[EDO]B:313 |
x,y,z |
1_555 |
2 |
1 |
183 |
24.4 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
78 |
80 |
|
[EDO]A:322 |
3 |
1 |
183 |
f |
A |
-x-2,y,-z+1/2 |
4_355 |
2 |
1 |
12308 |
24.4 |
-0.0 |
0.445 |
0 |
0 |
0 |
0.000 |
79 |
81 |
|
[EDO]B:309 |
1 |
1 |
184 |
f |
[EDO]B:304 |
x,y,z |
1_555 |
2 |
1 |
186 |
22.5 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
80 |
82 |
|
[EDO]A:317 |
2 |
1 |
182 |
f |
[EDO]A:311 |
x,y,z |
1_555 |
3 |
1 |
184 |
22.3 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
81 |
83 |
|
[CL]B:315 |
1 |
1 |
125 |
f |
[EDO]B:309 |
x,y,z |
1_555 |
2 |
1 |
184 |
22.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
84 |
|
[CL]A:329 |
1 |
1 |
125 |
f |
[EDO]A:307 |
x,y,z |
1_555 |
3 |
1 |
185 |
20.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
85 |
|
[EDO]A:306 |
3 |
1 |
184 |
f |
B |
x-1/2,-y-1/2,-z |
7_445 |
4 |
3 |
12403 |
19.7 |
0.7 |
0.873 |
0 |
0 |
0 |
0.000 |
84 |
86 |
|
[EDO]A:321 |
2 |
1 |
183 |
◊ |
[EDO]A:318 |
x,y,z |
1_555 |
2 |
1 |
184 |
18.8 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
85 |
87 |
|
[EDO]A:301 |
2 |
1 |
186 |
f |
B |
x-1/2,-y-1/2,-z |
7_445 |
1 |
1 |
12403 |
16.5 |
0.3 |
0.335 |
0 |
0 |
0 |
0.000 |
86 |
88 |
|
[EDO]A:307 |
2 |
1 |
185 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
16.1 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
87 |
89 |
|
[EDO]B:310 |
2 |
1 |
180 |
f |
[EDO]B:308 |
x,y,z |
1_555 |
1 |
1 |
181 |
15.6 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
88 |
90 |
|
[EDO]A:318 |
3 |
1 |
184 |
f |
A |
-x-2,y,-z+1/2 |
4_355 |
3 |
2 |
12308 |
14.3 |
0.2 |
0.618 |
0 |
0 |
0 |
0.000 |
89 |
91 |
|
[EDO]A:325 |
1 |
1 |
183 |
f |
[EDO]A:324 |
x,y,z |
1_555 |
2 |
1 |
183 |
12.4 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
90 |
92 |
|
[EDO]A:316 |
1 |
1 |
186 |
f |
A |
x-1,y,z |
1_455 |
2 |
2 |
12308 |
10.3 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
91 |
93 |
|
[CL]A:329 |
1 |
1 |
125 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
10.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
92 |
94 |
|
[CL]A:330 |
1 |
1 |
125 |
◊ |
A |
-x-2,y,-z+1/2 |
4_355 |
2 |
1 |
12308 |
7.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
93 |
95 |
|
[EDO]B:313 |
1 |
1 |
183 |
f |
[EDO]B:312 |
x,y,z |
1_555 |
2 |
1 |
183 |
4.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
94 |
96 |
|
[EDO]A:313 |
1 |
1 |
186 |
f |
[EDO]A:312 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
95 |
97 |
|
[EDO]A:314 |
1 |
1 |
182 |
f |
B |
x-1,-y,-z |
3_455 |
1 |
1 |
12403 |
2.1 |
0.1 |
0.897 |
0 |
0 |
0 |
0.000 |
96 |
98 |
|
[EDO]A:305 |
1 |
1 |
185 |
f |
A |
-x-1,y,-z+1/2 |
4_455 |
1 |
1 |
12308 |
1.8 |
0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
97 |
99 |
|
A |
1 |
1 |
12308 |
f |
[EDO]B:306 |
x-1,-y,-z |
3_455 |
1 |
1 |
182 |
1.5 |
0.1 |
0.881 |
0 |
0 |
0 |
0.000 |
98 |
100 |
|
[EDO]A:308 |
1 |
1 |
185 |
f |
[EDO]A:307 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
99 |
101 |
|
[EDO]B:305 |
1 |
1 |
185 |
f |
[EDO]B:304 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.9 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
100 |
102 |
|
[EDO]B:303 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
12308 |
0.9 |
0.0 |
0.826 |
0 |
0 |
0 |
0.000 |
101 |
103 |
|
[EDO]A:302 |
1 |
1 |
186 |
◊ |
[EDO]A:301 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
102 |
104 |
|
[EDO]B:303 |
1 |
1 |
184 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
103 |
105 |
|
[EDO]A:326 |
1 |
1 |
181 |
f |
[EDO]A:324 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|