## |
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 |
176 |
50 |
11943 |
◊ |
A |
x,y,z |
1_555 |
158 |
50 |
12137 |
1733.8 |
-37.0 |
0.019 |
7 |
2 |
0 |
0.856 |
2 |
|
C |
162 |
50 |
11885 |
◊ |
A |
x,y,z |
1_555 |
175 |
49 |
12137 |
1731.6 |
-36.4 |
0.028 |
9 |
3 |
0 |
0.856 |
3 |
|
C |
173 |
50 |
11885 |
◊ |
B |
x,y,z |
1_555 |
162 |
52 |
11943 |
1699.0 |
-35.4 |
0.030 |
7 |
2 |
0 |
0.856 |
Average: |
1721.5 |
-36.2 |
0.026 |
8 |
2 |
0 |
0.856 |
2 |
4 |
|
B |
39 |
13 |
11943 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
37 |
12 |
11885 |
368.0 |
1.0 |
0.903 |
5 |
0 |
0 |
0.000 |
5 |
|
A |
39 |
13 |
12137 |
◊ |
A |
-x,y,-z |
2_555 |
39 |
13 |
12137 |
339.8 |
1.5 |
0.901 |
5 |
0 |
0 |
0.000 |
Average: |
353.9 |
1.3 |
0.902 |
5 |
0 |
0 |
0.000 |
3 |
6 |
|
A |
36 |
14 |
12137 |
◊ |
B |
x,y-1,z |
1_545 |
35 |
11 |
11943 |
294.8 |
-1.2 |
0.748 |
2 |
0 |
0 |
0.000 |
7 |
|
C |
32 |
14 |
11885 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
35 |
11 |
12137 |
278.9 |
-1.0 |
0.760 |
1 |
0 |
0 |
0.000 |
8 |
|
C |
35 |
11 |
11885 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
33 |
14 |
11943 |
266.3 |
-1.0 |
0.771 |
1 |
0 |
0 |
0.000 |
Average: |
280.0 |
-1.1 |
0.760 |
1 |
0 |
0 |
0.000 |
4 |
9 |
|
[2PE]A:207 |
23 |
1 |
713 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
12137 |
238.8 |
0.7 |
0.595 |
5 |
0 |
0 |
0.022 |
5 |
10 |
|
[2PE]A:207 |
18 |
1 |
713 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
11943 |
164.9 |
-1.2 |
0.432 |
0 |
0 |
0 |
0.009 |
6 |
11 |
|
[P4G]B:211 |
11 |
1 |
368 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
11885 |
123.7 |
4.1 |
0.061 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[P4G]A:208 |
8 |
1 |
383 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
12137 |
122.1 |
3.3 |
0.116 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[P4G]A:208 |
8 |
1 |
383 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
11885 |
118.0 |
3.0 |
0.113 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[EDO]A:202 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
12137 |
113.9 |
2.7 |
0.502 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]B:203 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
11943 |
113.9 |
3.2 |
0.523 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[PEG]A:210 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
12137 |
104.4 |
0.8 |
0.215 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[MPD]C:205 |
7 |
1 |
282 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
11885 |
99.2 |
-6.2 |
0.823 |
0 |
0 |
0 |
0.135 |
13 |
18 |
|
[PEG]A:209 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12137 |
97.4 |
3.0 |
0.388 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[MPD]B:210 |
6 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
11943 |
95.5 |
-6.0 |
0.812 |
2 |
0 |
0 |
0.113 |
15 |
20 |
|
[P4G]B:211 |
7 |
1 |
368 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11943 |
92.9 |
2.8 |
0.155 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[PEG]C:206 |
6 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11943 |
90.7 |
2.6 |
0.486 |
2 |
0 |
0 |
0.000 |
17 |
22 |
|
[CIT]A:206 |
9 |
1 |
316 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11943 |
83.7 |
0.2 |
0.442 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]B:207 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
11943 |
83.3 |
1.9 |
0.306 |
4 |
0 |
0 |
0.000 |
19 |
24 |
|
[2PE]A:207 |
9 |
1 |
713 |
◊ |
A |
-x,y,-z |
2_555 |
13 |
4 |
12137 |
82.0 |
-0.6 |
0.485 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
[CIT]A:206 |
9 |
1 |
316 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
12137 |
81.7 |
-0.0 |
0.456 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]B:206 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
11943 |
79.8 |
1.9 |
0.292 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]B:208 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11943 |
76.0 |
1.2 |
0.260 |
2 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]B:201 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11943 |
74.7 |
1.1 |
0.741 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[PO4]A:204 |
5 |
1 |
194 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12137 |
73.0 |
-5.0 |
0.687 |
1 |
0 |
0 |
0.078 |
25 |
30 |
|
[EDO]C:203 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11943 |
72.5 |
1.0 |
0.690 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[CIT]A:206 |
6 |
1 |
316 |
f |
A |
-x,y,-z |
2_555 |
11 |
4 |
12137 |
71.6 |
-0.8 |
0.378 |
1 |
0 |
0 |
0.017 |
27 |
32 |
|
[EDO]C:203 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
11885 |
71.4 |
1.8 |
0.860 |
2 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11943 |
67.9 |
1.1 |
0.747 |
1 |
0 |
0 |
0.000 |
29 |
34 |
|
[2PE]A:207 |
8 |
1 |
713 |
◊ |
[2PE]A:207 |
-x,y,-z |
2_555 |
8 |
1 |
713 |
67.4 |
1.1 |
0.531 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]B:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11943 |
66.8 |
1.6 |
0.807 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[PO4]B:209 |
5 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
11943 |
66.7 |
-3.9 |
0.811 |
0 |
0 |
0 |
0.064 |
32 |
37 |
|
[EDO]C:202 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
11885 |
66.4 |
0.9 |
0.737 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]B:204 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11885 |
65.6 |
1.5 |
0.845 |
2 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]B:204 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11943 |
60.5 |
1.2 |
0.791 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]C:201 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11885 |
59.3 |
1.2 |
0.845 |
1 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]B:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
12137 |
58.6 |
1.1 |
0.776 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[PO4]A:205 |
4 |
1 |
193 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12137 |
57.4 |
-3.8 |
0.715 |
0 |
0 |
0 |
0.055 |
38 |
43 |
|
[EDO]A:203 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
12137 |
56.4 |
1.0 |
0.783 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[PO4]C:204 |
4 |
1 |
195 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
11885 |
55.8 |
-3.7 |
0.708 |
1 |
0 |
0 |
0.089 |
40 |
45 |
|
[PEG]C:206 |
6 |
1 |
262 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
7 |
2 |
11885 |
54.6 |
0.6 |
0.218 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[MPD]B:210 |
5 |
1 |
282 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11885 |
53.2 |
-3.5 |
0.673 |
0 |
0 |
0 |
0.025 |
42 |
47 |
|
[PO4]A:205 |
4 |
1 |
193 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
11885 |
52.8 |
-3.2 |
0.688 |
0 |
0 |
0 |
0.023 |
43 |
48 |
|
[PO4]C:204 |
4 |
1 |
195 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
11943 |
51.9 |
-3.2 |
0.727 |
0 |
0 |
0 |
0.023 |
44 |
49 |
|
[EDO]A:203 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11943 |
51.8 |
0.9 |
0.737 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
A |
8 |
2 |
12137 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
11885 |
51.7 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
7 |
2 |
11943 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
11943 |
49.8 |
0.4 |
0.788 |
0 |
0 |
0 |
0.000 |
Average: |
50.8 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[MPD]C:205 |
3 |
1 |
282 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
12137 |
51.5 |
-3.5 |
0.601 |
0 |
0 |
0 |
0.025 |
47 |
53 |
|
[PEG]C:206 |
3 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11885 |
49.6 |
0.6 |
0.400 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
B |
8 |
2 |
11943 |
◊ |
[MPD]C:205 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
282 |
49.0 |
-2.4 |
0.770 |
1 |
0 |
0 |
0.000 |
49 |
55 |
|
[EDO]C:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12137 |
48.8 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
[EDO]B:207 |
3 |
1 |
185 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
6 |
4 |
11885 |
48.3 |
1.3 |
0.851 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[MPD]B:210 |
4 |
1 |
282 |
f |
[P4G]B:211 |
x,y,z |
1_555 |
4 |
1 |
368 |
46.3 |
-0.4 |
0.231 |
0 |
0 |
0 |
0.007 |
52 |
58 |
|
[PO4]B:209 |
4 |
1 |
193 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
11885 |
45.6 |
-3.0 |
0.736 |
0 |
0 |
0 |
0.021 |
53 |
59 |
|
[MPD]B:210 |
3 |
1 |
282 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
8 |
2 |
11885 |
44.7 |
-2.2 |
0.854 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[EDO]B:205 |
4 |
1 |
184 |
◊ |
A |
-x,y,-z |
2_555 |
9 |
3 |
12137 |
44.4 |
1.5 |
0.903 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[PO4]A:204 |
4 |
1 |
194 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
11885 |
38.4 |
-2.4 |
0.716 |
0 |
0 |
0 |
0.017 |
56 |
62 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12137 |
36.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.084 |
63 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11943 |
36.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.084 |
64 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
11885 |
35.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
36.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.084 |
57 |
65 |
|
[2PE]A:207 |
4 |
1 |
713 |
◊ |
[CIT]A:206 |
x,y,z |
1_555 |
4 |
1 |
316 |
34.7 |
0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[EDO]C:202 |
4 |
1 |
186 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
11885 |
34.3 |
0.7 |
0.809 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[PEG]A:209 |
4 |
1 |
260 |
◊ |
A |
-x,y,-z |
2_555 |
8 |
3 |
12137 |
33.9 |
0.9 |
0.314 |
1 |
0 |
0 |
0.000 |
60 |
68 |
|
[P4G]B:211 |
2 |
1 |
368 |
◊ |
[EDO]B:201 |
x,y,z |
1_555 |
3 |
1 |
185 |
33.6 |
1.9 |
0.610 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[MPD]C:205 |
2 |
1 |
282 |
f |
[P4G]A:208 |
x,y,z |
1_555 |
2 |
1 |
383 |
30.5 |
-0.2 |
0.468 |
0 |
0 |
0 |
0.004 |
62 |
70 |
|
[EDO]B:201 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
11885 |
30.4 |
0.4 |
0.538 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
[2PE]A:207 |
5 |
1 |
713 |
f |
[EDO]B:206 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.4 |
1.4 |
0.786 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
B |
3 |
1 |
11943 |
x |
A |
-x,y,-z |
2_555 |
5 |
2 |
12137 |
29.3 |
0.6 |
0.824 |
1 |
1 |
0 |
0.000 |
73 |
|
C |
3 |
3 |
11885 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
11885 |
13.1 |
-0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
74 |
|
B |
4 |
2 |
11943 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
12137 |
10.1 |
-0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
65 |
75 |
|
[PO4]C:204 |
3 |
1 |
195 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
5 |
3 |
11885 |
27.6 |
-1.8 |
0.738 |
0 |
0 |
0 |
0.000 |
66 |
76 |
|
[PEG]C:206 |
3 |
1 |
262 |
f |
[PO4]B:209 |
x,y,z |
1_555 |
3 |
1 |
193 |
27.1 |
-0.7 |
0.463 |
0 |
0 |
0 |
0.012 |
67 |
77 |
|
B |
4 |
3 |
11943 |
◊ |
[PO4]A:205 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
193 |
23.7 |
-1.3 |
0.758 |
0 |
0 |
0 |
0.000 |
68 |
78 |
|
[CIT]A:206 |
5 |
1 |
316 |
◊ |
[EDO]B:208 |
x,y,z |
1_555 |
2 |
1 |
186 |
22.4 |
1.4 |
0.709 |
0 |
0 |
0 |
0.000 |
69 |
79 |
|
[PEG]A:210 |
2 |
1 |
260 |
f |
[PO4]A:205 |
x,y,z |
1_555 |
3 |
1 |
193 |
21.1 |
-1.0 |
0.349 |
0 |
0 |
0 |
0.015 |
70 |
80 |
|
[MPD]B:210 |
3 |
1 |
282 |
◊ |
[PO4]C:204 |
x,y,z |
1_555 |
1 |
1 |
195 |
20.0 |
-2.0 |
0.000 |
1 |
0 |
0 |
0.018 |
71 |
81 |
|
[2PE]A:207 |
4 |
1 |
713 |
◊ |
[EDO]B:208 |
x,y,z |
1_555 |
2 |
1 |
186 |
19.3 |
0.4 |
0.636 |
0 |
0 |
0 |
0.000 |
72 |
82 |
|
[PEG]C:206 |
3 |
1 |
262 |
◊ |
[PO4]C:204 |
x,y,z |
1_555 |
4 |
1 |
195 |
18.2 |
-0.7 |
0.358 |
0 |
0 |
0 |
0.005 |
73 |
83 |
|
[EDO]C:203 |
2 |
1 |
188 |
f |
[EDO]B:201 |
x,y,z |
1_555 |
2 |
1 |
185 |
16.9 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
74 |
84 |
|
[P4G]B:211 |
2 |
1 |
368 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
11885 |
13.6 |
0.7 |
0.256 |
0 |
0 |
0 |
0.000 |
75 |
85 |
|
B |
1 |
1 |
11943 |
◊ |
[P4G]A:208 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
383 |
11.5 |
0.6 |
0.489 |
0 |
0 |
0 |
0.000 |
76 |
86 |
|
[MPD]C:205 |
2 |
1 |
282 |
◊ |
[PEG]A:210 |
x,y,z |
1_555 |
2 |
1 |
260 |
11.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
77 |
87 |
|
[MPD]C:205 |
3 |
1 |
282 |
◊ |
[PO4]A:205 |
x,y,z |
1_555 |
2 |
1 |
193 |
9.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
78 |
88 |
|
[EDO]B:205 |
2 |
1 |
184 |
◊ |
[EDO]A:203 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.6 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
79 |
89 |
|
[EDO]B:208 |
1 |
1 |
186 |
f |
[EDO]B:207 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
80 |
90 |
|
[PO4]B:209 |
1 |
1 |
193 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
11885 |
9.0 |
-0.4 |
0.785 |
0 |
0 |
0 |
0.000 |
81 |
91 |
|
[PO4]B:209 |
2 |
1 |
193 |
f |
[EDO]C:202 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.0 |
-0.3 |
0.980 |
0 |
0 |
0 |
0.005 |
82 |
92 |
|
[CIT]A:206 |
2 |
1 |
316 |
◊ |
[EDO]B:205 |
x,y,z |
1_555 |
2 |
1 |
184 |
7.7 |
0.4 |
0.553 |
0 |
0 |
0 |
0.000 |
83 |
93 |
|
[PEG]C:206 |
2 |
1 |
262 |
f |
[EDO]B:207 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.6 |
0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
84 |
94 |
|
[PEG]C:206 |
1 |
1 |
262 |
f |
[EDO]C:202 |
x,y,z |
1_555 |
2 |
1 |
186 |
6.3 |
-0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
85 |
95 |
|
[EDO]A:202 |
1 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
11885 |
5.6 |
0.3 |
0.933 |
0 |
0 |
0 |
0.000 |
86 |
96 |
|
[PEG]A:209 |
1 |
1 |
260 |
◊ |
[2PE]A:207 |
-x,y,-z |
2_555 |
1 |
1 |
713 |
3.2 |
-0.0 |
0.391 |
0 |
0 |
0 |
0.000 |
87 |
97 |
|
[EDO]B:203 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
12137 |
2.3 |
0.1 |
0.917 |
0 |
0 |
0 |
0.000 |
88 |
98 |
|
B |
1 |
1 |
11943 |
f |
[EDO]C:201 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
186 |
1.5 |
0.1 |
0.874 |
0 |
0 |
0 |
0.000 |
89 |
99 |
|
[EDO]A:203 |
1 |
1 |
185 |
f |
A |
-x,y,-z |
2_555 |
1 |
1 |
12137 |
0.7 |
0.0 |
0.860 |
0 |
0 |
0 |
0.000 |
|