## |
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 |
181 |
49 |
12205 |
◊ |
B |
x,y,z |
1_555 |
172 |
52 |
12162 |
1778.1 |
-35.9 |
0.047 |
8 |
3 |
0 |
0.661 |
2 |
|
C |
167 |
50 |
12205 |
◊ |
A |
x,y,z |
1_555 |
178 |
49 |
12181 |
1761.0 |
-36.9 |
0.033 |
8 |
3 |
0 |
0.661 |
3 |
|
B |
176 |
49 |
12162 |
◊ |
A |
x,y,z |
1_555 |
159 |
51 |
12181 |
1758.8 |
-37.7 |
0.021 |
8 |
3 |
0 |
0.661 |
Average: |
1766.0 |
-36.8 |
0.034 |
8 |
3 |
0 |
0.661 |
2 |
4 |
|
B |
37 |
12 |
12162 |
◊ |
B |
-x,y,-z |
2_555 |
38 |
12 |
12162 |
370.5 |
0.2 |
0.895 |
2 |
0 |
0 |
0.000 |
5 |
|
C |
38 |
13 |
12205 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
39 |
13 |
12181 |
358.6 |
-0.0 |
0.882 |
2 |
0 |
0 |
0.000 |
Average: |
364.6 |
0.1 |
0.888 |
2 |
0 |
0 |
0.000 |
3 |
6 |
|
A |
33 |
11 |
12181 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
37 |
14 |
12205 |
292.0 |
0.0 |
0.859 |
4 |
3 |
0 |
0.000 |
7 |
|
A |
36 |
14 |
12181 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
34 |
11 |
12162 |
281.8 |
-1.1 |
0.746 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
36 |
14 |
12162 |
◊ |
C |
x,y-1,z |
1_545 |
30 |
11 |
12205 |
267.1 |
-0.4 |
0.837 |
3 |
3 |
0 |
0.000 |
Average: |
280.3 |
-0.5 |
0.814 |
3 |
2 |
0 |
0.000 |
4 |
9 |
|
[P6G]B:208 |
16 |
1 |
544 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
12162 |
220.4 |
0.0 |
0.419 |
0 |
0 |
0 |
0.000 |
5 |
10 |
|
[P6G]B:207 |
14 |
1 |
478 |
f |
A |
x,y,z |
1_555 |
27 |
7 |
12181 |
154.8 |
-1.8 |
0.272 |
1 |
0 |
0 |
0.034 |
6 |
11 |
|
[P6G]B:207 |
14 |
1 |
478 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
12162 |
154.5 |
1.9 |
0.569 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[MPD]A:208 |
6 |
1 |
284 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12205 |
106.9 |
-7.4 |
0.651 |
0 |
0 |
0 |
0.040 |
8 |
13 |
|
[MPD]A:208 |
6 |
1 |
284 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
12181 |
104.7 |
-6.2 |
0.865 |
0 |
0 |
0 |
0.034 |
9 |
14 |
|
[MPD]C:209 |
7 |
1 |
283 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
12205 |
97.7 |
-6.0 |
0.834 |
0 |
0 |
0 |
0.033 |
10 |
15 |
|
[EDO]A:204 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12181 |
95.4 |
3.5 |
0.338 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]C:206 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
12205 |
95.2 |
1.6 |
0.272 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[MPD]C:208 |
6 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
12205 |
95.2 |
-6.2 |
0.747 |
0 |
0 |
0 |
0.034 |
13 |
18 |
|
[MPD]A:209 |
6 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12181 |
92.2 |
-5.9 |
0.698 |
1 |
0 |
0 |
0.098 |
14 |
19 |
|
[MPD]B:206 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12162 |
86.1 |
-5.1 |
0.828 |
2 |
0 |
0 |
0.062 |
15 |
20 |
|
[EDO]C:205 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12205 |
83.7 |
1.9 |
0.300 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
[MPD]A:209 |
5 |
1 |
283 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
12205 |
81.9 |
-5.4 |
0.734 |
0 |
0 |
0 |
0.029 |
17 |
22 |
|
[EDO]B:205 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12162 |
79.2 |
2.4 |
0.513 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]C:203 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12205 |
78.7 |
2.1 |
0.289 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]C:204 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
12205 |
76.6 |
1.2 |
0.250 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[MPD]C:208 |
5 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12162 |
76.4 |
-4.9 |
0.728 |
2 |
0 |
0 |
0.031 |
21 |
26 |
|
[EDO]B:203 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12162 |
75.7 |
0.9 |
0.731 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]A:207 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12181 |
74.8 |
2.1 |
0.528 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
C |
13 |
4 |
12205 |
f |
[EDO]A:207 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
187 |
73.6 |
2.0 |
0.307 |
2 |
0 |
0 |
0.000 |
24 |
29 |
|
[MPD]B:206 |
5 |
1 |
278 |
◊ |
B |
-x,y,-z |
2_555 |
11 |
3 |
12162 |
73.3 |
-3.2 |
0.906 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]B:204 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12162 |
71.9 |
1.7 |
0.868 |
2 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]C:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
12205 |
71.0 |
1.1 |
0.776 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[EDO]B:204 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12181 |
69.3 |
0.8 |
0.697 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]B:201 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
12162 |
68.7 |
1.6 |
0.289 |
1 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]A:205 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12162 |
68.1 |
1.5 |
0.287 |
1 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]C:201 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
12205 |
67.3 |
1.6 |
0.828 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]B:202 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
12162 |
66.0 |
1.7 |
0.304 |
1 |
0 |
0 |
0.000 |
32 |
37 |
|
C |
15 |
4 |
12205 |
◊ |
[P6G]B:208 |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
544 |
64.7 |
1.4 |
0.673 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]C:207 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
12205 |
64.5 |
1.6 |
0.282 |
1 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]A:205 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12181 |
63.5 |
1.4 |
0.827 |
1 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]C:207 |
3 |
1 |
186 |
◊ |
B |
-x,y,-z |
2_555 |
13 |
4 |
12162 |
62.5 |
1.2 |
0.852 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[PO4]C:210 |
4 |
1 |
194 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
12205 |
61.0 |
-3.7 |
0.751 |
1 |
0 |
0 |
0.022 |
37 |
42 |
|
[EDO]A:206 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12181 |
61.0 |
1.0 |
0.783 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[EDO]C:201 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12181 |
59.7 |
1.1 |
0.817 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[PO4]B:209 |
4 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12162 |
58.0 |
-3.5 |
0.761 |
0 |
0 |
0 |
0.035 |
40 |
45 |
|
[EDO]A:202 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
12181 |
58.0 |
1.1 |
0.805 |
1 |
0 |
0 |
0.000 |
41 |
46 |
|
[MPD]C:209 |
5 |
1 |
283 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12181 |
56.0 |
-3.7 |
0.648 |
0 |
0 |
0 |
0.020 |
42 |
47 |
|
[EDO]C:205 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
12162 |
54.8 |
1.0 |
0.236 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[PO4]C:210 |
4 |
1 |
194 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12181 |
54.5 |
-3.4 |
0.728 |
0 |
0 |
0 |
0.019 |
44 |
49 |
|
[EDO]B:202 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12205 |
52.6 |
1.1 |
0.268 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[EDO]A:203 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
12205 |
52.1 |
1.0 |
0.815 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[PO4]B:210 |
4 |
1 |
194 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
12181 |
51.9 |
-3.1 |
0.689 |
1 |
0 |
0 |
0.054 |
47 |
52 |
|
[EDO]A:203 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12181 |
51.7 |
0.9 |
0.754 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[PO4]B:210 |
4 |
1 |
194 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12162 |
51.3 |
-3.3 |
0.741 |
0 |
0 |
0 |
0.018 |
49 |
54 |
|
[EDO]A:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12162 |
50.9 |
1.0 |
0.744 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
C |
8 |
2 |
12205 |
◊ |
[P6G]B:207 |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
478 |
50.4 |
-0.5 |
0.365 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
[PO4]B:209 |
4 |
1 |
193 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
12205 |
49.7 |
-3.1 |
0.744 |
0 |
0 |
0 |
0.017 |
52 |
57 |
|
[MPD]C:209 |
4 |
1 |
283 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
8 |
2 |
12181 |
47.6 |
-2.3 |
0.888 |
1 |
0 |
0 |
0.000 |
53 |
58 |
|
C |
9 |
3 |
12205 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
3 |
12162 |
47.4 |
1.0 |
0.852 |
1 |
1 |
0 |
0.000 |
59 |
|
C |
6 |
3 |
12205 |
x |
B |
-x,y,-z |
2_555 |
6 |
3 |
12162 |
45.8 |
0.5 |
0.799 |
1 |
1 |
0 |
0.000 |
60 |
|
A |
6 |
3 |
12181 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
12181 |
43.9 |
1.0 |
0.850 |
1 |
1 |
0 |
0.000 |
Average: |
45.7 |
0.8 |
0.834 |
1 |
1 |
0 |
0.000 |
54 |
61 |
|
C |
6 |
3 |
12205 |
◊ |
[EDO]A:206 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
186 |
46.7 |
1.1 |
0.865 |
1 |
0 |
0 |
0.000 |
55 |
62 |
|
[EDO]C:206 |
3 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12162 |
43.2 |
0.8 |
0.704 |
0 |
0 |
0 |
0.000 |
56 |
63 |
|
[EDO]B:201 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
12205 |
42.3 |
0.6 |
0.766 |
0 |
0 |
0 |
0.000 |
57 |
64 |
|
B |
5 |
1 |
12162 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
12181 |
39.5 |
0.4 |
0.786 |
0 |
0 |
0 |
0.000 |
65 |
|
C |
5 |
1 |
12205 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
5 |
1 |
12205 |
33.7 |
-0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
36.6 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[PO4]B:209 |
4 |
1 |
193 |
◊ |
B |
-x,y,-z |
2_555 |
8 |
3 |
12162 |
37.8 |
-2.1 |
0.801 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[MPD]B:206 |
4 |
1 |
278 |
◊ |
[EDO]C:203 |
x,y,z |
1_555 |
4 |
1 |
184 |
37.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
60 |
68 |
|
[PO4]C:210 |
4 |
1 |
194 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
12181 |
36.5 |
-2.1 |
0.790 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[MPD]B:206 |
4 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
12205 |
36.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
62 |
70 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12181 |
35.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.065 |
71 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
12205 |
35.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.065 |
72 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12162 |
35.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
35.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.065 |
63 |
73 |
|
[EDO]C:202 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12162 |
35.5 |
0.5 |
0.702 |
0 |
0 |
0 |
0.000 |
64 |
74 |
|
C |
6 |
3 |
12205 |
◊ |
[PO4]B:210 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
194 |
35.4 |
-1.8 |
0.795 |
0 |
0 |
0 |
0.000 |
65 |
75 |
|
[MPD]C:208 |
3 |
1 |
280 |
f |
[EDO]C:203 |
x,y,z |
1_555 |
2 |
1 |
184 |
33.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
66 |
76 |
|
[MPD]C:209 |
3 |
1 |
283 |
◊ |
[MPD]A:209 |
x,y,z |
1_555 |
1 |
1 |
283 |
30.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.016 |
67 |
77 |
|
[EDO]A:206 |
2 |
1 |
186 |
◊ |
[EDO]A:202 |
x,y,z |
1_555 |
2 |
1 |
186 |
28.6 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
68 |
78 |
|
[P6G]B:207 |
3 |
1 |
478 |
f |
[EDO]B:205 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.2 |
0.9 |
0.743 |
1 |
0 |
0 |
0.000 |
69 |
79 |
|
[EDO]A:206 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12162 |
25.9 |
0.7 |
0.663 |
0 |
0 |
0 |
0.000 |
70 |
80 |
|
[MPD]C:208 |
2 |
1 |
280 |
f |
[EDO]B:203 |
x,y,z |
1_555 |
3 |
1 |
185 |
25.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
71 |
81 |
|
[MPD]A:209 |
2 |
1 |
283 |
◊ |
[EDO]C:204 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.2 |
-0.8 |
0.990 |
0 |
0 |
0 |
0.004 |
72 |
82 |
|
[PO4]C:210 |
4 |
1 |
194 |
f |
[MPD]C:209 |
x,y,z |
1_555 |
3 |
1 |
283 |
23.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
73 |
83 |
|
[EDO]C:204 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12181 |
19.9 |
0.4 |
0.558 |
0 |
0 |
0 |
0.000 |
74 |
84 |
|
[EDO]C:207 |
3 |
1 |
186 |
◊ |
[EDO]B:202 |
x,y,z |
1_555 |
3 |
1 |
185 |
19.3 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
75 |
85 |
|
[PO4]B:209 |
4 |
1 |
193 |
f |
[MPD]B:206 |
x,y,z |
1_555 |
2 |
1 |
278 |
19.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.017 |
76 |
86 |
|
[P6G]B:208 |
2 |
1 |
544 |
f |
[P6G]B:207 |
x,y,z |
1_555 |
3 |
1 |
478 |
19.1 |
0.6 |
0.465 |
0 |
0 |
0 |
0.000 |
77 |
87 |
|
[EDO]B:203 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12205 |
18.7 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
78 |
88 |
|
[MPD]A:208 |
2 |
1 |
284 |
f |
[EDO]C:204 |
x,y,z |
1_555 |
2 |
1 |
185 |
17.4 |
-0.5 |
0.000 |
1 |
0 |
0 |
0.005 |
79 |
89 |
|
[PO4]B:210 |
3 |
1 |
194 |
f |
[EDO]A:206 |
x,y,z |
1_555 |
2 |
1 |
186 |
17.0 |
-0.7 |
0.996 |
1 |
0 |
0 |
0.017 |
80 |
90 |
|
[PO4]B:210 |
3 |
1 |
194 |
f |
[P6G]B:208 |
x,y,z |
1_555 |
3 |
1 |
544 |
15.5 |
-1.0 |
0.521 |
0 |
0 |
0 |
0.016 |
81 |
91 |
|
[MPD]A:209 |
1 |
1 |
283 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
12181 |
14.1 |
-0.5 |
0.878 |
0 |
0 |
0 |
0.000 |
82 |
92 |
|
[P6G]B:208 |
2 |
1 |
544 |
◊ |
[EDO]A:202 |
x,y,z |
1_555 |
2 |
1 |
186 |
14.0 |
0.6 |
0.712 |
0 |
0 |
0 |
0.000 |
83 |
93 |
|
[MPD]C:208 |
2 |
1 |
280 |
◊ |
[MPD]B:206 |
x,y,z |
1_555 |
2 |
1 |
278 |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
84 |
94 |
|
[EDO]C:205 |
3 |
1 |
183 |
f |
[EDO]B:203 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.8 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
85 |
95 |
|
[PO4]B:210 |
4 |
1 |
194 |
f |
[P6G]B:207 |
x,y,z |
1_555 |
3 |
1 |
478 |
8.5 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.006 |
86 |
96 |
|
[MPD]B:206 |
1 |
1 |
278 |
◊ |
[EDO]B:203 |
-x,y,-z |
2_555 |
3 |
1 |
185 |
8.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
87 |
97 |
|
[EDO]A:203 |
2 |
1 |
185 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
12181 |
7.5 |
0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
88 |
98 |
|
[MPD]C:208 |
1 |
1 |
280 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
12162 |
5.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
99 |
|
C |
2 |
2 |
12205 |
f |
[EDO]A:202 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
186 |
3.8 |
0.1 |
0.858 |
0 |
0 |
0 |
0.000 |
90 |
100 |
|
[EDO]B:202 |
2 |
1 |
185 |
f |
B |
-x,y,-z |
2_555 |
2 |
2 |
12162 |
3.7 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
91 |
101 |
|
[EDO]C:204 |
1 |
1 |
185 |
◊ |
[P6G]B:207 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
478 |
2.1 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
92 |
102 |
|
[EDO]C:203 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12162 |
1.1 |
0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
|