## |
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 |
|
D |
100 |
24 |
9712 |
◊ |
C |
x,y,z |
1_555 |
101 |
25 |
9556 |
1041.6 |
-21.3 |
0.032 |
2 |
6 |
0 |
1.000 |
2 |
|
B |
94 |
23 |
10105 |
◊ |
A |
x,y,z |
1_555 |
101 |
24 |
9467 |
974.5 |
-21.1 |
0.023 |
3 |
4 |
0 |
1.000 |
Average: |
1008.0 |
-21.2 |
0.027 |
3 |
5 |
0 |
1.000 |
2 |
3 |
|
C |
53 |
15 |
9556 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
52 |
15 |
10105 |
571.9 |
-18.1 |
0.002 |
0 |
0 |
0 |
1.000 |
4 |
|
D |
52 |
14 |
9712 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
52 |
15 |
9467 |
553.4 |
-16.4 |
0.008 |
2 |
0 |
0 |
1.000 |
Average: |
562.6 |
-17.2 |
0.005 |
1 |
0 |
0 |
1.000 |
3 |
5 |
|
D |
38 |
15 |
9712 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
12 |
10105 |
363.0 |
-4.9 |
0.274 |
3 |
1 |
0 |
0.000 |
4 |
6 |
|
B |
42 |
12 |
10105 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
52 |
15 |
10105 |
360.1 |
-1.1 |
0.682 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
32 |
12 |
10105 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
15 |
9467 |
322.8 |
-0.7 |
0.743 |
2 |
1 |
0 |
0.000 |
6 |
8 |
|
A |
36 |
12 |
9467 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
36 |
12 |
9467 |
268.7 |
-1.9 |
0.695 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[PG4]D:216 |
12 |
1 |
411 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
15 |
10105 |
226.5 |
4.9 |
0.428 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
22 |
6 |
9712 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
10105 |
222.8 |
-3.0 |
0.329 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
D |
25 |
9 |
9712 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
9467 |
161.4 |
-2.1 |
0.483 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[GOL]C:209 |
6 |
1 |
217 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
25 |
10 |
10105 |
128.8 |
0.0 |
0.661 |
5 |
0 |
0 |
1.000 |
11 |
13 |
|
[EDO]C:204 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
9556 |
123.6 |
3.2 |
0.641 |
3 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:213 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
10105 |
106.6 |
2.6 |
0.591 |
3 |
0 |
0 |
0.000 |
Average: |
115.1 |
2.9 |
0.616 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]D:204 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
9712 |
120.9 |
3.3 |
0.627 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:205 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
9467 |
104.6 |
2.6 |
0.650 |
3 |
0 |
0 |
0.000 |
Average: |
112.7 |
2.9 |
0.638 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]B:203 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
10105 |
114.5 |
4.1 |
0.741 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]B:206 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
10105 |
113.9 |
3.0 |
0.463 |
4 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]A:214 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
9467 |
113.8 |
4.1 |
0.557 |
5 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:212 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
9467 |
111.5 |
2.7 |
0.478 |
5 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]C:207 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
9556 |
111.4 |
4.3 |
0.568 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]A:209 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9467 |
107.9 |
4.0 |
0.577 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]D:210 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
9712 |
106.4 |
4.1 |
0.559 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]C:206 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
9556 |
105.8 |
4.2 |
0.552 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]D:208 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
9712 |
105.4 |
3.8 |
0.568 |
4 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]D:202 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
9712 |
103.8 |
3.1 |
0.519 |
2 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]B:207 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
10105 |
100.8 |
3.2 |
0.514 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]B:212 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
10105 |
99.2 |
2.3 |
0.481 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]D:211 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
9712 |
97.3 |
2.5 |
0.492 |
6 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]B:215 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
10105 |
93.5 |
3.9 |
0.341 |
2 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]D:205 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
8 |
9712 |
90.9 |
2.6 |
0.511 |
3 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]D:207 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
9712 |
90.5 |
2.3 |
0.470 |
3 |
0 |
0 |
0.000 |
29 |
33 |
|
[EDO]C:202 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
9556 |
87.4 |
2.8 |
0.308 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[EDO]D:206 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
9712 |
86.5 |
2.3 |
0.296 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]D:212 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
9712 |
86.4 |
2.6 |
0.296 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]B:210 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
10105 |
86.0 |
2.0 |
0.226 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
D |
12 |
5 |
9712 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
13 |
5 |
9712 |
85.9 |
0.9 |
0.828 |
2 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]B:204 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
10105 |
83.9 |
2.3 |
0.279 |
1 |
0 |
0 |
0.000 |
35 |
39 |
|
[EDO]A:210 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9467 |
82.2 |
1.9 |
0.273 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[EDO]A:207 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
9467 |
79.9 |
1.8 |
0.291 |
2 |
0 |
0 |
0.000 |
37 |
41 |
|
[EDO]D:215 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
9712 |
79.3 |
1.6 |
0.824 |
2 |
0 |
0 |
0.000 |
38 |
42 |
|
[EDO]D:203 |
4 |
1 |
185 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
5 |
10105 |
79.2 |
2.0 |
0.436 |
2 |
0 |
0 |
0.000 |
39 |
43 |
|
[EDO]B:209 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10105 |
77.5 |
2.1 |
0.264 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[EDO]A:203 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9467 |
77.1 |
1.6 |
0.405 |
2 |
0 |
0 |
0.000 |
41 |
45 |
|
[EDO]B:214 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
10105 |
77.0 |
2.9 |
0.336 |
2 |
0 |
0 |
0.000 |
42 |
46 |
|
[EDO]A:213 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9467 |
76.2 |
1.2 |
0.725 |
1 |
0 |
0 |
0.000 |
43 |
47 |
|
[EDO]B:205 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
10105 |
75.1 |
2.2 |
0.286 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[EDO]D:213 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
9712 |
72.7 |
1.9 |
0.440 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[EDO]A:206 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
9467 |
69.8 |
2.1 |
0.934 |
3 |
0 |
0 |
0.000 |
46 |
50 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9467 |
69.7 |
-9.9 |
0.827 |
3 |
0 |
0 |
1.000 |
47 |
51 |
|
[SO4]B:202 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
10105 |
69.3 |
-9.4 |
0.767 |
4 |
0 |
0 |
1.000 |
48 |
52 |
|
[EDO]C:208 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9556 |
69.3 |
2.1 |
0.287 |
1 |
0 |
0 |
0.000 |
49 |
53 |
|
[EDO]D:214 |
4 |
1 |
179 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
9712 |
68.0 |
1.6 |
0.297 |
2 |
0 |
0 |
0.000 |
50 |
54 |
|
[EDO]C:205 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
9 |
2 |
9556 |
67.7 |
1.8 |
0.908 |
3 |
0 |
0 |
0.000 |
51 |
55 |
|
[EDO]A:204 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
9712 |
66.4 |
1.3 |
0.195 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[EDO]A:211 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9467 |
65.3 |
0.9 |
0.196 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[EDO]D:209 |
4 |
1 |
179 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
9712 |
63.8 |
1.9 |
0.934 |
2 |
0 |
0 |
0.000 |
54 |
58 |
|
B |
9 |
2 |
10105 |
◊ |
[SO4]B:202 |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
186 |
63.0 |
-8.7 |
0.642 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[EDO]A:204 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9467 |
61.8 |
2.5 |
0.323 |
1 |
0 |
0 |
0.000 |
56 |
60 |
|
B |
12 |
2 |
10105 |
◊ |
[EDO]B:211 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
179 |
57.9 |
1.0 |
0.228 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[EDO]C:203 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
9556 |
56.9 |
0.7 |
0.745 |
3 |
0 |
0 |
1.000 |
58 |
62 |
|
[EDO]B:205 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
9467 |
55.9 |
0.9 |
0.639 |
0 |
0 |
0 |
0.000 |
59 |
63 |
|
[EDO]B:211 |
4 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10105 |
55.4 |
1.4 |
0.799 |
1 |
0 |
0 |
0.000 |
60 |
64 |
|
[EDO]B:208 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
10105 |
53.7 |
0.7 |
0.799 |
3 |
0 |
0 |
1.000 |
61 |
65 |
|
[EDO]B:204 |
4 |
1 |
185 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
4 |
10105 |
52.3 |
1.0 |
0.572 |
0 |
0 |
0 |
0.000 |
62 |
66 |
|
[EDO]B:215 |
3 |
1 |
182 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
10105 |
48.5 |
1.2 |
0.903 |
2 |
0 |
0 |
0.000 |
63 |
67 |
|
[EDO]B:210 |
4 |
1 |
185 |
f |
[EDO]B:209 |
x,y,z |
1_555 |
3 |
1 |
186 |
44.8 |
2.2 |
1.000 |
1 |
0 |
0 |
0.000 |
64 |
68 |
|
[PG4]D:216 |
4 |
1 |
411 |
f |
[EDO]D:203 |
x,y,z |
1_555 |
3 |
1 |
185 |
43.5 |
2.0 |
0.492 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
[EDO]A:208 |
4 |
1 |
186 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
10105 |
43.2 |
1.2 |
0.752 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
[EDO]D:203 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
9712 |
42.9 |
0.2 |
0.434 |
0 |
0 |
0 |
0.000 |
67 |
71 |
|
[EDO]D:206 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9556 |
42.5 |
0.6 |
0.578 |
0 |
0 |
0 |
0.000 |
68 |
72 |
|
[EDO]D:213 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9467 |
41.4 |
0.1 |
0.541 |
1 |
0 |
0 |
0.058 |
69 |
73 |
|
[EDO]D:205 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
9467 |
40.7 |
0.6 |
0.697 |
0 |
0 |
0 |
0.000 |
70 |
74 |
|
[EDO]A:213 |
3 |
1 |
185 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
9712 |
40.3 |
1.0 |
0.760 |
0 |
0 |
0 |
0.000 |
71 |
75 |
|
C |
2 |
1 |
9556 |
◊ |
A |
x,y-1,z-1 |
1_544 |
6 |
2 |
9467 |
39.9 |
-0.9 |
0.214 |
0 |
0 |
0 |
0.000 |
72 |
76 |
|
[EDO]D:210 |
4 |
1 |
184 |
f |
[EDO]D:209 |
x,y,z |
1_555 |
4 |
1 |
179 |
38.1 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
73 |
77 |
|
[EDO]B:208 |
4 |
1 |
181 |
f |
[EDO]B:207 |
x,y,z |
1_555 |
3 |
1 |
184 |
38.0 |
1.7 |
1.000 |
1 |
0 |
0 |
0.000 |
74 |
78 |
|
[EDO]A:211 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
10105 |
37.8 |
0.8 |
0.911 |
2 |
0 |
0 |
1.000 |
75 |
79 |
|
[EDO]A:203 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
9712 |
37.5 |
0.9 |
0.582 |
1 |
0 |
0 |
0.000 |
76 |
80 |
|
[EDO]A:208 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
9467 |
35.9 |
0.8 |
0.825 |
1 |
0 |
0 |
0.000 |
77 |
81 |
|
[EDO]D:213 |
4 |
1 |
182 |
f |
[EDO]A:203 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.7 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
78 |
82 |
|
[EDO]C:206 |
4 |
1 |
184 |
f |
[EDO]C:205 |
x,y,z |
1_555 |
4 |
1 |
181 |
35.5 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
79 |
83 |
|
[PG4]D:216 |
5 |
1 |
411 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
9712 |
34.9 |
-0.2 |
0.071 |
0 |
0 |
0 |
0.000 |
80 |
84 |
|
[EDO]A:209 |
4 |
1 |
185 |
f |
[EDO]A:206 |
x,y,z |
1_555 |
4 |
1 |
182 |
33.8 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
81 |
85 |
|
[EDO]B:211 |
3 |
1 |
179 |
f |
[SO4]B:202 |
x,y,z |
1_555 |
4 |
1 |
186 |
32.6 |
-3.0 |
0.999 |
3 |
0 |
0 |
1.000 |
82 |
86 |
|
[EDO]B:213 |
2 |
1 |
185 |
f |
[EDO]B:206 |
x,y,z |
1_555 |
4 |
1 |
186 |
31.9 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
83 |
87 |
|
[EDO]A:208 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
10105 |
31.8 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
84 |
88 |
|
[EDO]A:212 |
4 |
1 |
185 |
f |
[EDO]A:205 |
x,y,z |
1_555 |
2 |
1 |
184 |
31.0 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
85 |
89 |
|
C |
4 |
3 |
9556 |
f |
[EDO]A:207 |
x,y-1,z-1 |
1_544 |
2 |
1 |
185 |
29.1 |
0.4 |
0.579 |
0 |
0 |
0 |
0.000 |
86 |
90 |
|
[GOL]C:209 |
3 |
1 |
217 |
◊ |
[EDO]B:214 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
181 |
28.6 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
87 |
91 |
|
[EDO]B:205 |
2 |
1 |
184 |
f |
[EDO]A:208 |
x,y,z |
1_555 |
2 |
1 |
186 |
27.6 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
88 |
92 |
|
[EDO]D:214 |
2 |
1 |
179 |
f |
A |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
9467 |
27.1 |
0.4 |
0.790 |
1 |
0 |
0 |
0.000 |
89 |
93 |
|
[EDO]B:215 |
3 |
1 |
182 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
9467 |
27.0 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
90 |
94 |
|
[EDO]A:204 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
10105 |
24.7 |
0.8 |
0.933 |
1 |
0 |
0 |
0.000 |
91 |
95 |
|
[SO4]A:202 |
1 |
1 |
186 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
9712 |
24.6 |
-3.4 |
0.673 |
0 |
0 |
0 |
0.000 |
92 |
96 |
|
C |
4 |
2 |
9556 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
9712 |
22.6 |
-0.6 |
0.302 |
0 |
0 |
0 |
0.000 |
93 |
97 |
|
[EDO]C:208 |
2 |
1 |
181 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
10105 |
21.5 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
94 |
98 |
|
[EDO]D:213 |
2 |
1 |
182 |
f |
[EDO]D:205 |
x,y,z |
1_555 |
2 |
1 |
185 |
19.3 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
95 |
99 |
|
[EDO]D:212 |
1 |
1 |
185 |
f |
[EDO]D:206 |
x,y,z |
1_555 |
1 |
1 |
183 |
18.7 |
0.8 |
0.707 |
0 |
0 |
0 |
0.000 |
96 |
100 |
|
[EDO]A:208 |
3 |
1 |
186 |
◊ |
[EDO]B:211 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
179 |
17.0 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
97 |
101 |
|
C |
3 |
1 |
9556 |
f |
[EDO]B:214 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
181 |
16.8 |
0.5 |
0.764 |
0 |
0 |
0 |
0.000 |
98 |
102 |
|
D |
4 |
3 |
9712 |
◊ |
A |
-x+1,y-1,-z+1 |
2_646 |
3 |
2 |
9467 |
14.9 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
99 |
103 |
|
[EDO]D:205 |
2 |
1 |
185 |
f |
[EDO]A:203 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
100 |
104 |
|
[EDO]C:202 |
1 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
9712 |
5.6 |
0.0 |
0.723 |
0 |
0 |
0 |
0.000 |
101 |
105 |
|
[EDO]B:204 |
1 |
1 |
185 |
f |
[EDO]A:208 |
x,y,z |
1_555 |
2 |
1 |
186 |
4.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
102 |
106 |
|
[GOL]C:209 |
2 |
1 |
217 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
9712 |
4.3 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
103 |
107 |
|
[EDO]A:206 |
1 |
1 |
182 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.0 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.066 |
104 |
108 |
|
[EDO]C:203 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9712 |
2.7 |
0.2 |
0.917 |
0 |
0 |
0 |
0.000 |
|