## |
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 |
|
F |
69 |
16 |
7840 |
◊ |
B |
x,y,z |
1_555 |
70 |
23 |
7788 |
679.5 |
-7.1 |
0.191 |
15 |
0 |
1 |
0.440 |
2 |
|
F |
73 |
23 |
7840 |
◊ |
C |
x,y,z |
1_555 |
68 |
16 |
7714 |
677.3 |
-8.6 |
0.129 |
16 |
0 |
1 |
0.440 |
3 |
|
E |
72 |
24 |
7849 |
◊ |
D |
x,y,z |
1_555 |
67 |
16 |
7648 |
677.1 |
-8.0 |
0.149 |
16 |
0 |
1 |
0.440 |
4 |
|
E |
68 |
16 |
7849 |
◊ |
A |
x,y,z |
1_555 |
74 |
23 |
7927 |
670.5 |
-7.7 |
0.158 |
17 |
0 |
1 |
0.440 |
5 |
|
D |
72 |
23 |
7648 |
◊ |
A |
x,y,z |
1_555 |
67 |
17 |
7927 |
657.6 |
-8.4 |
0.133 |
14 |
0 |
1 |
0.440 |
6 |
|
C |
69 |
23 |
7714 |
◊ |
B |
x,y,z |
1_555 |
69 |
17 |
7788 |
655.1 |
-8.6 |
0.126 |
15 |
0 |
1 |
0.440 |
Average: |
669.5 |
-8.1 |
0.148 |
16 |
0 |
1 |
0.440 |
2 |
7 |
|
F |
46 |
18 |
7840 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
47 |
18 |
7849 |
477.4 |
-5.6 |
0.183 |
4 |
0 |
0 |
0.076 |
8 |
|
C |
49 |
17 |
7714 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
46 |
19 |
7927 |
473.8 |
-4.9 |
0.259 |
4 |
0 |
0 |
0.076 |
9 |
|
B |
45 |
18 |
7788 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
44 |
17 |
7648 |
460.3 |
-5.3 |
0.214 |
4 |
0 |
0 |
0.076 |
Average: |
470.5 |
-5.2 |
0.219 |
4 |
0 |
0 |
0.076 |
3 |
10 |
|
F |
33 |
10 |
7840 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
7927 |
296.7 |
4.5 |
0.926 |
7 |
3 |
0 |
0.000 |
11 |
|
E |
32 |
10 |
7849 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
7788 |
291.9 |
4.5 |
0.931 |
6 |
3 |
0 |
0.000 |
Average: |
294.3 |
4.5 |
0.928 |
7 |
3 |
0 |
0.000 |
4 |
12 |
|
D |
31 |
11 |
7648 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
7714 |
277.3 |
-0.8 |
0.587 |
2 |
0 |
0 |
0.000 |
5 |
13 |
|
D |
23 |
7 |
7648 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
9 |
7927 |
230.2 |
1.6 |
0.798 |
2 |
0 |
0 |
0.000 |
6 |
14 |
|
E |
25 |
6 |
7849 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
21 |
7 |
7788 |
213.6 |
-1.6 |
0.425 |
2 |
0 |
0 |
0.000 |
15 |
|
D |
19 |
5 |
7648 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
6 |
7840 |
173.3 |
-1.3 |
0.429 |
2 |
0 |
0 |
0.000 |
Average: |
193.4 |
-1.4 |
0.427 |
2 |
0 |
0 |
0.000 |
7 |
16 |
|
C |
20 |
6 |
7714 |
◊ |
E |
x-1/2,-y+1/2,-z+2 |
4_457 |
19 |
6 |
7849 |
185.9 |
-1.5 |
0.414 |
2 |
0 |
0 |
0.000 |
17 |
|
F |
19 |
6 |
7840 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
6 |
7927 |
183.9 |
-1.5 |
0.394 |
2 |
0 |
0 |
0.000 |
Average: |
184.9 |
-1.5 |
0.404 |
2 |
0 |
0 |
0.000 |
8 |
18 |
|
C |
14 |
4 |
7714 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
9 |
7788 |
177.5 |
-0.7 |
0.544 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
F |
14 |
4 |
7840 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
18 |
6 |
7648 |
139.2 |
-2.5 |
0.213 |
0 |
0 |
0 |
0.030 |
20 |
|
C |
13 |
4 |
7714 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
12 |
4 |
7849 |
138.1 |
-2.8 |
0.147 |
0 |
0 |
0 |
0.030 |
21 |
|
B |
13 |
4 |
7788 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
12 |
4 |
7927 |
118.7 |
-3.0 |
0.124 |
0 |
0 |
0 |
0.030 |
Average: |
132.0 |
-2.8 |
0.161 |
0 |
0 |
0 |
0.030 |
10 |
22 |
|
[EDO]D:1146 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
7648 |
111.5 |
3.7 |
0.519 |
5 |
0 |
0 |
0.000 |
11 |
23 |
|
[SO4]A:1140 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7927 |
107.1 |
-15.8 |
0.772 |
4 |
0 |
0 |
0.136 |
12 |
24 |
|
[SO4]C:1141 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
7714 |
105.6 |
-15.6 |
0.811 |
3 |
0 |
0 |
0.128 |
25 |
|
[SO4]D:1141 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
7648 |
89.2 |
-13.2 |
0.823 |
3 |
0 |
0 |
0.128 |
Average: |
97.4 |
-14.4 |
0.817 |
3 |
0 |
0 |
0.128 |
13 |
26 |
|
[SO4]E:1140 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
7849 |
102.1 |
-14.8 |
0.816 |
3 |
0 |
0 |
0.125 |
14 |
27 |
|
[EDO]E:1141 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
7849 |
94.7 |
3.3 |
0.485 |
2 |
0 |
0 |
0.000 |
15 |
28 |
|
[EDO]A:1142 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
7927 |
94.5 |
3.2 |
0.478 |
2 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:1140 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
7788 |
93.7 |
3.2 |
0.483 |
1 |
0 |
0 |
0.000 |
Average: |
94.1 |
3.2 |
0.481 |
2 |
0 |
0 |
0.000 |
16 |
30 |
|
[SO4]B:1139 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
7788 |
94.2 |
-14.2 |
0.793 |
3 |
0 |
0 |
0.118 |
17 |
31 |
|
[EDO]F:1140 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
7840 |
93.6 |
3.3 |
0.474 |
2 |
0 |
0 |
0.000 |
18 |
32 |
|
[EDO]E:1145 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
7849 |
93.1 |
2.4 |
0.399 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
[SO4]F:1139 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
7840 |
92.6 |
-14.0 |
0.766 |
4 |
0 |
0 |
0.119 |
20 |
34 |
|
[EDO]A:1145 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
7840 |
90.0 |
2.6 |
0.288 |
2 |
0 |
0 |
0.000 |
21 |
35 |
|
[EDO]F:1142 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
7840 |
87.9 |
2.5 |
0.445 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]A:1144 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7927 |
83.2 |
2.6 |
0.274 |
0 |
0 |
0 |
0.000 |
Average: |
85.5 |
2.6 |
0.360 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
[EDO]C:1143 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
7714 |
86.9 |
2.9 |
0.477 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
[EDO]D:1143 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
7648 |
86.5 |
2.3 |
0.262 |
1 |
0 |
0 |
0.000 |
24 |
39 |
|
[EDO]E:1143 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
7849 |
85.6 |
2.4 |
0.268 |
2 |
0 |
0 |
0.000 |
25 |
40 |
|
[EDO]B:1142 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7788 |
83.6 |
2.5 |
0.265 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[EDO]E:1142 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
7849 |
81.4 |
2.6 |
0.479 |
1 |
0 |
0 |
0.000 |
27 |
42 |
|
[EDO]A:1143 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7927 |
79.8 |
2.8 |
0.510 |
2 |
0 |
0 |
0.000 |
28 |
43 |
|
[EDO]B:1141 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7788 |
79.3 |
2.6 |
0.294 |
2 |
0 |
0 |
0.000 |
29 |
44 |
|
[EDO]A:1141 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
7927 |
76.0 |
1.7 |
0.223 |
1 |
0 |
0 |
0.000 |
30 |
45 |
|
[EDO]B:1144 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7788 |
74.8 |
1.9 |
0.261 |
3 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:1147 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7927 |
73.8 |
2.0 |
0.264 |
3 |
0 |
0 |
0.000 |
47 |
|
[EDO]C:1142 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
7714 |
73.2 |
1.9 |
0.262 |
3 |
0 |
0 |
0.000 |
Average: |
73.9 |
1.9 |
0.262 |
3 |
0 |
0 |
0.000 |
31 |
48 |
|
F |
9 |
6 |
7840 |
◊ |
[EDO]E:189 |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
186 |
73.5 |
3.0 |
0.303 |
0 |
0 |
0 |
0.000 |
32 |
49 |
|
[EDO]A:1147 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
7849 |
73.0 |
1.3 |
0.229 |
1 |
0 |
0 |
0.000 |
33 |
50 |
|
[EDO]B:1144 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
7840 |
72.8 |
1.4 |
0.224 |
1 |
0 |
0 |
0.000 |
51 |
|
[EDO]C:1142 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
7788 |
72.3 |
1.4 |
0.231 |
1 |
0 |
0 |
0.000 |
Average: |
72.6 |
1.4 |
0.227 |
1 |
0 |
0 |
0.000 |
34 |
52 |
|
[EDO]A:1141 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
7648 |
70.5 |
1.6 |
0.266 |
3 |
0 |
0 |
0.000 |
35 |
53 |
|
[EDO]A:1145 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7927 |
66.9 |
2.4 |
0.935 |
1 |
0 |
0 |
0.000 |
36 |
54 |
|
[EDO]D:1142 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
7648 |
66.4 |
1.2 |
0.636 |
3 |
0 |
0 |
0.001 |
37 |
55 |
|
[SO4]C:1140 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
7714 |
64.6 |
-8.5 |
0.695 |
1 |
0 |
0 |
0.067 |
38 |
56 |
|
[EDO]D:1142 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
7849 |
64.5 |
2.8 |
0.317 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
B |
11 |
5 |
7788 |
◊ |
A |
-x+2,y-1/2,-z+3/2 |
3_746 |
7 |
3 |
7927 |
63.8 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
40 |
58 |
|
[SO4]D:1140 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
7648 |
63.6 |
-8.4 |
0.642 |
1 |
0 |
0 |
0.068 |
41 |
59 |
|
[SO4]D:1139 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7927 |
62.5 |
-8.3 |
0.627 |
2 |
0 |
0 |
0.071 |
42 |
60 |
|
[EDO]F:1141 |
3 |
1 |
184 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
11 |
4 |
7849 |
62.0 |
2.0 |
0.283 |
2 |
0 |
0 |
0.000 |
43 |
61 |
|
F |
11 |
5 |
7840 |
◊ |
[EDO]E:1146 |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
186 |
61.6 |
1.4 |
0.720 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
[SO4]B:1145 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
7840 |
60.4 |
-7.9 |
0.644 |
1 |
0 |
0 |
0.063 |
45 |
63 |
|
[SO4]A:1148 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
7849 |
60.2 |
-8.0 |
0.647 |
1 |
0 |
0 |
0.065 |
46 |
64 |
|
[EDO]D:1147 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7648 |
59.7 |
1.7 |
0.843 |
1 |
0 |
0 |
0.000 |
47 |
65 |
|
[SO4]C:1139 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7788 |
59.3 |
-7.7 |
0.659 |
2 |
0 |
0 |
0.065 |
48 |
66 |
|
[EDO]D:1144 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
5 |
7648 |
58.7 |
1.7 |
0.893 |
1 |
0 |
0 |
0.000 |
49 |
67 |
|
[SO4]C:1140 |
5 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
7840 |
58.2 |
-7.7 |
0.768 |
2 |
0 |
0 |
0.065 |
50 |
68 |
|
[EDO]D:1145 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7714 |
57.9 |
1.6 |
0.853 |
0 |
0 |
0 |
0.000 |
51 |
69 |
|
C |
9 |
4 |
7714 |
◊ |
[EDO]A:1146 |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
184 |
57.1 |
1.7 |
0.814 |
1 |
0 |
0 |
0.000 |
70 |
|
F |
9 |
4 |
7840 |
◊ |
[EDO]E:1144 |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
182 |
47.9 |
1.5 |
0.801 |
1 |
0 |
0 |
0.000 |
Average: |
52.5 |
1.6 |
0.808 |
1 |
0 |
0 |
0.000 |
52 |
71 |
|
[SO4]D:1139 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
7648 |
56.8 |
-7.4 |
0.775 |
1 |
0 |
0 |
0.061 |
53 |
72 |
|
[SO4]C:1139 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
7714 |
56.7 |
-7.4 |
0.775 |
1 |
0 |
0 |
0.061 |
73 |
|
[SO4]D:1140 |
5 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
7849 |
56.4 |
-7.5 |
0.773 |
1 |
0 |
0 |
0.061 |
Average: |
56.5 |
-7.4 |
0.774 |
1 |
0 |
0 |
0.061 |
54 |
74 |
|
[EDO]B:1143 |
3 |
1 |
183 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
10 |
4 |
7648 |
56.6 |
1.9 |
0.288 |
1 |
0 |
0 |
0.000 |
55 |
75 |
|
[SO4]B:1145 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7788 |
53.5 |
-7.1 |
0.798 |
1 |
0 |
0 |
0.057 |
56 |
76 |
|
[SO4]A:1148 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7927 |
53.1 |
-7.2 |
0.793 |
1 |
0 |
0 |
0.059 |
57 |
77 |
|
[EDO]B:1143 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
7788 |
51.9 |
1.3 |
0.481 |
1 |
0 |
0 |
0.000 |
58 |
78 |
|
[EDO]F:1141 |
2 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
7840 |
49.7 |
1.0 |
0.480 |
0 |
0 |
0 |
0.000 |
59 |
79 |
|
[EDO]A:1146 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7927 |
49.2 |
1.2 |
0.481 |
0 |
0 |
0 |
0.000 |
80 |
|
[EDO]E:1144 |
3 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
7849 |
42.2 |
0.8 |
0.674 |
0 |
0 |
0 |
0.000 |
Average: |
45.7 |
1.0 |
0.577 |
0 |
0 |
0 |
0.000 |
60 |
81 |
|
[EDO]D:1147 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
7714 |
49.1 |
0.4 |
0.425 |
0 |
0 |
0 |
0.000 |
61 |
82 |
|
[EDO]D:1145 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
7648 |
47.8 |
0.5 |
0.489 |
0 |
0 |
0 |
0.000 |
62 |
83 |
|
C |
8 |
3 |
7714 |
◊ |
[EDO]A:1143 |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
185 |
45.8 |
1.4 |
0.853 |
0 |
0 |
0 |
0.000 |
63 |
84 |
|
[EDO]D:1147 |
3 |
1 |
183 |
f |
[EDO]D:1144 |
x,y,z |
1_555 |
3 |
1 |
185 |
45.6 |
2.8 |
0.354 |
0 |
0 |
0 |
0.000 |
64 |
85 |
|
[EDO]B:1141 |
4 |
1 |
184 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
8 |
3 |
7648 |
43.8 |
1.4 |
0.858 |
0 |
0 |
0 |
0.000 |
65 |
86 |
|
[EDO]E:189 |
4 |
1 |
186 |
f |
[EDO]E:1146 |
x,y,z |
1_555 |
2 |
1 |
186 |
39.8 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
87 |
|
[EDO]E:1146 |
3 |
1 |
186 |
f |
[EDO]E:1144 |
x,y,z |
1_555 |
2 |
1 |
182 |
37.3 |
2.1 |
0.707 |
0 |
0 |
0 |
0.000 |
67 |
88 |
|
[EDO]D:1144 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
7714 |
37.0 |
0.4 |
0.592 |
1 |
0 |
0 |
0.000 |
68 |
89 |
|
[EDO]D:1142 |
3 |
1 |
184 |
f |
[SO4]D:1141 |
x,y,z |
1_555 |
4 |
1 |
187 |
35.0 |
-3.6 |
0.999 |
2 |
0 |
0 |
0.035 |
69 |
90 |
|
F |
8 |
3 |
7840 |
◊ |
[EDO]E:1142 |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
185 |
34.9 |
1.3 |
0.587 |
0 |
0 |
0 |
0.000 |
70 |
91 |
|
[EDO]B:1143 |
3 |
1 |
183 |
f |
[EDO]B:1141 |
x,y,z |
1_555 |
2 |
1 |
184 |
34.3 |
1.1 |
1.000 |
2 |
0 |
0 |
0.000 |
71 |
92 |
|
[EDO]E:1146 |
2 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
7849 |
32.0 |
0.4 |
0.641 |
0 |
0 |
0 |
0.000 |
72 |
93 |
|
[EDO]A:1146 |
3 |
1 |
184 |
f |
[EDO]A:1143 |
x,y,z |
1_555 |
3 |
1 |
185 |
31.8 |
0.8 |
1.000 |
2 |
0 |
0 |
0.000 |
73 |
94 |
|
[EDO]E:1144 |
3 |
1 |
182 |
f |
[EDO]E:1142 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.7 |
0.8 |
1.000 |
2 |
0 |
0 |
0.000 |
74 |
95 |
|
[EDO]E:1143 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
7648 |
21.0 |
1.2 |
0.956 |
0 |
0 |
0 |
0.000 |
75 |
96 |
|
[EDO]E:189 |
2 |
1 |
186 |
f |
[EDO]E:1144 |
x,y,z |
1_555 |
1 |
1 |
182 |
18.7 |
0.9 |
0.707 |
0 |
0 |
0 |
0.000 |
76 |
97 |
|
[EDO]A:1145 |
2 |
1 |
185 |
f |
[EDO]A:1142 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.2 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
77 |
98 |
|
[EDO]E:1145 |
1 |
1 |
182 |
f |
[SO4]D:1140 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.9 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.004 |
78 |
99 |
|
C |
1 |
1 |
7714 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
7648 |
3.6 |
-0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
79 |
100 |
|
[EDO]A:1142 |
1 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
7840 |
0.7 |
0.0 |
0.814 |
0 |
0 |
0 |
0.000 |
|