## |
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 |
153 |
39 |
13168 |
x |
D |
x,y,z |
1_555 |
153 |
41 |
13216 |
1414.0 |
-17.8 |
0.279 |
19 |
0 |
0 |
0.548 |
2 |
|
H |
157 |
40 |
13316 |
x |
H |
-y,x-y-1,z |
2_545 |
149 |
38 |
13316 |
1408.6 |
-16.8 |
0.319 |
17 |
0 |
0 |
0.548 |
3 |
|
E |
158 |
42 |
13209 |
x |
D |
x,y,z |
1_555 |
153 |
38 |
13216 |
1408.5 |
-18.6 |
0.233 |
18 |
0 |
0 |
0.548 |
4 |
|
C |
160 |
40 |
13223 |
x |
B |
x,y,z |
1_555 |
150 |
39 |
13131 |
1403.1 |
-18.0 |
0.267 |
20 |
0 |
0 |
0.548 |
5 |
|
F |
154 |
39 |
13168 |
x |
E |
x,y,z |
1_555 |
145 |
39 |
13209 |
1392.0 |
-16.8 |
0.275 |
20 |
1 |
0 |
0.548 |
6 |
|
C |
153 |
39 |
13223 |
x |
A |
x,y,z |
1_555 |
156 |
39 |
13171 |
1389.4 |
-17.3 |
0.289 |
18 |
0 |
0 |
0.548 |
7 |
|
G |
150 |
39 |
13007 |
x |
G |
-y,x-y-1,z |
2_545 |
156 |
40 |
13007 |
1383.5 |
-18.9 |
0.218 |
18 |
0 |
0 |
0.548 |
8 |
|
B |
155 |
40 |
13131 |
x |
A |
x,y,z |
1_555 |
152 |
40 |
13171 |
1376.1 |
-17.7 |
0.258 |
18 |
0 |
0 |
0.548 |
Average: |
1396.9 |
-17.7 |
0.267 |
19 |
0 |
0 |
0.548 |
2 |
9 |
|
B |
115 |
29 |
13131 |
◊ |
D |
-y,x-y-1,z |
2_545 |
114 |
29 |
13216 |
1128.6 |
-14.7 |
0.277 |
14 |
11 |
0 |
0.437 |
10 |
|
E |
111 |
29 |
13209 |
◊ |
H |
-y,x-y-1,z |
2_545 |
114 |
28 |
13316 |
1114.6 |
-15.6 |
0.207 |
14 |
12 |
0 |
0.437 |
11 |
|
G |
110 |
28 |
13007 |
◊ |
C |
-y,x-y-1,z |
2_545 |
106 |
29 |
13223 |
1109.6 |
-14.6 |
0.264 |
15 |
11 |
0 |
0.437 |
12 |
|
F |
112 |
28 |
13168 |
◊ |
A |
x,y,z |
1_555 |
108 |
29 |
13171 |
1099.2 |
-16.5 |
0.160 |
13 |
9 |
0 |
0.437 |
Average: |
1113.0 |
-15.3 |
0.227 |
14 |
11 |
0 |
0.437 |
3 |
13 |
|
[CO6]E:500 |
37 |
1 |
766 |
f |
E |
x,y,z |
1_555 |
60 |
23 |
13209 |
501.2 |
0.7 |
0.786 |
7 |
0 |
0 |
0.214 |
14 |
|
[CO6]C:500 |
27 |
1 |
601 |
f |
C |
x,y,z |
1_555 |
39 |
17 |
13223 |
311.4 |
-2.2 |
0.835 |
6 |
0 |
0 |
0.214 |
15 |
|
[CO6]A:500 |
25 |
1 |
605 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
13171 |
311.0 |
-4.0 |
0.768 |
5 |
0 |
0 |
0.214 |
16 |
|
[CO6]B:500 |
25 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
35 |
15 |
13131 |
300.1 |
-3.0 |
0.773 |
6 |
0 |
0 |
0.214 |
17 |
|
[CO6]H:500 |
28 |
1 |
600 |
f |
H |
x,y,z |
1_555 |
37 |
15 |
13316 |
295.9 |
-4.0 |
0.754 |
7 |
0 |
0 |
0.214 |
18 |
|
[CO6]F:500 |
27 |
1 |
603 |
f |
F |
x,y,z |
1_555 |
39 |
16 |
13168 |
286.5 |
-4.0 |
0.739 |
5 |
0 |
0 |
0.214 |
19 |
|
[CO6]G:500 |
25 |
1 |
591 |
f |
G |
x,y,z |
1_555 |
32 |
14 |
13007 |
280.8 |
-3.4 |
0.709 |
6 |
0 |
0 |
0.214 |
Average: |
326.7 |
-2.9 |
0.766 |
6 |
0 |
0 |
0.214 |
4 |
20 |
|
A |
38 |
12 |
13171 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
38 |
12 |
13223 |
385.1 |
-2.6 |
0.581 |
0 |
0 |
0 |
0.000 |
5 |
21 |
|
D |
39 |
14 |
13216 |
◊ |
B |
x+2/3,y+1/3,z+1/3 |
4_555 |
52 |
17 |
13131 |
373.5 |
-2.6 |
0.607 |
3 |
0 |
0 |
0.000 |
22 |
|
H |
45 |
15 |
13316 |
◊ |
F |
x-1/3,y-2/3,z+1/3 |
4_445 |
31 |
14 |
13168 |
294.8 |
-1.5 |
0.664 |
1 |
0 |
0 |
0.000 |
Average: |
334.1 |
-2.0 |
0.635 |
2 |
0 |
0 |
0.000 |
6 |
23 |
|
[CO6]D:500 |
26 |
1 |
609 |
f |
D |
x,y,z |
1_555 |
34 |
15 |
13216 |
285.7 |
-3.3 |
0.813 |
5 |
0 |
0 |
0.100 |
7 |
24 |
|
E |
25 |
7 |
13209 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
30 |
7 |
13223 |
252.3 |
-0.8 |
0.692 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
26 |
7 |
13171 |
◊ |
G |
x-1/3,y+1/3,z+1/3 |
4_455 |
20 |
8 |
13007 |
220.0 |
-1.2 |
0.623 |
2 |
0 |
0 |
0.000 |
Average: |
236.1 |
-1.0 |
0.657 |
2 |
0 |
0 |
0.000 |
8 |
26 |
|
B |
15 |
6 |
13131 |
◊ |
G |
x-1/3,y+1/3,z+1/3 |
4_455 |
10 |
5 |
13007 |
122.5 |
1.8 |
0.864 |
1 |
0 |
0 |
0.000 |
27 |
|
E |
11 |
6 |
13209 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
14 |
5 |
13171 |
97.7 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
Average: |
110.1 |
1.1 |
0.816 |
1 |
0 |
0 |
0.000 |
9 |
28 |
|
[ACT]D:600 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
13216 |
88.8 |
-0.9 |
0.600 |
1 |
0 |
0 |
0.029 |
29 |
|
[ACT]F:600 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
13168 |
87.2 |
-1.0 |
0.603 |
1 |
0 |
0 |
0.029 |
30 |
|
[ACT]H:600 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
13316 |
85.3 |
-1.0 |
0.569 |
1 |
0 |
0 |
0.029 |
Average: |
87.1 |
-1.0 |
0.591 |
1 |
0 |
0 |
0.029 |
10 |
31 |
|
[ACT]G:600 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
14 |
8 |
13007 |
87.8 |
-1.1 |
0.545 |
1 |
0 |
0 |
0.031 |
11 |
32 |
|
[ACT]B:600 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13131 |
87.6 |
-1.0 |
0.619 |
1 |
0 |
0 |
0.029 |
33 |
|
[ACT]C:600 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
13223 |
86.7 |
-0.9 |
0.606 |
1 |
0 |
0 |
0.029 |
34 |
|
[ACT]A:600 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
13171 |
86.6 |
-0.9 |
0.609 |
1 |
0 |
0 |
0.029 |
Average: |
87.0 |
-1.0 |
0.611 |
1 |
0 |
0 |
0.029 |
12 |
35 |
|
[ACT]E:600 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
16 |
9 |
13209 |
86.2 |
-1.0 |
0.610 |
1 |
0 |
0 |
0.027 |
13 |
36 |
|
[ACT]E:601 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
15 |
9 |
13209 |
80.7 |
-0.6 |
0.649 |
0 |
0 |
0 |
0.004 |
14 |
37 |
|
[ACT]A:601 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
13171 |
79.5 |
-0.5 |
0.703 |
0 |
0 |
0 |
0.003 |
15 |
38 |
|
[ACT]F:601 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
16 |
8 |
13168 |
79.4 |
-0.9 |
0.614 |
0 |
0 |
0 |
0.013 |
39 |
|
[ACT]D:601 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
13216 |
78.3 |
-0.9 |
0.624 |
0 |
0 |
0 |
0.013 |
Average: |
78.8 |
-0.9 |
0.619 |
0 |
0 |
0 |
0.013 |
16 |
40 |
|
[ACT]G:601 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
15 |
9 |
13007 |
78.1 |
-0.4 |
0.702 |
0 |
0 |
0 |
0.008 |
17 |
41 |
|
[ACT]H:601 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
15 |
8 |
13316 |
77.1 |
-0.3 |
0.644 |
0 |
0 |
0 |
0.006 |
18 |
42 |
|
[ACT]C:601 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
9 |
13223 |
75.6 |
-0.4 |
0.703 |
0 |
0 |
0 |
0.003 |
19 |
43 |
|
[ACT]B:601 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
13131 |
73.7 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.002 |
20 |
44 |
|
[CL]F:805 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
13168 |
70.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.293 |
45 |
|
[CL]B:806 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13131 |
70.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.293 |
46 |
|
[CL]H:801 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
13316 |
69.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.293 |
47 |
|
[CL]G:812 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
13007 |
69.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.293 |
48 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13171 |
69.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.293 |
49 |
|
[CL]E:804 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
13209 |
69.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.293 |
50 |
|
[CL]D:811 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
13216 |
69.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.293 |
51 |
|
[CL]C:802 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
13223 |
68.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.293 |
Average: |
69.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.293 |
21 |
52 |
|
[ACT]C:601 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13171 |
59.5 |
-1.1 |
0.437 |
1 |
0 |
0 |
0.026 |
22 |
53 |
|
[ACT]B:601 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13223 |
59.4 |
-1.0 |
0.540 |
1 |
0 |
0 |
0.026 |
23 |
54 |
|
[ACT]G:601 |
4 |
1 |
185 |
f |
G |
-y,x-y-1,z |
2_545 |
10 |
5 |
13007 |
58.6 |
-0.4 |
0.711 |
1 |
0 |
0 |
0.018 |
24 |
55 |
|
H |
10 |
5 |
13316 |
f |
[ACT]H:601 |
-y,x-y-1,z |
2_545 |
4 |
1 |
182 |
58.1 |
-1.1 |
0.440 |
0 |
0 |
0 |
0.023 |
25 |
56 |
|
[ACT]A:601 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13131 |
57.3 |
-0.9 |
0.497 |
2 |
0 |
0 |
0.031 |
26 |
57 |
|
[ACT]F:601 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
13216 |
55.6 |
-0.2 |
0.528 |
2 |
0 |
0 |
0.021 |
58 |
|
[ACT]D:601 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
13209 |
55.5 |
-0.2 |
0.549 |
2 |
0 |
0 |
0.021 |
Average: |
55.5 |
-0.2 |
0.538 |
2 |
0 |
0 |
0.021 |
27 |
59 |
|
[ACT]E:601 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
13168 |
54.7 |
-0.8 |
0.487 |
2 |
0 |
0 |
0.029 |
28 |
60 |
|
[CL]A:808 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
4 |
2 |
13223 |
38.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.071 |
61 |
|
[CL]D:809 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
5 |
3 |
13209 |
36.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.071 |
62 |
|
[CL]A:808 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
13171 |
36.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
63 |
|
[CL]H:810 |
1 |
1 |
125 |
x |
H |
x,y,z |
1_555 |
4 |
2 |
13316 |
35.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
64 |
|
[CL]A:808 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
13131 |
33.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.071 |
65 |
|
[CL]D:809 |
1 |
1 |
125 |
x |
F |
x,y,z |
1_555 |
5 |
3 |
13168 |
33.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.071 |
66 |
|
[CL]G:807 |
1 |
1 |
125 |
x |
G |
x,y,z |
1_555 |
3 |
2 |
13007 |
32.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.071 |
67 |
|
[CL]D:809 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
13216 |
32.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
34.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
29 |
68 |
|
[CL]C:802 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13171 |
34.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.088 |
69 |
|
H |
7 |
3 |
13316 |
◊ |
[CL]H:801 |
-y,x-y-1,z |
2_545 |
1 |
1 |
125 |
33.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.088 |
70 |
|
[CL]G:812 |
1 |
1 |
125 |
◊ |
G |
-y,x-y-1,z |
2_545 |
8 |
3 |
13007 |
33.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
71 |
|
[CL]A:803 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13131 |
33.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.088 |
72 |
|
[CL]E:804 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
13168 |
33.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.088 |
73 |
|
[CL]D:811 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
13209 |
33.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.088 |
74 |
|
[CL]B:806 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
13223 |
31.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
75 |
|
[CL]F:805 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
13216 |
31.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
33.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
30 |
76 |
|
[ACT]F:600 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13216 |
32.9 |
-0.7 |
0.379 |
0 |
0 |
0 |
0.014 |
77 |
|
[ACT]D:600 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
13209 |
31.8 |
-0.8 |
0.414 |
0 |
0 |
0 |
0.014 |
78 |
|
H |
5 |
2 |
13316 |
◊ |
[ACT]H:600 |
-y,x-y-1,z |
2_545 |
3 |
1 |
183 |
30.8 |
-0.7 |
0.382 |
0 |
0 |
0 |
0.014 |
Average: |
31.8 |
-0.7 |
0.392 |
0 |
0 |
0 |
0.014 |
31 |
79 |
|
[ACT]A:600 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13131 |
32.4 |
-0.8 |
0.354 |
0 |
0 |
0 |
0.010 |
80 |
|
[ACT]C:600 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13171 |
29.8 |
-0.7 |
0.419 |
0 |
0 |
0 |
0.010 |
81 |
|
[ACT]G:600 |
4 |
1 |
184 |
◊ |
G |
-y,x-y-1,z |
2_545 |
5 |
2 |
13007 |
28.2 |
-0.4 |
0.517 |
0 |
0 |
0 |
0.010 |
Average: |
30.1 |
-0.6 |
0.430 |
0 |
0 |
0 |
0.010 |
32 |
82 |
|
[ACT]E:600 |
3 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
13168 |
31.6 |
-0.6 |
0.390 |
0 |
0 |
0 |
0.004 |
33 |
83 |
|
[ACT]C:601 |
3 |
1 |
184 |
◊ |
[ACT]C:600 |
x,y,z |
1_555 |
3 |
1 |
182 |
31.2 |
-0.8 |
0.594 |
0 |
0 |
0 |
0.005 |
34 |
84 |
|
[ACT]H:601 |
4 |
1 |
182 |
◊ |
[ACT]H:600 |
x,y,z |
1_555 |
3 |
1 |
183 |
31.2 |
-0.8 |
0.562 |
0 |
0 |
0 |
0.016 |
35 |
85 |
|
[ACT]G:601 |
4 |
1 |
185 |
◊ |
[ACT]G:600 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.0 |
-0.7 |
0.703 |
0 |
0 |
0 |
0.014 |
36 |
86 |
|
[ACT]B:601 |
3 |
1 |
183 |
◊ |
[ACT]B:600 |
x,y,z |
1_555 |
3 |
1 |
183 |
31.0 |
-0.8 |
0.639 |
0 |
0 |
0 |
0.006 |
37 |
87 |
|
[ACT]B:600 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13223 |
30.5 |
-0.6 |
0.448 |
0 |
0 |
0 |
0.004 |
38 |
88 |
|
[ACT]E:601 |
4 |
1 |
183 |
◊ |
[ACT]E:600 |
x,y,z |
1_555 |
2 |
1 |
183 |
30.5 |
-0.8 |
0.545 |
0 |
0 |
0 |
0.006 |
39 |
89 |
|
[ACT]A:601 |
4 |
1 |
182 |
◊ |
[ACT]A:600 |
x,y,z |
1_555 |
2 |
1 |
183 |
30.2 |
-0.8 |
0.599 |
0 |
0 |
0 |
0.005 |
40 |
90 |
|
[ACT]D:601 |
3 |
1 |
183 |
◊ |
[ACT]D:600 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.9 |
-0.6 |
0.639 |
0 |
0 |
0 |
0.004 |
41 |
91 |
|
[ACT]F:601 |
3 |
1 |
184 |
◊ |
[ACT]F:600 |
x,y,z |
1_555 |
2 |
1 |
184 |
26.6 |
-0.5 |
0.586 |
0 |
0 |
0 |
0.004 |
42 |
92 |
|
H |
2 |
1 |
13316 |
◊ |
D |
x-1/3,y-2/3,z+1/3 |
4_445 |
4 |
1 |
13216 |
20.8 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
93 |
|
E |
2 |
1 |
13209 |
◊ |
B |
x+2/3,y+1/3,z+1/3 |
4_555 |
3 |
1 |
13131 |
19.5 |
0.5 |
0.832 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
43 |
94 |
|
C |
3 |
1 |
13223 |
◊ |
H |
-y-1/3,x-y-2/3,z-2/3 |
5_444 |
3 |
1 |
13316 |
20.1 |
0.8 |
0.864 |
0 |
0 |
0 |
0.000 |
44 |
95 |
|
B |
1 |
1 |
13131 |
◊ |
E |
-x+y+2/3,-x+1/3,z-2/3 |
6_554 |
3 |
1 |
13209 |
7.4 |
0.4 |
0.831 |
0 |
0 |
0 |
0.000 |
45 |
96 |
|
[CL]G:812 |
1 |
1 |
125 |
x |
[CL]G:812 |
-y,x-y-1,z |
2_545 |
1 |
1 |
125 |
2.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
46 |
97 |
|
B |
1 |
1 |
13131 |
◊ |
H |
-y-1/3,x-y-2/3,z-2/3 |
5_444 |
1 |
1 |
13316 |
2.4 |
0.2 |
0.830 |
0 |
0 |
0 |
0.000 |
47 |
98 |
|
[CL]F:805 |
1 |
1 |
125 |
◊ |
[CL]E:804 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|