## |
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 |
|
H |
385 |
100 |
15406 |
◊ |
G |
x,y,z |
1_555 |
399 |
105 |
21693 |
3864.9 |
-60.3 |
0.231 |
29 |
5 |
0 |
0.393 |
2 |
|
B |
393 |
99 |
15352 |
◊ |
A |
x,y,z |
1_555 |
405 |
105 |
21671 |
3849.7 |
-59.6 |
0.290 |
29 |
6 |
0 |
0.393 |
Average: |
3857.3 |
-59.9 |
0.261 |
29 |
6 |
0 |
0.393 |
2 |
3 |
|
C |
273 |
64 |
15883 |
◊ |
A |
x,y,z |
1_555 |
285 |
78 |
21671 |
2592.1 |
-56.0 |
0.217 |
11 |
6 |
0 |
0.257 |
4 |
|
I |
274 |
64 |
15848 |
◊ |
G |
x,y,z |
1_555 |
294 |
79 |
21693 |
2589.0 |
-57.9 |
0.200 |
11 |
6 |
0 |
0.257 |
Average: |
2590.6 |
-57.0 |
0.209 |
11 |
6 |
0 |
0.257 |
3 |
5 |
|
[HEA]A:1001 |
60 |
1 |
1130 |
f |
A |
x,y,z |
1_555 |
114 |
46 |
21671 |
875.6 |
-24.6 |
0.566 |
9 |
0 |
0 |
0.230 |
6 |
|
[HEA]G:1001 |
60 |
1 |
1135 |
f |
G |
x,y,z |
1_555 |
106 |
43 |
21693 |
872.1 |
-26.2 |
0.443 |
10 |
0 |
0 |
0.230 |
Average: |
873.9 |
-25.4 |
0.505 |
10 |
0 |
0 |
0.230 |
4 |
7 |
|
[PEH]C:2008 |
49 |
1 |
1346 |
f |
C |
x,y,z |
1_555 |
94 |
32 |
15883 |
831.7 |
-17.3 |
0.788 |
8 |
0 |
0 |
0.209 |
8 |
|
[PEH]I:3008 |
49 |
1 |
1331 |
f |
I |
x,y,z |
1_555 |
93 |
32 |
15848 |
816.1 |
-16.6 |
0.801 |
7 |
0 |
0 |
0.209 |
Average: |
823.9 |
-16.9 |
0.795 |
8 |
0 |
0 |
0.209 |
5 |
9 |
|
[HEA]G:1002 |
59 |
1 |
1156 |
f |
G |
x,y,z |
1_555 |
110 |
38 |
21693 |
819.2 |
-23.8 |
0.592 |
5 |
0 |
0 |
0.201 |
10 |
|
[HEA]A:1002 |
59 |
1 |
1151 |
f |
A |
x,y,z |
1_555 |
112 |
38 |
21671 |
813.6 |
-23.6 |
0.592 |
6 |
0 |
0 |
0.201 |
Average: |
816.4 |
-23.7 |
0.592 |
6 |
0 |
0 |
0.201 |
6 |
11 |
|
D |
56 |
16 |
4192 |
◊ |
C |
x,y,z |
1_555 |
63 |
20 |
15883 |
561.2 |
-10.4 |
0.715 |
7 |
0 |
0 |
0.138 |
12 |
|
J |
57 |
16 |
4178 |
◊ |
I |
x,y,z |
1_555 |
60 |
20 |
15848 |
560.1 |
-10.4 |
0.706 |
7 |
0 |
0 |
0.138 |
Average: |
560.6 |
-10.4 |
0.710 |
7 |
0 |
0 |
0.138 |
7 |
13 |
|
[PEH]A:2009 |
40 |
1 |
1125 |
◊ |
C |
x,y,z |
1_555 |
65 |
21 |
15883 |
471.5 |
-8.9 |
0.790 |
3 |
0 |
0 |
0.042 |
14 |
|
[PEH]G:3009 |
37 |
1 |
1123 |
◊ |
I |
x,y,z |
1_555 |
63 |
21 |
15848 |
469.6 |
-8.6 |
0.791 |
4 |
0 |
0 |
0.042 |
Average: |
470.5 |
-8.7 |
0.790 |
4 |
0 |
0 |
0.042 |
8 |
15 |
|
[PEH]A:2012 |
44 |
1 |
1207 |
◊ |
A |
x,y,z |
1_555 |
58 |
18 |
21671 |
457.9 |
-9.8 |
0.450 |
0 |
0 |
0 |
0.075 |
16 |
|
[PEH]G:3012 |
45 |
1 |
1204 |
◊ |
G |
x,y,z |
1_555 |
58 |
18 |
21693 |
453.7 |
-9.8 |
0.454 |
0 |
0 |
0 |
0.075 |
Average: |
455.8 |
-9.8 |
0.452 |
0 |
0 |
0 |
0.075 |
9 |
17 |
|
[PEH]I:3010 |
43 |
1 |
1159 |
f |
I |
x,y,z |
1_555 |
67 |
18 |
15848 |
456.8 |
-11.6 |
0.652 |
2 |
0 |
0 |
0.127 |
18 |
|
[PEH]C:2010 |
42 |
1 |
1160 |
f |
C |
x,y,z |
1_555 |
69 |
18 |
15883 |
456.3 |
-11.5 |
0.675 |
2 |
0 |
0 |
0.127 |
Average: |
456.6 |
-11.5 |
0.664 |
2 |
0 |
0 |
0.127 |
10 |
19 |
|
[PEH]G:3009 |
37 |
1 |
1123 |
f |
G |
x,y,z |
1_555 |
52 |
18 |
21693 |
443.8 |
-10.4 |
0.394 |
4 |
0 |
0 |
0.091 |
20 |
|
[PEH]A:2009 |
39 |
1 |
1125 |
f |
A |
x,y,z |
1_555 |
54 |
18 |
21671 |
441.7 |
-10.1 |
0.441 |
4 |
0 |
0 |
0.091 |
Average: |
442.8 |
-10.2 |
0.417 |
4 |
0 |
0 |
0.091 |
11 |
21 |
|
[PEH]I:3013 |
35 |
1 |
1109 |
f |
I |
x,y,z |
1_555 |
48 |
14 |
15848 |
390.0 |
-6.0 |
0.896 |
1 |
0 |
0 |
0.066 |
22 |
|
[PEH]C:2013 |
37 |
1 |
1114 |
f |
C |
x,y,z |
1_555 |
49 |
14 |
15883 |
388.0 |
-5.7 |
0.916 |
1 |
0 |
0 |
0.066 |
Average: |
389.0 |
-5.8 |
0.906 |
1 |
0 |
0 |
0.066 |
12 |
23 |
|
I |
43 |
16 |
15848 |
◊ |
B |
x,y,z |
1_555 |
47 |
17 |
15352 |
348.5 |
-2.1 |
0.889 |
4 |
0 |
0 |
0.000 |
13 |
24 |
|
[PEH]G:3012 |
33 |
1 |
1204 |
f |
J |
x,y,z |
1_555 |
36 |
12 |
4178 |
348.4 |
-9.4 |
0.566 |
1 |
0 |
0 |
0.101 |
25 |
|
[PEH]A:2012 |
33 |
1 |
1207 |
f |
D |
x,y,z |
1_555 |
36 |
12 |
4192 |
346.5 |
-9.1 |
0.613 |
1 |
0 |
0 |
0.101 |
Average: |
347.5 |
-9.3 |
0.590 |
1 |
0 |
0 |
0.101 |
14 |
26 |
|
[PEH]J:3011 |
36 |
1 |
1373 |
◊ |
J |
x,y,z |
1_555 |
36 |
10 |
4178 |
343.8 |
-6.5 |
0.826 |
1 |
0 |
0 |
0.071 |
27 |
|
[PEH]D:2011 |
38 |
1 |
1367 |
◊ |
D |
x,y,z |
1_555 |
35 |
10 |
4192 |
342.7 |
-6.2 |
0.817 |
1 |
0 |
0 |
0.071 |
Average: |
343.2 |
-6.3 |
0.822 |
1 |
0 |
0 |
0.071 |
15 |
28 |
|
[PEH]J:3011 |
27 |
1 |
1373 |
f |
I |
x,y,z |
1_555 |
31 |
7 |
15848 |
261.6 |
-7.1 |
0.611 |
0 |
0 |
0 |
0.080 |
29 |
|
[PEH]D:2011 |
27 |
1 |
1367 |
f |
C |
x,y,z |
1_555 |
30 |
7 |
15883 |
257.1 |
-7.1 |
0.604 |
2 |
0 |
0 |
0.080 |
Average: |
259.4 |
-7.1 |
0.607 |
1 |
0 |
0 |
0.080 |
16 |
30 |
|
[PEH]J:3011 |
23 |
1 |
1373 |
◊ |
G |
x,y,z |
1_555 |
34 |
10 |
21693 |
244.0 |
-4.7 |
0.692 |
1 |
0 |
0 |
0.021 |
31 |
|
[PEH]D:2011 |
22 |
1 |
1367 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
21671 |
243.7 |
-4.8 |
0.715 |
1 |
0 |
0 |
0.021 |
Average: |
243.8 |
-4.8 |
0.704 |
1 |
0 |
0 |
0.021 |
17 |
32 |
|
[PEH]J:3011 |
32 |
1 |
1373 |
f |
[PEH]I:3010 |
x,y,z |
1_555 |
30 |
1 |
1159 |
239.5 |
-4.7 |
0.948 |
0 |
0 |
0 |
0.048 |
33 |
|
[PEH]D:2011 |
30 |
1 |
1367 |
f |
[PEH]C:2010 |
x,y,z |
1_555 |
30 |
1 |
1160 |
235.1 |
-4.6 |
0.942 |
0 |
0 |
0 |
0.048 |
Average: |
237.3 |
-4.6 |
0.945 |
0 |
0 |
0 |
0.048 |
18 |
34 |
|
I |
33 |
10 |
15848 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
21671 |
237.9 |
-1.1 |
0.815 |
1 |
1 |
0 |
0.000 |
19 |
35 |
|
G |
32 |
11 |
21693 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
22 |
7 |
15352 |
225.7 |
-0.8 |
0.819 |
1 |
0 |
0 |
0.000 |
20 |
36 |
|
[PEH]C:2013 |
25 |
1 |
1114 |
◊ |
D |
x,y,z |
1_555 |
22 |
9 |
4192 |
224.7 |
-4.5 |
0.672 |
0 |
0 |
0 |
0.045 |
37 |
|
[PEH]I:3013 |
25 |
1 |
1109 |
◊ |
J |
x,y,z |
1_555 |
23 |
9 |
4178 |
219.4 |
-4.4 |
0.715 |
0 |
0 |
0 |
0.045 |
Average: |
222.1 |
-4.4 |
0.693 |
0 |
0 |
0 |
0.045 |
21 |
38 |
|
D |
22 |
8 |
4192 |
◊ |
A |
x,y,z |
1_555 |
29 |
12 |
21671 |
205.8 |
-2.9 |
0.721 |
0 |
0 |
0 |
0.025 |
39 |
|
J |
23 |
8 |
4178 |
◊ |
G |
x,y,z |
1_555 |
27 |
12 |
21693 |
204.8 |
-2.9 |
0.725 |
1 |
0 |
0 |
0.025 |
Average: |
205.3 |
-2.9 |
0.723 |
1 |
0 |
0 |
0.025 |
22 |
40 |
|
J |
24 |
9 |
4178 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
15883 |
199.4 |
-1.5 |
0.938 |
0 |
0 |
0 |
0.000 |
23 |
41 |
|
J |
19 |
5 |
4178 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
15352 |
194.4 |
-3.2 |
0.611 |
1 |
0 |
0 |
0.000 |
24 |
42 |
|
I |
18 |
8 |
15848 |
◊ |
H |
x,y,z |
1_555 |
21 |
6 |
15406 |
185.6 |
-1.5 |
0.698 |
1 |
0 |
0 |
0.006 |
43 |
|
C |
18 |
7 |
15883 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
15352 |
171.1 |
-1.5 |
0.712 |
1 |
0 |
0 |
0.006 |
Average: |
178.3 |
-1.5 |
0.705 |
1 |
0 |
0 |
0.006 |
25 |
44 |
|
[PEH]I:3010 |
19 |
1 |
1159 |
◊ |
G |
x,y,z |
1_555 |
29 |
12 |
21693 |
171.3 |
-2.5 |
0.712 |
2 |
0 |
0 |
0.014 |
45 |
|
[PEH]C:2010 |
20 |
1 |
1160 |
◊ |
A |
x,y,z |
1_555 |
27 |
12 |
21671 |
170.1 |
-2.6 |
0.668 |
2 |
0 |
0 |
0.014 |
Average: |
170.7 |
-2.5 |
0.690 |
2 |
0 |
0 |
0.014 |
26 |
46 |
|
H |
13 |
5 |
15406 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
23 |
8 |
21671 |
164.2 |
-0.9 |
0.636 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
[PEH]C:2010 |
18 |
1 |
1160 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
4192 |
140.0 |
-3.4 |
0.321 |
0 |
0 |
0 |
0.034 |
48 |
|
[PEH]I:3010 |
18 |
1 |
1159 |
◊ |
J |
x,y,z |
1_555 |
9 |
6 |
4178 |
137.3 |
-3.1 |
0.296 |
0 |
0 |
0 |
0.034 |
Average: |
138.7 |
-3.3 |
0.309 |
0 |
0 |
0 |
0.034 |
28 |
49 |
|
[PEH]C:2008 |
12 |
1 |
1346 |
◊ |
[PEH]A:2009 |
x,y,z |
1_555 |
23 |
1 |
1125 |
130.8 |
-2.6 |
0.897 |
0 |
0 |
0 |
0.011 |
50 |
|
[PEH]I:3008 |
11 |
1 |
1331 |
◊ |
[PEH]G:3009 |
x,y,z |
1_555 |
22 |
1 |
1123 |
126.1 |
-2.8 |
0.868 |
0 |
0 |
0 |
0.011 |
Average: |
128.5 |
-2.7 |
0.883 |
0 |
0 |
0 |
0.011 |
29 |
51 |
|
[HEA]G:1002 |
7 |
1 |
1156 |
◊ |
H |
x,y,z |
1_555 |
15 |
8 |
15406 |
128.1 |
-1.2 |
0.432 |
0 |
0 |
0 |
0.007 |
52 |
|
[HEA]A:1002 |
7 |
1 |
1151 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
15352 |
126.1 |
-1.3 |
0.434 |
0 |
0 |
0 |
0.007 |
Average: |
127.1 |
-1.3 |
0.433 |
0 |
0 |
0 |
0.007 |
30 |
53 |
|
[PEH]D:2011 |
8 |
1 |
1367 |
◊ |
[PEH]A:2012 |
x,y,z |
1_555 |
11 |
1 |
1207 |
107.2 |
-3.4 |
0.688 |
0 |
0 |
0 |
0.034 |
54 |
|
[PEH]J:3011 |
8 |
1 |
1373 |
◊ |
[PEH]G:3012 |
x,y,z |
1_555 |
11 |
1 |
1204 |
105.3 |
-3.3 |
0.690 |
0 |
0 |
0 |
0.034 |
Average: |
106.3 |
-3.3 |
0.689 |
0 |
0 |
0 |
0.034 |
31 |
55 |
|
C |
10 |
3 |
15883 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
21693 |
105.9 |
0.7 |
0.861 |
1 |
3 |
0 |
0.000 |
32 |
56 |
|
G |
11 |
4 |
21693 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
8 |
2 |
21671 |
97.2 |
1.5 |
0.922 |
1 |
2 |
0 |
0.000 |
33 |
57 |
|
J |
14 |
7 |
4178 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
21671 |
97.0 |
-0.5 |
0.790 |
1 |
0 |
0 |
0.000 |
34 |
58 |
|
[PEH]G:3012 |
8 |
1 |
1204 |
◊ |
I |
x,y,z |
1_555 |
14 |
4 |
15848 |
94.2 |
-3.0 |
0.382 |
0 |
0 |
0 |
0.032 |
59 |
|
[PEH]A:2012 |
8 |
1 |
1207 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
15883 |
93.2 |
-3.2 |
0.324 |
0 |
0 |
0 |
0.032 |
Average: |
93.7 |
-3.1 |
0.353 |
0 |
0 |
0 |
0.032 |
35 |
60 |
|
G |
7 |
3 |
21693 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
10 |
3 |
21671 |
88.4 |
0.4 |
0.899 |
2 |
4 |
0 |
0.000 |
36 |
61 |
|
[PEH]C:2013 |
10 |
1 |
1114 |
f |
[PEH]C:2010 |
x,y,z |
1_555 |
6 |
1 |
1160 |
68.7 |
-1.8 |
0.613 |
0 |
0 |
0 |
0.018 |
62 |
|
[PEH]I:3013 |
10 |
1 |
1109 |
f |
[PEH]I:3010 |
x,y,z |
1_555 |
6 |
1 |
1159 |
64.7 |
-1.6 |
0.637 |
0 |
0 |
0 |
0.018 |
Average: |
66.7 |
-1.7 |
0.625 |
0 |
0 |
0 |
0.018 |
37 |
63 |
|
H |
8 |
3 |
15406 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
8 |
3 |
21671 |
62.4 |
1.2 |
0.904 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
I |
9 |
3 |
15848 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
15883 |
61.2 |
-0.7 |
0.601 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
[PEH]I:3010 |
7 |
1 |
1159 |
◊ |
[PEH]G:3012 |
x,y,z |
1_555 |
4 |
1 |
1204 |
55.2 |
-1.8 |
0.564 |
0 |
0 |
0 |
0.018 |
66 |
|
[PEH]C:2010 |
7 |
1 |
1160 |
◊ |
[PEH]A:2012 |
x,y,z |
1_555 |
4 |
1 |
1207 |
54.5 |
-1.7 |
0.574 |
0 |
0 |
0 |
0.018 |
Average: |
54.8 |
-1.8 |
0.569 |
0 |
0 |
0 |
0.018 |
40 |
67 |
|
[CU]A:1005 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
21671 |
53.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.076 |
68 |
|
[CU]G:1005 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
21693 |
53.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
53.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.076 |
41 |
69 |
|
[MG]A:2006 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
21671 |
48.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.048 |
70 |
|
[MG]G:3006 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
21693 |
47.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
47.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.048 |
42 |
71 |
|
[CA]A:1007 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
21671 |
43.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.096 |
72 |
|
[CA]G:1007 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
6 |
6 |
21693 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
43.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.096 |
43 |
73 |
|
[CU]H:1004 |
1 |
1 |
125 |
f |
[CU]H:1003 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.054 |
44 |
74 |
|
[CU]B:1004 |
1 |
1 |
125 |
f |
[CU]B:1003 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.054 |
45 |
75 |
|
[MG]A:2006 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
15352 |
33.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.020 |
76 |
|
[MG]G:3006 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
15406 |
33.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
33.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.020 |
46 |
77 |
|
[HEA]A:1002 |
3 |
1 |
1151 |
f |
[HEA]A:1001 |
x,y,z |
1_555 |
4 |
1 |
1130 |
30.1 |
-1.7 |
0.467 |
0 |
0 |
0 |
0.013 |
78 |
|
[HEA]G:1002 |
3 |
1 |
1156 |
f |
[HEA]G:1001 |
x,y,z |
1_555 |
4 |
1 |
1135 |
28.3 |
-1.5 |
0.521 |
0 |
0 |
0 |
0.013 |
Average: |
29.2 |
-1.6 |
0.494 |
0 |
0 |
0 |
0.013 |
47 |
79 |
|
[HEA]A:1002 |
16 |
1 |
1151 |
f |
[CU]A:1005 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.028 |
80 |
|
[HEA]G:1002 |
11 |
1 |
1156 |
f |
[CU]G:1005 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
25.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.028 |
48 |
81 |
|
[PEH]C:2013 |
4 |
1 |
1114 |
◊ |
[PEH]A:2012 |
x,y,z |
1_555 |
2 |
1 |
1207 |
27.5 |
-0.1 |
0.705 |
0 |
0 |
0 |
0.002 |
82 |
|
[PEH]I:3013 |
4 |
1 |
1109 |
◊ |
[PEH]G:3012 |
x,y,z |
1_555 |
2 |
1 |
1204 |
25.4 |
-0.2 |
0.703 |
0 |
0 |
0 |
0.002 |
Average: |
26.4 |
-0.1 |
0.704 |
0 |
0 |
0 |
0.002 |
49 |
83 |
|
[PEH]I:3010 |
4 |
1 |
1159 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
15406 |
22.5 |
-0.0 |
0.729 |
1 |
0 |
0 |
0.002 |
84 |
|
[PEH]C:2010 |
4 |
1 |
1160 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15352 |
21.8 |
-0.2 |
0.702 |
1 |
0 |
0 |
0.002 |
Average: |
22.2 |
-0.1 |
0.715 |
1 |
0 |
0 |
0.002 |
50 |
85 |
|
[CU]H:1003 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
21693 |
7.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
86 |
|
[CU]B:1003 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
21671 |
5.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
6.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
51 |
87 |
|
[PEH]I:3008 |
1 |
1 |
1331 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15352 |
4.9 |
0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
52 |
88 |
|
H |
1 |
1 |
15406 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
1 |
1 |
15883 |
3.1 |
0.1 |
0.821 |
0 |
0 |
0 |
0.000 |
|