| ## |
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 |
356 |
88 |
24947 |
◊ |
A |
x,y,z |
1_555 |
389 |
103 |
25098 |
3406.6 |
-14.8 |
0.275 |
38 |
27 |
0 |
0.388 |
2 |
|
B |
397 |
108 |
23433 |
◊ |
A |
x,y,z |
1_555 |
369 |
93 |
25098 |
3305.6 |
-13.1 |
0.201 |
41 |
22 |
0 |
0.388 |
3 |
|
D |
359 |
100 |
23103 |
◊ |
C |
x,y,z |
1_555 |
357 |
89 |
23160 |
3291.7 |
-12.9 |
0.282 |
35 |
18 |
0 |
0.388 |
4 |
|
C |
365 |
103 |
23160 |
◊ |
B |
x,y,z |
1_555 |
353 |
88 |
23433 |
3272.0 |
-17.7 |
0.136 |
38 |
23 |
0 |
0.388 |
5 |
|
E |
356 |
97 |
23873 |
◊ |
D |
x,y,z |
1_555 |
347 |
86 |
23103 |
3204.5 |
-12.7 |
0.241 |
29 |
22 |
0 |
0.388 |
6 |
|
F |
358 |
98 |
24947 |
◊ |
E |
x,y,z |
1_555 |
335 |
83 |
23873 |
3172.4 |
-22.3 |
0.094 |
41 |
23 |
0 |
0.388 |
| Average: |
3275.5 |
-15.6 |
0.205 |
37 |
23 |
0 |
0.388 |
| 2 |
7 |
|
C |
79 |
25 |
23160 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
81 |
26 |
24947 |
694.6 |
1.2 |
0.625 |
3 |
6 |
0 |
0.000 |
| 3 |
8 |
|
D |
65 |
15 |
23103 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
66 |
18 |
24947 |
565.7 |
-1.2 |
0.559 |
6 |
6 |
0 |
0.000 |
| 4 |
9 |
|
D |
58 |
16 |
23103 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
59 |
14 |
25098 |
507.6 |
-0.7 |
0.365 |
4 |
1 |
0 |
0.000 |
| 5 |
10 |
|
B |
46 |
15 |
23433 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
40 |
16 |
25098 |
398.2 |
1.3 |
0.682 |
6 |
4 |
0 |
0.000 |
| 6 |
11 |
|
[ATP]B:903 |
29 |
1 |
631 |
f |
B |
x,y,z |
1_555 |
47 |
15 |
23433 |
306.5 |
-3.6 |
0.506 |
13 |
0 |
0 |
0.083 |
12 |
|
[ATP]C:903 |
28 |
1 |
636 |
f |
C |
x,y,z |
1_555 |
45 |
16 |
23160 |
294.4 |
-4.2 |
0.454 |
14 |
0 |
0 |
0.083 |
13 |
|
[ATP]A:903 |
29 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
41 |
14 |
25098 |
290.4 |
-3.6 |
0.510 |
16 |
0 |
0 |
0.083 |
14 |
|
[ATP]F:903 |
30 |
1 |
638 |
f |
F |
x,y,z |
1_555 |
42 |
14 |
24947 |
285.9 |
-3.1 |
0.520 |
9 |
0 |
0 |
0.083 |
15 |
|
[ATP]D:903 |
29 |
1 |
625 |
f |
D |
x,y,z |
1_555 |
44 |
15 |
23103 |
280.4 |
-3.3 |
0.501 |
10 |
0 |
0 |
0.083 |
| Average: |
291.5 |
-3.6 |
0.498 |
12 |
0 |
0 |
0.083 |
| 7 |
16 |
|
[ATP]E:901 |
29 |
1 |
627 |
f |
E |
x,y,z |
1_555 |
51 |
18 |
23873 |
299.8 |
-5.4 |
0.369 |
9 |
0 |
0 |
0.081 |
17 |
|
[ATP]F:901 |
29 |
1 |
622 |
f |
F |
x,y,z |
1_555 |
53 |
17 |
24947 |
294.4 |
-4.6 |
0.443 |
9 |
0 |
0 |
0.081 |
18 |
|
[ATP]B:901 |
29 |
1 |
631 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
23433 |
293.3 |
-4.7 |
0.448 |
8 |
0 |
0 |
0.081 |
19 |
|
[ATP]D:901 |
30 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
52 |
17 |
23103 |
287.2 |
-4.3 |
0.447 |
9 |
0 |
0 |
0.081 |
20 |
|
[ATP]A:901 |
29 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
46 |
18 |
25098 |
285.3 |
-4.6 |
0.473 |
12 |
0 |
0 |
0.081 |
| Average: |
292.0 |
-4.7 |
0.436 |
9 |
0 |
0 |
0.081 |
| 8 |
21 |
|
[ATP]C:901 |
30 |
1 |
622 |
f |
C |
x,y,z |
1_555 |
52 |
18 |
23160 |
293.6 |
-4.1 |
0.478 |
12 |
0 |
0 |
0.036 |
| 9 |
22 |
|
[ATP]E:903 |
28 |
1 |
625 |
f |
E |
x,y,z |
1_555 |
42 |
17 |
23873 |
283.3 |
-3.2 |
0.538 |
10 |
0 |
0 |
0.026 |
| 10 |
23 |
|
[ATP]F:903 |
21 |
1 |
638 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
25098 |
219.1 |
0.4 |
0.560 |
3 |
0 |
0 |
0.021 |
24 |
|
[ATP]B:903 |
21 |
1 |
631 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
23160 |
218.7 |
-0.2 |
0.594 |
7 |
0 |
0 |
0.021 |
25 |
|
[ATP]C:903 |
21 |
1 |
636 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
23103 |
216.4 |
-0.4 |
0.524 |
4 |
0 |
0 |
0.021 |
26 |
|
[ATP]D:903 |
21 |
1 |
625 |
◊ |
E |
x,y,z |
1_555 |
29 |
10 |
23873 |
215.4 |
-0.2 |
0.627 |
5 |
0 |
0 |
0.021 |
27 |
|
[ATP]A:903 |
22 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
23433 |
211.8 |
-0.8 |
0.464 |
4 |
0 |
0 |
0.021 |
| Average: |
216.3 |
-0.2 |
0.554 |
5 |
0 |
0 |
0.021 |
| 11 |
28 |
|
[ATP]E:901 |
21 |
1 |
627 |
◊ |
F |
x,y,z |
1_555 |
32 |
11 |
24947 |
214.2 |
1.9 |
0.776 |
3 |
0 |
0 |
0.005 |
29 |
|
[ATP]B:901 |
22 |
1 |
631 |
◊ |
C |
x,y,z |
1_555 |
36 |
10 |
23160 |
210.7 |
2.0 |
0.764 |
5 |
0 |
0 |
0.005 |
30 |
|
[ATP]D:901 |
21 |
1 |
624 |
◊ |
E |
x,y,z |
1_555 |
33 |
10 |
23873 |
209.0 |
2.1 |
0.797 |
5 |
0 |
0 |
0.005 |
31 |
|
[ATP]A:901 |
20 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
23433 |
206.7 |
1.3 |
0.697 |
6 |
0 |
0 |
0.005 |
32 |
|
[ATP]F:901 |
20 |
1 |
622 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
25098 |
201.0 |
1.4 |
0.742 |
6 |
0 |
0 |
0.005 |
| Average: |
208.3 |
1.7 |
0.755 |
5 |
0 |
0 |
0.005 |
| 12 |
33 |
|
[ATP]E:903 |
21 |
1 |
625 |
◊ |
F |
x,y,z |
1_555 |
31 |
10 |
24947 |
202.2 |
-0.7 |
0.556 |
5 |
0 |
0 |
0.005 |
| 13 |
34 |
|
[ATP]C:901 |
21 |
1 |
622 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
23103 |
199.8 |
1.4 |
0.725 |
5 |
0 |
0 |
0.002 |
| 14 |
35 |
|
D |
19 |
5 |
23103 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
6 |
23873 |
163.8 |
1.3 |
0.740 |
3 |
0 |
0 |
0.000 |
| 15 |
36 |
|
C |
16 |
5 |
23160 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
21 |
8 |
25098 |
138.9 |
1.4 |
0.765 |
1 |
0 |
0 |
0.000 |
| 16 |
37 |
|
C |
14 |
6 |
23160 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
21 |
7 |
25098 |
108.0 |
0.3 |
0.655 |
0 |
0 |
0 |
0.000 |
| 17 |
38 |
|
E |
6 |
2 |
23873 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
8 |
3 |
23433 |
69.1 |
-0.6 |
0.405 |
0 |
0 |
0 |
0.000 |
| 18 |
39 |
|
C |
10 |
3 |
23160 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
9 |
2 |
23433 |
64.5 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 19 |
40 |
|
E |
4 |
1 |
23873 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
5 |
24947 |
59.1 |
-0.7 |
0.219 |
1 |
1 |
0 |
0.000 |
| 20 |
41 |
|
B |
5 |
2 |
23433 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
24947 |
53.5 |
-0.8 |
0.171 |
0 |
0 |
0 |
0.000 |
| 21 |
42 |
|
E |
6 |
2 |
23873 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
7 |
2 |
25098 |
52.3 |
1.2 |
0.656 |
1 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
23433 |
43.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.065 |
44 |
|
[MG]E:702 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
10 |
7 |
23873 |
39.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.065 |
45 |
|
[MG]D:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
9 |
6 |
23103 |
39.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.065 |
46 |
|
[MG]A:701 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
25098 |
37.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.065 |
47 |
|
[MG]F:520 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
24947 |
32.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.065 |
48 |
|
[MG]C:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
9 |
7 |
23160 |
30.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.065 |
49 |
|
[MG]E:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
23103 |
29.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.065 |
50 |
|
[MG]A:521 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
24947 |
26.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.065 |
51 |
|
[MG]F:701 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
23873 |
22.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
33.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.065 |
| 23 |
52 |
|
D |
5 |
2 |
23103 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
24947 |
43.1 |
0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
| 24 |
53 |
|
[MG]E:520 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
15 |
8 |
23873 |
38.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.043 |
54 |
|
[MG]B:801 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
23433 |
38.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.043 |
55 |
|
[MG]F:802 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
11 |
7 |
24947 |
36.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.043 |
56 |
|
[MG]C:801 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
23160 |
36.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.043 |
57 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
25098 |
34.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.043 |
58 |
|
[MG]D:802 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
23103 |
29.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
35.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.043 |
| 25 |
59 |
|
E |
7 |
2 |
23873 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
5 |
2 |
23433 |
38.1 |
-0.4 |
0.439 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
6 |
25098 |
34.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 27 |
61 |
|
[MG]C:802 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
23160 |
32.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
62 |
|
[MG]A:802 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
25098 |
31.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.029 |
63 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
23433 |
30.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.029 |
64 |
|
[MG]E:801 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
23103 |
29.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.029 |
65 |
|
[MG]A:520 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
24947 |
24.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
29.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| 28 |
66 |
|
[MG]F:520 |
1 |
1 |
98 |
◊ |
[ATP]F:903 |
x,y,z |
1_555 |
8 |
1 |
638 |
32.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.089 |
67 |
|
[MG]E:520 |
1 |
1 |
98 |
◊ |
[ATP]E:901 |
x,y,z |
1_555 |
6 |
1 |
627 |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.089 |
68 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
[ATP]C:903 |
x,y,z |
1_555 |
6 |
1 |
636 |
31.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.089 |
69 |
|
[MG]C:801 |
1 |
1 |
98 |
◊ |
[ATP]C:901 |
x,y,z |
1_555 |
7 |
1 |
622 |
29.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.089 |
70 |
|
[MG]E:702 |
1 |
1 |
98 |
◊ |
[ATP]E:903 |
x,y,z |
1_555 |
4 |
1 |
625 |
29.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.089 |
71 |
|
[MG]D:802 |
1 |
1 |
98 |
◊ |
[ATP]D:901 |
x,y,z |
1_555 |
8 |
1 |
624 |
29.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.089 |
72 |
|
[MG]B:801 |
1 |
1 |
98 |
◊ |
[ATP]B:901 |
x,y,z |
1_555 |
7 |
1 |
631 |
28.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.089 |
73 |
|
[MG]C:701 |
1 |
1 |
98 |
◊ |
[ATP]C:903 |
x,y,z |
1_555 |
4 |
1 |
636 |
28.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.089 |
74 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
[ATP]A:901 |
x,y,z |
1_555 |
8 |
1 |
626 |
27.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
75 |
|
[MG]F:802 |
1 |
1 |
98 |
◊ |
[ATP]F:901 |
x,y,z |
1_555 |
8 |
1 |
622 |
27.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
76 |
|
[MG]A:701 |
1 |
1 |
98 |
◊ |
[ATP]A:903 |
x,y,z |
1_555 |
6 |
1 |
636 |
26.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.089 |
77 |
|
[MG]D:702 |
1 |
1 |
98 |
◊ |
[ATP]D:903 |
x,y,z |
1_555 |
7 |
1 |
625 |
26.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.089 |
78 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
[ATP]B:903 |
x,y,z |
1_555 |
6 |
1 |
631 |
26.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.089 |
79 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
[ATP]A:903 |
x,y,z |
1_555 |
4 |
1 |
636 |
21.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
28.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.089 |
| 29 |
80 |
|
[MG]A:520 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
25098 |
30.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.026 |
81 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
23433 |
26.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.026 |
82 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
23103 |
25.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.026 |
83 |
|
[MG]E:801 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
4 |
23873 |
24.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.026 |
84 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
23160 |
22.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
25.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 30 |
85 |
|
[MG]E:701 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
23873 |
29.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.012 |
86 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
23433 |
28.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
29.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 31 |
87 |
|
[MG]A:521 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
25098 |
29.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.014 |
88 |
|
[MG]F:701 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
24947 |
29.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
29.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 32 |
89 |
|
[MG]F:701 |
1 |
1 |
98 |
◊ |
[ATP]E:903 |
x,y,z |
1_555 |
6 |
1 |
625 |
28.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.035 |
90 |
|
[MG]A:521 |
1 |
1 |
98 |
◊ |
[ATP]F:903 |
x,y,z |
1_555 |
5 |
1 |
638 |
27.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.035 |
91 |
|
[MG]E:801 |
1 |
1 |
98 |
◊ |
[ATP]D:901 |
x,y,z |
1_555 |
5 |
1 |
624 |
26.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
92 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
[ATP]B:901 |
x,y,z |
1_555 |
6 |
1 |
631 |
26.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.035 |
93 |
|
[MG]C:802 |
1 |
1 |
98 |
◊ |
[ATP]C:901 |
x,y,z |
1_555 |
6 |
1 |
622 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
94 |
|
[MG]A:802 |
1 |
1 |
98 |
◊ |
[ATP]A:901 |
x,y,z |
1_555 |
6 |
1 |
626 |
25.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.035 |
95 |
|
[MG]E:701 |
1 |
1 |
98 |
◊ |
[ATP]D:903 |
x,y,z |
1_555 |
4 |
1 |
625 |
24.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
26.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.035 |
| 33 |
96 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
23160 |
25.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 34 |
97 |
|
[MG]A:520 |
1 |
1 |
98 |
◊ |
[ATP]F:901 |
x,y,z |
1_555 |
4 |
1 |
622 |
25.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 35 |
98 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
23103 |
21.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
99 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
23160 |
14.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
100 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
23103 |
13.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
101 |
|
[MG]F:520 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
25098 |
13.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
102 |
|
[MG]E:702 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
24947 |
9.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
103 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
23433 |
9.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
104 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
23873 |
6.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
12.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 36 |
105 |
|
[MG]D:802 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
23873 |
21.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
106 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
23433 |
18.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.014 |
107 |
|
[MG]E:520 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
24947 |
17.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
108 |
|
[MG]F:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
25098 |
16.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.014 |
109 |
|
[MG]B:801 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
23160 |
8.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
110 |
|
[MG]C:801 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
23103 |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
15.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 37 |
111 |
|
B |
2 |
1 |
23433 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
24947 |
19.9 |
0.4 |
0.802 |
0 |
1 |
0 |
0.000 |
| 38 |
112 |
|
E |
2 |
1 |
23873 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
2 |
23160 |
19.2 |
-0.5 |
0.254 |
0 |
0 |
0 |
0.000 |
| 39 |
113 |
|
D |
3 |
1 |
23103 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
24947 |
19.0 |
-0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
| 40 |
114 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 41 |
115 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
[MG]C:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| 42 |
116 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[MG]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| 43 |
117 |
|
[MG]E:801 |
1 |
1 |
98 |
f |
[MG]D:802 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 44 |
118 |
|
[MG]E:701 |
1 |
1 |
98 |
f |
[MG]D:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 45 |
119 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[MG]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 46 |
120 |
|
C |
3 |
1 |
23160 |
◊ |
E |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
2 |
23873 |
9.1 |
-0.3 |
0.454 |
0 |
0 |
0 |
0.000 |
| 47 |
121 |
|
[MG]F:701 |
1 |
1 |
98 |
f |
[MG]E:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 48 |
122 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 49 |
123 |
|
[MG]F:802 |
1 |
1 |
98 |
f |
[MG]A:520 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 50 |
124 |
|
[MG]F:520 |
1 |
1 |
98 |
f |
[MG]A:521 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
|