## |
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 |
|
[4C9]B:703 |
37 |
1 |
841 |
f |
B |
x,y,z |
1_555 |
70 |
26 |
12567 |
542.3 |
0.4 |
0.334 |
2 |
0 |
0 |
0.003 |
2 |
|
[4C9]A:701 |
37 |
1 |
834 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
12715 |
520.2 |
0.5 |
0.370 |
2 |
0 |
0 |
0.003 |
Average: |
531.3 |
0.5 |
0.352 |
2 |
0 |
0 |
0.003 |
2 |
3 |
|
A |
50 |
16 |
12715 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
39 |
15 |
12567 |
430.4 |
0.5 |
0.810 |
3 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
67 |
14 |
12715 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
50 |
11 |
12567 |
423.4 |
-1.7 |
0.686 |
3 |
1 |
0 |
0.009 |
4 |
5 |
|
A |
39 |
10 |
12715 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
49 |
11 |
12567 |
390.6 |
-2.1 |
0.625 |
5 |
0 |
0 |
0.013 |
5 |
6 |
|
B |
37 |
12 |
12567 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
12715 |
284.0 |
-2.6 |
0.498 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
23 |
7 |
12567 |
x |
B |
x-1,y,z |
1_455 |
25 |
12 |
12567 |
232.3 |
-0.3 |
0.662 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
25 |
6 |
12715 |
x |
A |
x-1,y,z |
1_455 |
27 |
8 |
12715 |
205.5 |
-0.5 |
0.654 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:717 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
12567 |
121.2 |
3.9 |
0.705 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:711 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
12715 |
120.2 |
3.2 |
0.492 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
14 |
5 |
12715 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
12567 |
115.1 |
-1.4 |
0.400 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:710 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
12715 |
113.9 |
3.5 |
0.707 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[SO4]A:712 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12715 |
104.3 |
-15.4 |
0.776 |
3 |
0 |
0 |
0.050 |
13 |
14 |
|
[EDO]B:722 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12567 |
103.6 |
3.6 |
0.542 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[SO4]B:723 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12567 |
86.3 |
-10.7 |
0.811 |
1 |
0 |
0 |
0.033 |
15 |
16 |
|
[EDO]B:721 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12567 |
84.1 |
2.0 |
0.425 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:720 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
12567 |
83.5 |
1.1 |
0.141 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[NA]B:713 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12567 |
79.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.032 |
18 |
19 |
|
[SO4]A:713 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12715 |
79.0 |
-11.0 |
0.836 |
1 |
0 |
0 |
0.034 |
19 |
20 |
|
[EDO]B:718 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12567 |
76.4 |
1.0 |
0.705 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[CL]A:716 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12715 |
75.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.030 |
21 |
22 |
|
[NA]B:709 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12567 |
73.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.032 |
22 |
23 |
|
[NA]A:703 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12715 |
72.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.032 |
23 |
24 |
|
[NA]B:705 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12567 |
71.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.029 |
24 |
25 |
|
[EDO]B:719 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12567 |
70.9 |
1.7 |
0.254 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[NA]A:708 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12715 |
65.9 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.036 |
26 |
27 |
|
[NA]B:714 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12567 |
65.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
28 |
|
[NA]B:716 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12567 |
64.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.035 |
28 |
29 |
|
A |
9 |
4 |
12715 |
◊ |
[SO4]B:723 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
185 |
63.2 |
-8.8 |
0.469 |
1 |
0 |
0 |
0.026 |
29 |
30 |
|
[NA]A:709 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12715 |
62.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.026 |
30 |
31 |
|
[NA]B:712 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12567 |
61.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.026 |
31 |
32 |
|
[NA]B:710 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12567 |
60.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.028 |
32 |
33 |
|
[CL]A:714 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12715 |
59.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
34 |
|
[CL]B:727 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12567 |
58.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.025 |
34 |
35 |
|
[NA]A:706 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12715 |
55.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
36 |
|
[CL]A:715 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12715 |
55.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.019 |
36 |
37 |
|
[NA]B:715 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12567 |
54.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.023 |
37 |
38 |
|
[NA]B:701 |
1 |
1 |
125 |
f |
B |
-x,y-1/2,-z-1 |
2_544 |
10 |
3 |
12567 |
54.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.022 |
38 |
39 |
|
[NA]B:706 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12567 |
53.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.043 |
40 |
|
[NA]A:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12715 |
52.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
53.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.043 |
39 |
41 |
|
B |
8 |
4 |
12567 |
f |
[CL]B:725 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
52.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.019 |
40 |
42 |
|
A |
10 |
3 |
12715 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
12567 |
50.6 |
0.7 |
0.836 |
0 |
1 |
0 |
0.000 |
41 |
43 |
|
[NA]A:704 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12715 |
50.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.020 |
42 |
44 |
|
[CL]B:724 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
12567 |
49.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.019 |
43 |
45 |
|
[4C9]A:701 |
5 |
1 |
834 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12567 |
49.3 |
0.3 |
0.534 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
[NA]A:707 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
12715 |
48.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.018 |
45 |
47 |
|
A |
9 |
4 |
12715 |
f |
[NA]B:707 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
48.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.040 |
48 |
|
[NA]B:711 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12567 |
48.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
48.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.040 |
46 |
49 |
|
[NA]B:701 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
12715 |
46.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.018 |
47 |
50 |
|
[NA]B:708 |
1 |
1 |
125 |
f |
B |
-x,y-1/2,-z-1 |
2_544 |
9 |
4 |
12567 |
45.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.017 |
48 |
51 |
|
[NA]B:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12715 |
45.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.016 |
49 |
52 |
|
B |
7 |
2 |
12567 |
f |
[EDO]B:720 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
183 |
44.2 |
0.6 |
0.510 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
[NA]A:717 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12567 |
41.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.018 |
51 |
54 |
|
A |
7 |
3 |
12715 |
f |
[NA]A:705 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
39.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.014 |
52 |
55 |
|
[SO4]A:712 |
3 |
1 |
185 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
2 |
12567 |
38.7 |
-5.2 |
0.665 |
0 |
0 |
0 |
0.015 |
53 |
56 |
|
B |
5 |
2 |
12567 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
6 |
3 |
12567 |
38.1 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[NA]B:704 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
12567 |
38.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.015 |
55 |
58 |
|
[NA]B:707 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12567 |
36.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
59 |
|
[NA]A:705 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12715 |
36.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[NA]B:702 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
10 |
4 |
12567 |
34.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.011 |
58 |
61 |
|
[CL]A:714 |
1 |
1 |
125 |
f |
[NA]A:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.021 |
59 |
62 |
|
[CL]B:726 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
12567 |
33.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.011 |
60 |
63 |
|
[NA]A:704 |
1 |
1 |
125 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
4 |
12567 |
30.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
64 |
|
A |
4 |
3 |
12715 |
◊ |
[NA]B:711 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
29.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.008 |
62 |
65 |
|
[NA]B:708 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12567 |
29.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[CL]B:726 |
1 |
1 |
125 |
f |
[NA]B:704 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.017 |
64 |
67 |
|
A |
4 |
2 |
12715 |
◊ |
[CL]A:715 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
28.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
68 |
|
[CL]A:716 |
1 |
1 |
125 |
f |
[NA]A:709 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.017 |
66 |
69 |
|
[NA]A:705 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
12567 |
28.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
67 |
70 |
|
[CL]B:726 |
1 |
1 |
125 |
f |
[4C9]B:703 |
x,y,z |
1_555 |
3 |
1 |
841 |
28.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.009 |
68 |
71 |
|
[CL]B:727 |
1 |
1 |
125 |
f |
[NA]B:704 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.017 |
69 |
72 |
|
[NA]B:710 |
1 |
1 |
125 |
f |
[CL]B:725 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
27.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.016 |
70 |
73 |
|
[NA]B:704 |
1 |
1 |
125 |
f |
[4C9]B:703 |
x,y,z |
1_555 |
3 |
1 |
841 |
26.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.009 |
71 |
74 |
|
[NA]B:702 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12567 |
26.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
75 |
|
[CL]B:724 |
1 |
1 |
125 |
f |
[EDO]B:721 |
x,y,z |
1_555 |
3 |
1 |
184 |
24.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.005 |
73 |
76 |
|
[CL]A:715 |
1 |
1 |
125 |
◊ |
[NA]A:705 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
77 |
|
A |
3 |
2 |
12715 |
◊ |
[NA]B:714 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
23.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
78 |
|
A |
6 |
1 |
12715 |
◊ |
[NA]A:717 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
22.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.007 |
76 |
79 |
|
[EDO]B:721 |
4 |
1 |
184 |
f |
[NA]A:717 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
77 |
80 |
|
A |
2 |
1 |
12715 |
◊ |
[NA]B:711 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
125 |
21.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
78 |
81 |
|
A |
6 |
1 |
12715 |
◊ |
[CL]B:724 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
21.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
79 |
82 |
|
[CL]B:724 |
1 |
1 |
125 |
f |
[NA]A:717 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.012 |
80 |
83 |
|
[SO4]B:723 |
3 |
1 |
185 |
◊ |
[NA]B:707 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.012 |
81 |
84 |
|
A |
6 |
3 |
12715 |
◊ |
[EDO]B:721 |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
184 |
18.3 |
0.7 |
0.868 |
0 |
0 |
0 |
0.000 |
82 |
85 |
|
[NA]B:705 |
1 |
1 |
125 |
f |
[CL]B:725 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
17.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.010 |
83 |
86 |
|
[EDO]A:710 |
3 |
1 |
186 |
f |
[NA]A:709 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
84 |
87 |
|
[CL]B:725 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12567 |
15.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
88 |
|
[NA]B:708 |
1 |
1 |
125 |
◊ |
[EDO]B:720 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
183 |
14.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
89 |
|
[CL]B:727 |
1 |
1 |
125 |
f |
[CL]B:726 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.006 |
87 |
90 |
|
[NA]B:710 |
1 |
1 |
125 |
f |
[NA]B:705 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.006 |
88 |
91 |
|
[CL]A:715 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
12567 |
7.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
92 |
|
A |
1 |
1 |
12715 |
◊ |
[NA]A:703 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
7.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
93 |
|
A |
1 |
1 |
12715 |
◊ |
[NA]B:713 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
94 |
|
[CL]B:727 |
1 |
1 |
125 |
f |
[4C9]B:703 |
x,y,z |
1_555 |
1 |
1 |
841 |
6.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
92 |
95 |
|
[EDO]B:722 |
1 |
1 |
184 |
f |
[NA]B:714 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
93 |
96 |
|
[4C9]B:703 |
1 |
1 |
841 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
12567 |
5.1 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
94 |
97 |
|
[NA]B:706 |
1 |
1 |
125 |
f |
[NA]B:705 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.002 |
95 |
98 |
|
[NA]A:704 |
1 |
1 |
125 |
◊ |
[SO4]B:723 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
185 |
3.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.002 |
96 |
99 |
|
A |
2 |
2 |
12715 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
2 |
2 |
12715 |
3.6 |
-0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
97 |
100 |
|
[NA]B:702 |
1 |
1 |
125 |
◊ |
[NA]B:711 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
125 |
3.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
98 |
101 |
|
[CL]B:726 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
12567 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
99 |
102 |
|
[CL]A:716 |
1 |
1 |
125 |
f |
[EDO]A:710 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|