## |
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 |
|
J |
25 |
9 |
1736 |
◊ |
I |
x,y,z |
1_555 |
28 |
9 |
1821 |
267.1 |
-5.7 |
0.320 |
0 |
0 |
0 |
0.177 |
2 |
|
H |
19 |
8 |
1724 |
◊ |
G |
x,y,z |
1_555 |
18 |
7 |
1744 |
196.4 |
-3.8 |
0.375 |
0 |
0 |
0 |
0.177 |
Average: |
231.7 |
-4.7 |
0.347 |
0 |
0 |
0 |
0.177 |
2 |
3 |
|
K |
23 |
7 |
1701 |
◊ |
K |
y-1,x+1,-z |
4_465 |
23 |
7 |
1701 |
235.1 |
-0.6 |
0.774 |
0 |
0 |
0 |
0.005 |
3 |
4 |
|
E |
29 |
8 |
1909 |
◊ |
D |
x,y,z |
1_555 |
24 |
5 |
1866 |
234.7 |
-2.7 |
0.659 |
4 |
0 |
0 |
0.286 |
5 |
|
C |
26 |
8 |
1901 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
1868 |
219.2 |
-2.7 |
0.633 |
4 |
0 |
0 |
0.286 |
6 |
|
F |
26 |
8 |
1869 |
◊ |
E |
x,y,z |
1_555 |
21 |
5 |
1909 |
217.8 |
-3.3 |
0.582 |
3 |
0 |
0 |
0.286 |
7 |
|
C |
21 |
6 |
1901 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
1857 |
212.4 |
-3.3 |
0.567 |
3 |
0 |
0 |
0.286 |
8 |
|
B |
22 |
6 |
1857 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
1868 |
210.5 |
-3.4 |
0.523 |
3 |
0 |
0 |
0.286 |
9 |
|
F |
22 |
6 |
1869 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
1866 |
201.2 |
-3.1 |
0.546 |
4 |
0 |
0 |
0.286 |
Average: |
216.0 |
-3.1 |
0.585 |
4 |
0 |
0 |
0.286 |
4 |
10 |
|
I |
23 |
5 |
1821 |
◊ |
E |
x,y,z |
1_555 |
25 |
8 |
1909 |
227.0 |
-3.6 |
0.584 |
2 |
0 |
0 |
0.140 |
5 |
11 |
|
E |
25 |
5 |
1909 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
1868 |
220.8 |
-4.2 |
0.520 |
1 |
0 |
0 |
0.229 |
12 |
|
D |
21 |
5 |
1866 |
◊ |
C |
x,y,z |
1_555 |
23 |
5 |
1901 |
217.4 |
-3.7 |
0.515 |
1 |
0 |
0 |
0.229 |
13 |
|
F |
27 |
6 |
1869 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
1857 |
214.7 |
-4.1 |
0.555 |
1 |
0 |
0 |
0.229 |
Average: |
217.7 |
-4.0 |
0.530 |
1 |
0 |
0 |
0.229 |
6 |
14 |
|
L |
19 |
8 |
1721 |
◊ |
K |
x,y,z |
1_555 |
17 |
6 |
1701 |
217.4 |
-4.6 |
0.266 |
0 |
0 |
0 |
0.016 |
7 |
15 |
|
L |
20 |
5 |
1721 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
1866 |
207.0 |
-2.6 |
0.593 |
2 |
0 |
0 |
0.064 |
16 |
|
K |
20 |
5 |
1701 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
1868 |
198.9 |
-2.0 |
0.642 |
3 |
0 |
0 |
0.064 |
Average: |
203.0 |
-2.3 |
0.618 |
3 |
0 |
0 |
0.064 |
8 |
17 |
|
G |
23 |
5 |
1744 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
1901 |
194.5 |
-2.8 |
0.578 |
2 |
0 |
0 |
0.083 |
18 |
|
J |
23 |
5 |
1736 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
1857 |
192.6 |
-2.4 |
0.625 |
2 |
0 |
0 |
0.083 |
19 |
|
H |
23 |
5 |
1724 |
◊ |
F |
x,y,z |
1_555 |
20 |
8 |
1869 |
191.1 |
-2.5 |
0.642 |
2 |
0 |
0 |
0.083 |
Average: |
192.7 |
-2.5 |
0.615 |
2 |
0 |
0 |
0.083 |
9 |
20 |
|
H |
28 |
7 |
1724 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
1857 |
189.6 |
-3.5 |
0.527 |
2 |
0 |
0 |
0.163 |
21 |
|
G |
26 |
7 |
1744 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
1866 |
187.3 |
-3.5 |
0.493 |
1 |
0 |
0 |
0.163 |
22 |
|
J |
25 |
6 |
1736 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
1869 |
160.7 |
-2.4 |
0.595 |
1 |
0 |
0 |
0.163 |
23 |
|
L |
22 |
5 |
1721 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
1901 |
139.7 |
-2.1 |
0.588 |
1 |
0 |
0 |
0.163 |
Average: |
169.3 |
-2.9 |
0.551 |
1 |
0 |
0 |
0.163 |
10 |
24 |
|
J |
26 |
9 |
1736 |
◊ |
A |
y-1,x,-z |
4_455 |
19 |
4 |
1868 |
184.6 |
-3.2 |
0.512 |
0 |
0 |
0 |
0.047 |
25 |
|
D |
20 |
5 |
1866 |
◊ |
H |
x-y,-y+1,-z-1/3 |
5_564 |
23 |
7 |
1724 |
179.0 |
-3.3 |
0.533 |
0 |
0 |
0 |
0.047 |
Average: |
181.8 |
-3.2 |
0.522 |
0 |
0 |
0 |
0.047 |
11 |
26 |
|
I |
24 |
7 |
1821 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
1868 |
172.1 |
-2.6 |
0.633 |
2 |
0 |
0 |
0.107 |
12 |
27 |
|
J |
17 |
5 |
1736 |
◊ |
B |
y-1,x,-z |
4_455 |
19 |
4 |
1857 |
144.5 |
-1.2 |
0.715 |
0 |
0 |
0 |
0.025 |
28 |
|
F |
19 |
4 |
1869 |
◊ |
H |
x-y,-y+1,-z-1/3 |
5_564 |
15 |
5 |
1724 |
129.9 |
-2.0 |
0.622 |
0 |
0 |
0 |
0.025 |
Average: |
137.2 |
-1.6 |
0.669 |
0 |
0 |
0 |
0.025 |
13 |
29 |
|
K |
17 |
5 |
1701 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
1909 |
137.6 |
-2.1 |
0.559 |
1 |
0 |
0 |
0.112 |
14 |
30 |
|
E |
19 |
6 |
1909 |
◊ |
G |
x-y,-y+1,-z-1/3 |
5_564 |
12 |
5 |
1744 |
129.9 |
0.8 |
0.880 |
1 |
2 |
0 |
0.000 |
31 |
|
I |
17 |
7 |
1821 |
◊ |
C |
y-1,x,-z |
4_455 |
18 |
6 |
1901 |
120.3 |
-0.0 |
0.842 |
0 |
0 |
0 |
0.000 |
Average: |
125.1 |
0.4 |
0.861 |
1 |
1 |
0 |
0.000 |
15 |
32 |
|
I |
15 |
6 |
1821 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
1857 |
114.3 |
-2.8 |
0.434 |
0 |
0 |
0 |
0.031 |
16 |
33 |
|
I |
12 |
3 |
1821 |
◊ |
G |
y-1,x,-z |
4_455 |
15 |
3 |
1744 |
103.3 |
-0.8 |
0.726 |
0 |
1 |
0 |
0.011 |
17 |
34 |
|
G |
14 |
4 |
1744 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
1869 |
97.9 |
-2.4 |
0.463 |
0 |
0 |
0 |
0.055 |
35 |
|
H |
12 |
2 |
1724 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
1901 |
90.4 |
-2.3 |
0.466 |
0 |
0 |
0 |
0.055 |
36 |
|
L |
12 |
4 |
1721 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
1868 |
89.8 |
-2.1 |
0.414 |
0 |
0 |
0 |
0.055 |
37 |
|
J |
10 |
2 |
1736 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
1909 |
73.1 |
-2.0 |
0.401 |
0 |
0 |
0 |
0.055 |
38 |
|
K |
3 |
1 |
1701 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
1866 |
29.3 |
-0.6 |
0.433 |
0 |
0 |
0 |
0.055 |
Average: |
76.1 |
-1.9 |
0.435 |
0 |
0 |
0 |
0.055 |
18 |
39 |
|
F |
8 |
3 |
1869 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
1901 |
92.8 |
-0.7 |
0.637 |
0 |
0 |
0 |
0.020 |
40 |
|
E |
7 |
3 |
1909 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
1857 |
87.3 |
-0.7 |
0.635 |
0 |
0 |
0 |
0.020 |
41 |
|
D |
7 |
3 |
1866 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
1868 |
86.1 |
-0.8 |
0.583 |
0 |
0 |
0 |
0.020 |
Average: |
88.7 |
-0.8 |
0.618 |
0 |
0 |
0 |
0.020 |
19 |
42 |
|
I |
10 |
3 |
1821 |
◊ |
G |
x-y,-y+1,-z-1/3 |
5_564 |
10 |
4 |
1744 |
83.6 |
-0.0 |
0.784 |
1 |
1 |
0 |
0.000 |
20 |
43 |
|
[SO4]F:102 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
1869 |
74.7 |
-10.5 |
0.906 |
0 |
0 |
0 |
0.284 |
21 |
44 |
|
[SO4]A:101 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
1868 |
72.0 |
-10.3 |
0.797 |
1 |
0 |
0 |
0.531 |
22 |
45 |
|
[SO4]F:101 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
1857 |
67.8 |
-9.9 |
0.845 |
1 |
0 |
0 |
0.292 |
23 |
46 |
|
[SO4]D:101 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
3 |
1866 |
67.7 |
-9.5 |
0.830 |
1 |
0 |
0 |
0.554 |
24 |
47 |
|
[SO4]E:101 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
11 |
4 |
1701 |
62.0 |
-8.2 |
0.851 |
1 |
0 |
0 |
0.385 |
25 |
48 |
|
[SO4]L:101 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
1721 |
59.1 |
-8.4 |
0.838 |
1 |
0 |
0 |
0.514 |
26 |
49 |
|
[SO4]H:101 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
1724 |
58.8 |
-8.7 |
0.801 |
1 |
0 |
0 |
0.259 |
27 |
50 |
|
[SO4]J:101 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
1736 |
56.6 |
-8.3 |
0.837 |
1 |
0 |
0 |
0.273 |
28 |
51 |
|
[SO4]F:102 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
1724 |
54.4 |
-7.0 |
0.848 |
0 |
0 |
0 |
0.172 |
29 |
52 |
|
[CL]F:103 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
2 |
1869 |
53.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.225 |
53 |
|
[CL]K:101 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
6 |
2 |
1701 |
40.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.225 |
Average: |
46.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.225 |
30 |
54 |
|
[SO4]E:101 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
1909 |
49.0 |
-6.2 |
0.817 |
0 |
0 |
0 |
0.278 |
31 |
55 |
|
[SO4]L:101 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1901 |
48.6 |
-5.7 |
0.836 |
0 |
0 |
0 |
0.335 |
32 |
56 |
|
[CL]G:101 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
1744 |
47.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.251 |
33 |
57 |
|
E |
5 |
3 |
1909 |
◊ |
H |
x-y,-y+1,-z-1/3 |
5_564 |
6 |
4 |
1724 |
46.1 |
0.8 |
0.855 |
1 |
0 |
0 |
0.000 |
58 |
|
J |
6 |
4 |
1736 |
◊ |
C |
y-1,x,-z |
4_455 |
6 |
3 |
1901 |
38.3 |
0.7 |
0.844 |
0 |
0 |
0 |
0.000 |
Average: |
42.2 |
0.8 |
0.849 |
1 |
0 |
0 |
0.000 |
34 |
59 |
|
[SO4]H:101 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
1857 |
45.9 |
-6.1 |
0.779 |
0 |
0 |
0 |
0.173 |
35 |
60 |
|
[SO4]F:101 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1869 |
45.2 |
-4.6 |
0.954 |
1 |
0 |
0 |
0.135 |
36 |
61 |
|
[SO4]J:101 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
1869 |
45.0 |
-5.6 |
0.850 |
0 |
0 |
0 |
0.125 |
37 |
62 |
|
[CL]K:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
1868 |
44.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.106 |
38 |
63 |
|
[CL]J:102 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
4 |
1 |
1736 |
43.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.165 |
39 |
64 |
|
[CL]F:103 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
1866 |
42.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.114 |
40 |
65 |
|
J |
8 |
5 |
1736 |
f |
[CL]C:101 |
y-1,x,-z |
4_455 |
1 |
1 |
125 |
40.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.161 |
41 |
66 |
|
[SO4]A:101 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
1909 |
38.9 |
-4.4 |
0.911 |
1 |
0 |
0 |
0.240 |
42 |
67 |
|
[CL]G:102 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
1744 |
38.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.079 |
68 |
|
[CL]C:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
1868 |
25.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
31.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.079 |
43 |
69 |
|
[NA]H:102 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
1724 |
37.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.117 |
44 |
70 |
|
D |
3 |
1 |
1866 |
◊ |
[SO4]H:101 |
x-y,-y+1,-z-1/3 |
5_564 |
3 |
1 |
185 |
36.3 |
-3.3 |
0.965 |
2 |
0 |
0 |
0.051 |
45 |
71 |
|
[CL]C:101 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
1901 |
34.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
46 |
72 |
|
[SO4]J:101 |
3 |
1 |
185 |
◊ |
A |
y-1,x,-z |
4_455 |
3 |
1 |
1868 |
34.2 |
-3.2 |
0.964 |
0 |
0 |
0 |
0.046 |
47 |
73 |
|
I |
4 |
1 |
1821 |
f |
[CL]G:102 |
y-1,x,-z |
4_455 |
1 |
1 |
125 |
34.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.129 |
48 |
74 |
|
[CL]G:101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
1866 |
33.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.171 |
49 |
75 |
|
[SO4]D:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1901 |
33.5 |
-3.9 |
0.814 |
0 |
0 |
0 |
0.219 |
50 |
76 |
|
F |
7 |
2 |
1869 |
◊ |
[NA]H:102 |
x-y,-y+1,-z-1/3 |
5_564 |
1 |
1 |
125 |
29.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.112 |
77 |
|
D |
4 |
2 |
1866 |
◊ |
[NA]H:102 |
x-y,-y+1,-z-1/3 |
5_564 |
1 |
1 |
125 |
26.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.112 |
78 |
|
E |
2 |
1 |
1909 |
◊ |
[NA]H:102 |
x-y,-y+1,-z-1/3 |
5_564 |
1 |
1 |
125 |
17.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
24.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.112 |
51 |
79 |
|
[CL]J:102 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
1821 |
24.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.079 |
52 |
80 |
|
J |
2 |
1 |
1736 |
◊ |
L |
y-1,x,-z |
4_455 |
5 |
3 |
1721 |
23.7 |
0.0 |
0.695 |
0 |
0 |
0 |
0.000 |
53 |
81 |
|
[SO4]F:102 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
1909 |
23.0 |
-2.1 |
0.904 |
0 |
0 |
0 |
0.043 |
54 |
82 |
|
D |
2 |
1 |
1866 |
◊ |
G |
x-y,-y+1,-z-1/3 |
5_564 |
4 |
3 |
1744 |
22.8 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
55 |
83 |
|
K |
3 |
1 |
1701 |
◊ |
A |
y-1,x+1,-z |
4_465 |
2 |
1 |
1868 |
22.1 |
0.2 |
0.770 |
0 |
0 |
0 |
0.000 |
56 |
84 |
|
I |
4 |
3 |
1821 |
◊ |
A |
y-1,x,-z |
4_455 |
2 |
1 |
1868 |
21.9 |
0.0 |
0.729 |
0 |
0 |
0 |
0.000 |
57 |
85 |
|
L |
2 |
1 |
1721 |
◊ |
L |
x-y+1,-y+2,-z-1/3 |
5_674 |
2 |
1 |
1721 |
19.8 |
1.1 |
0.937 |
0 |
0 |
0 |
0.000 |
58 |
86 |
|
K |
2 |
2 |
1701 |
◊ |
E |
y-1,x+1,-z |
4_465 |
2 |
1 |
1909 |
11.7 |
0.2 |
0.786 |
0 |
0 |
0 |
0.000 |
59 |
87 |
|
[SO4]E:101 |
3 |
1 |
185 |
◊ |
E |
y-1,x+1,-z |
4_465 |
2 |
2 |
1909 |
10.3 |
-1.3 |
0.789 |
0 |
0 |
0 |
0.024 |
60 |
88 |
|
[SO4]J:101 |
1 |
1 |
185 |
◊ |
B |
y-1,x,-z |
4_455 |
1 |
1 |
1857 |
10.3 |
-1.2 |
0.811 |
0 |
0 |
0 |
0.017 |
61 |
89 |
|
F |
1 |
1 |
1869 |
◊ |
[SO4]H:101 |
x-y,-y+1,-z-1/3 |
5_564 |
1 |
1 |
185 |
10.2 |
-1.2 |
0.809 |
0 |
0 |
0 |
0.015 |
62 |
90 |
|
[SO4]E:101 |
1 |
1 |
185 |
◊ |
[SO4]E:101 |
y-1,x+1,-z |
4_465 |
1 |
1 |
185 |
7.1 |
-1.7 |
0.800 |
0 |
0 |
0 |
0.016 |
63 |
91 |
|
[CL]K:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1857 |
6.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
64 |
92 |
|
I |
2 |
2 |
1821 |
◊ |
[CL]C:101 |
y-1,x,-z |
4_455 |
1 |
1 |
125 |
5.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.016 |
65 |
93 |
|
[SO4]H:101 |
2 |
1 |
185 |
◊ |
[SO4]F:101 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.0 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.034 |
66 |
94 |
|
D |
1 |
1 |
1866 |
◊ |
B |
x-y,-y+1,-z-1/3 |
5_564 |
1 |
1 |
1857 |
2.5 |
0.1 |
0.791 |
0 |
0 |
0 |
0.000 |
95 |
|
F |
1 |
1 |
1869 |
◊ |
A |
y-1,x,-z |
4_455 |
1 |
1 |
1868 |
2.4 |
0.1 |
0.793 |
0 |
0 |
0 |
0.000 |
Average: |
2.4 |
0.1 |
0.792 |
0 |
0 |
0 |
0.000 |
67 |
96 |
|
[CL]F:103 |
1 |
1 |
125 |
◊ |
H |
x-y,-y+1,-z-1/3 |
5_564 |
1 |
1 |
1724 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
68 |
97 |
|
[SO4]E:101 |
1 |
1 |
185 |
◊ |
K |
y-1,x+1,-z |
4_465 |
1 |
1 |
1701 |
1.7 |
-0.2 |
0.821 |
0 |
0 |
0 |
0.004 |
|