## |
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 |
65 |
17 |
3665 |
◊ |
G |
x,y,z |
1_555 |
64 |
19 |
4039 |
642.4 |
-11.3 |
0.252 |
2 |
2 |
0 |
0.321 |
2 |
|
F |
51 |
14 |
4124 |
◊ |
E |
x,y,z |
1_555 |
52 |
14 |
3344 |
558.6 |
-10.0 |
0.280 |
0 |
3 |
0 |
0.321 |
3 |
|
D |
50 |
14 |
3342 |
◊ |
C |
x,y,z |
1_555 |
53 |
14 |
3780 |
550.4 |
-10.4 |
0.223 |
1 |
4 |
0 |
0.321 |
4 |
|
B |
51 |
15 |
3668 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
3975 |
549.9 |
-11.4 |
0.204 |
0 |
3 |
0 |
0.321 |
Average: |
575.3 |
-10.8 |
0.240 |
1 |
3 |
0 |
0.321 |
2 |
5 |
|
G |
55 |
13 |
4039 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
60 |
14 |
3780 |
548.5 |
-7.1 |
0.477 |
1 |
0 |
0 |
0.149 |
6 |
|
F |
55 |
14 |
4124 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
59 |
13 |
3668 |
538.0 |
-6.9 |
0.490 |
1 |
0 |
0 |
0.149 |
Average: |
543.3 |
-7.0 |
0.483 |
1 |
0 |
0 |
0.149 |
3 |
7 |
|
E |
44 |
11 |
3344 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
50 |
11 |
3975 |
480.5 |
-5.2 |
0.579 |
1 |
0 |
0 |
0.073 |
8 |
|
H |
42 |
11 |
3665 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
10 |
3342 |
417.9 |
-3.4 |
0.591 |
1 |
0 |
0 |
0.073 |
Average: |
449.2 |
-4.3 |
0.585 |
1 |
0 |
0 |
0.073 |
4 |
9 |
|
F |
44 |
11 |
4124 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
3975 |
461.5 |
-2.5 |
0.734 |
1 |
2 |
0 |
0.049 |
10 |
|
C |
24 |
7 |
3780 |
◊ |
H |
x-1,y,z |
1_455 |
26 |
7 |
3665 |
238.5 |
0.5 |
0.783 |
0 |
2 |
0 |
0.049 |
Average: |
350.0 |
-1.0 |
0.759 |
1 |
2 |
0 |
0.049 |
5 |
11 |
|
C |
48 |
11 |
3780 |
◊ |
A |
x,y,z |
1_555 |
49 |
12 |
3975 |
455.9 |
-13.7 |
0.088 |
0 |
0 |
0 |
0.376 |
12 |
|
H |
40 |
10 |
3665 |
◊ |
F |
x,y,z |
1_555 |
44 |
12 |
4124 |
387.9 |
-11.8 |
0.070 |
0 |
0 |
0 |
0.376 |
13 |
|
G |
40 |
11 |
4039 |
◊ |
E |
x,y,z |
1_555 |
41 |
10 |
3344 |
368.7 |
-10.9 |
0.070 |
0 |
0 |
0 |
0.376 |
14 |
|
D |
39 |
10 |
3342 |
◊ |
B |
x,y,z |
1_555 |
40 |
11 |
3668 |
352.0 |
-11.7 |
0.045 |
0 |
0 |
0 |
0.376 |
Average: |
391.1 |
-12.0 |
0.069 |
0 |
0 |
0 |
0.376 |
6 |
15 |
|
D |
44 |
9 |
3342 |
◊ |
A |
x,y,z |
1_555 |
48 |
9 |
3975 |
399.1 |
-9.4 |
0.232 |
0 |
0 |
0 |
0.298 |
16 |
|
G |
45 |
9 |
4039 |
◊ |
F |
x,y,z |
1_555 |
48 |
10 |
4124 |
377.4 |
-8.0 |
0.246 |
0 |
0 |
0 |
0.298 |
17 |
|
H |
42 |
8 |
3665 |
◊ |
E |
x,y,z |
1_555 |
40 |
7 |
3344 |
352.8 |
-8.8 |
0.188 |
0 |
0 |
0 |
0.298 |
18 |
|
C |
42 |
7 |
3780 |
◊ |
B |
x,y,z |
1_555 |
41 |
7 |
3668 |
349.4 |
-8.7 |
0.172 |
0 |
0 |
0 |
0.298 |
Average: |
369.7 |
-8.7 |
0.209 |
0 |
0 |
0 |
0.298 |
7 |
19 |
|
C |
26 |
8 |
3780 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
33 |
10 |
3342 |
245.5 |
2.5 |
0.871 |
0 |
6 |
0 |
0.000 |
20 |
|
E |
25 |
9 |
3344 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
23 |
8 |
4124 |
223.9 |
1.9 |
0.851 |
2 |
2 |
0 |
0.000 |
Average: |
234.7 |
2.2 |
0.861 |
1 |
4 |
0 |
0.000 |
8 |
21 |
|
G |
25 |
7 |
4039 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
8 |
3665 |
242.3 |
1.3 |
0.817 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
B |
18 |
7 |
3668 |
◊ |
E |
x-1,y+1,z |
1_465 |
19 |
8 |
3344 |
196.1 |
2.3 |
0.869 |
0 |
3 |
0 |
0.000 |
23 |
|
G |
20 |
7 |
4039 |
◊ |
D |
x,y-1,z |
1_545 |
25 |
8 |
3342 |
195.8 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
Average: |
196.0 |
1.6 |
0.833 |
0 |
2 |
0 |
0.000 |
10 |
24 |
|
G |
13 |
3 |
4039 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
4124 |
118.3 |
0.6 |
0.743 |
0 |
1 |
0 |
0.000 |
11 |
25 |
|
A |
13 |
6 |
3975 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
4 |
3668 |
100.0 |
2.5 |
0.886 |
1 |
3 |
0 |
0.000 |
12 |
26 |
|
H |
7 |
2 |
3665 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
3 |
3975 |
98.1 |
-2.2 |
0.423 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
C |
14 |
4 |
3780 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
3668 |
95.0 |
-0.7 |
0.575 |
0 |
0 |
0 |
0.000 |
28 |
|
G |
8 |
3 |
4039 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
12 |
3 |
4124 |
88.9 |
-0.3 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
92.0 |
-0.5 |
0.590 |
0 |
0 |
0 |
0.000 |
14 |
29 |
|
H |
8 |
3 |
3665 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
3 |
4124 |
90.1 |
-0.4 |
0.615 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
4 |
1 |
3780 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
3 |
3975 |
37.8 |
0.5 |
0.773 |
0 |
0 |
0 |
0.000 |
Average: |
63.9 |
0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
15 |
31 |
|
[SO4]B:1052 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
3668 |
73.3 |
-10.5 |
0.799 |
1 |
0 |
0 |
0.298 |
16 |
32 |
|
[SO4]G:1055 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
4039 |
70.9 |
-10.2 |
0.778 |
4 |
0 |
0 |
0.235 |
17 |
33 |
|
[SO4]F:1054 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
4124 |
68.0 |
-9.4 |
0.721 |
1 |
0 |
0 |
0.278 |
18 |
34 |
|
[SO4]E:1049 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
3344 |
60.1 |
-8.7 |
0.775 |
3 |
0 |
0 |
0.339 |
19 |
35 |
|
[SO4]D:1049 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
3342 |
60.0 |
-8.6 |
0.781 |
3 |
0 |
0 |
0.274 |
20 |
36 |
|
[SO4]B:1051 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
3668 |
55.0 |
-6.0 |
0.848 |
1 |
0 |
0 |
0.175 |
21 |
37 |
|
[SO4]G:1054 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
4039 |
54.1 |
-6.2 |
0.842 |
1 |
0 |
0 |
0.130 |
22 |
38 |
|
[SO4]C:1053 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
3780 |
53.6 |
-7.6 |
0.751 |
1 |
0 |
0 |
0.222 |
23 |
39 |
|
[SO4]G:1053 |
4 |
1 |
185 |
f |
D |
x,y-1,z |
1_545 |
9 |
4 |
3342 |
53.1 |
-6.6 |
0.818 |
0 |
0 |
0 |
0.183 |
24 |
40 |
|
[SO4]F:1054 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
4039 |
52.7 |
-6.7 |
0.741 |
0 |
0 |
0 |
0.099 |
25 |
41 |
|
H |
7 |
2 |
3665 |
x |
H |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
3665 |
50.3 |
0.3 |
0.695 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[SO4]G:1053 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
4039 |
49.8 |
-4.5 |
0.935 |
0 |
0 |
0 |
0.005 |
27 |
43 |
|
[SO4]B:1050 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
3668 |
48.0 |
-4.7 |
0.911 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
A |
5 |
3 |
3975 |
◊ |
[SO4]B:1051 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
46.8 |
-5.0 |
0.876 |
0 |
0 |
0 |
0.074 |
29 |
45 |
|
G |
7 |
1 |
4039 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
3975 |
46.3 |
1.1 |
0.822 |
0 |
1 |
0 |
0.000 |
30 |
46 |
|
G |
10 |
3 |
4039 |
f |
[SO4]B:1050 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
45.9 |
-6.2 |
0.751 |
0 |
0 |
0 |
0.123 |
31 |
47 |
|
[SO4]F:1053 |
4 |
1 |
186 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
5 |
1 |
3780 |
45.2 |
-5.5 |
0.853 |
0 |
0 |
0 |
0.140 |
32 |
48 |
|
[SO4]F:1053 |
5 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
2 |
3668 |
44.1 |
-4.4 |
0.912 |
0 |
0 |
0 |
0.090 |
33 |
49 |
|
[SO4]B:1051 |
4 |
1 |
185 |
◊ |
E |
x-1,y+1,z |
1_465 |
4 |
2 |
3344 |
43.1 |
-4.7 |
0.878 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[SO4]D:1049 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
3668 |
42.7 |
-5.0 |
0.808 |
0 |
0 |
0 |
0.091 |
35 |
51 |
|
[SO4]F:1055 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
4124 |
42.3 |
-4.5 |
0.899 |
1 |
0 |
0 |
0.027 |
36 |
52 |
|
[SO4]F:1055 |
4 |
1 |
184 |
f |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
3780 |
42.1 |
-5.8 |
0.727 |
0 |
0 |
0 |
0.159 |
37 |
53 |
|
A |
3 |
1 |
3975 |
f |
[SO4]A:1052 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
184 |
42.0 |
-4.4 |
0.851 |
1 |
0 |
0 |
0.135 |
38 |
54 |
|
[SO4]H:1052 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
4 |
1 |
3665 |
41.9 |
-5.1 |
0.743 |
0 |
0 |
0 |
0.172 |
39 |
55 |
|
[SO4]G:1053 |
4 |
1 |
185 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
3665 |
41.3 |
-4.7 |
0.853 |
0 |
0 |
0 |
0.026 |
40 |
56 |
|
[SO4]C:1053 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
3668 |
41.2 |
-6.0 |
0.709 |
0 |
0 |
0 |
0.116 |
41 |
57 |
|
F |
3 |
2 |
4124 |
◊ |
[SO4]B:1051 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
41.1 |
-4.4 |
0.856 |
1 |
0 |
0 |
0.098 |
42 |
58 |
|
[SO4]G:1053 |
4 |
1 |
185 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
3780 |
41.1 |
-4.0 |
0.891 |
0 |
0 |
0 |
0.004 |
43 |
59 |
|
G |
2 |
1 |
4039 |
◊ |
[SO4]H:1052 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
186 |
40.3 |
-4.5 |
0.583 |
0 |
0 |
0 |
0.005 |
44 |
60 |
|
[SO4]F:1053 |
3 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
5 |
1 |
4124 |
40.0 |
-5.5 |
0.676 |
0 |
0 |
0 |
0.155 |
45 |
61 |
|
[SO4]G:1055 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
4124 |
38.9 |
-5.8 |
0.711 |
0 |
0 |
0 |
0.086 |
46 |
62 |
|
[SO4]A:1052 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
3975 |
38.5 |
-3.4 |
0.945 |
1 |
0 |
0 |
0.000 |
47 |
63 |
|
[SO4]C:1053 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
3975 |
37.6 |
-4.0 |
0.877 |
0 |
0 |
0 |
0.110 |
48 |
64 |
|
[SO4]E:1049 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
5 |
4 |
3665 |
37.1 |
-5.7 |
0.667 |
0 |
0 |
0 |
0.191 |
49 |
65 |
|
[SO4]B:1052 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
3342 |
36.6 |
-4.1 |
0.849 |
0 |
0 |
0 |
0.074 |
50 |
66 |
|
[SO4]G:1055 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
3344 |
36.3 |
-3.8 |
0.850 |
0 |
0 |
0 |
0.066 |
51 |
67 |
|
[SO4]E:1049 |
3 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
4039 |
35.0 |
-3.9 |
0.869 |
0 |
0 |
0 |
0.069 |
52 |
68 |
|
[SO4]F:1055 |
3 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4039 |
34.9 |
-3.3 |
0.921 |
1 |
0 |
0 |
0.066 |
53 |
69 |
|
[SO4]A:1052 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3668 |
34.6 |
-3.9 |
0.555 |
0 |
0 |
0 |
0.059 |
54 |
70 |
|
H |
2 |
1 |
3665 |
◊ |
[SO4]B:1050 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
34.5 |
-3.1 |
0.959 |
1 |
0 |
0 |
0.069 |
55 |
71 |
|
[SO4]B:1052 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
3780 |
34.5 |
-5.4 |
0.706 |
0 |
0 |
0 |
0.105 |
56 |
72 |
|
[SO4]D:1049 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
3975 |
34.0 |
-5.4 |
0.736 |
0 |
0 |
0 |
0.149 |
57 |
73 |
|
[SO4]B:1050 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
3780 |
33.4 |
-2.8 |
0.929 |
1 |
0 |
0 |
0.056 |
58 |
74 |
|
H |
3 |
2 |
3665 |
◊ |
[SO4]H:1052 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
186 |
32.9 |
-3.2 |
0.935 |
1 |
0 |
0 |
0.000 |
59 |
75 |
|
[SO4]F:1054 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
3665 |
32.8 |
-3.1 |
0.888 |
0 |
0 |
0 |
0.089 |
60 |
76 |
|
[SO4]E:1049 |
3 |
1 |
187 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
3342 |
28.2 |
-2.9 |
0.886 |
0 |
0 |
0 |
0.000 |
61 |
77 |
|
[SO4]G:1054 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
4124 |
27.4 |
-3.0 |
0.912 |
1 |
0 |
0 |
0.051 |
62 |
78 |
|
B |
2 |
1 |
3668 |
◊ |
[SO4]A:1052 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
184 |
25.4 |
-2.7 |
0.903 |
0 |
0 |
0 |
0.074 |
63 |
79 |
|
[SO4]G:1054 |
2 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
8 |
4 |
3668 |
22.8 |
-2.7 |
0.803 |
0 |
0 |
0 |
0.000 |
64 |
80 |
|
[SO4]F:1055 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
3975 |
20.3 |
-1.6 |
0.917 |
0 |
0 |
0 |
0.000 |
65 |
81 |
|
E |
3 |
1 |
3344 |
◊ |
[SO4]D:1049 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
186 |
19.6 |
-2.0 |
0.883 |
0 |
0 |
0 |
0.000 |
66 |
82 |
|
[SO4]F:1053 |
2 |
1 |
186 |
◊ |
[SO4]C:1053 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
185 |
18.3 |
-4.2 |
0.976 |
0 |
0 |
0 |
0.109 |
67 |
83 |
|
[SO4]F:1054 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
3975 |
18.0 |
-1.9 |
0.870 |
0 |
0 |
0 |
0.028 |
68 |
84 |
|
A |
6 |
2 |
3975 |
x |
A |
-x,y-1/2,-z |
2_545 |
3 |
2 |
3975 |
16.9 |
0.6 |
0.801 |
0 |
0 |
0 |
0.000 |
69 |
85 |
|
F |
1 |
1 |
4124 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
3780 |
15.8 |
-0.5 |
0.248 |
0 |
0 |
0 |
0.003 |
70 |
86 |
|
[SO4]G:1055 |
3 |
1 |
185 |
f |
[SO4]G:1054 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.6 |
-3.7 |
0.891 |
0 |
0 |
0 |
0.072 |
71 |
87 |
|
H |
4 |
1 |
3665 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
3975 |
15.5 |
0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
72 |
88 |
|
F |
3 |
1 |
4124 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
3975 |
15.0 |
-0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
89 |
|
E |
2 |
1 |
3344 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
3668 |
6.8 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
90 |
|
H |
1 |
1 |
3665 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
3780 |
1.3 |
0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
73 |
91 |
|
[SO4]F:1053 |
1 |
1 |
186 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
3665 |
15.0 |
-1.6 |
0.823 |
0 |
0 |
0 |
0.009 |
74 |
92 |
|
G |
1 |
1 |
4039 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
3668 |
13.9 |
0.3 |
0.472 |
0 |
0 |
0 |
0.000 |
93 |
|
G |
1 |
1 |
4039 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
3668 |
3.2 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
Average: |
8.6 |
0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
75 |
94 |
|
D |
3 |
2 |
3342 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
3668 |
11.9 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
95 |
|
G |
2 |
2 |
4039 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
3344 |
4.3 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
76 |
96 |
|
[SO4]H:1052 |
2 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
4039 |
11.2 |
-1.3 |
0.849 |
0 |
0 |
0 |
0.025 |
77 |
97 |
|
G |
1 |
1 |
4039 |
◊ |
[SO4]B:1052 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
184 |
5.8 |
-0.6 |
0.806 |
0 |
0 |
0 |
0.000 |
78 |
98 |
|
[SO4]F:1055 |
1 |
1 |
184 |
◊ |
[SO4]F:1054 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.8 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.006 |
79 |
99 |
|
A |
1 |
1 |
3975 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
3780 |
2.0 |
0.1 |
0.815 |
0 |
0 |
0 |
0.000 |
80 |
100 |
|
[SO4]G:1055 |
1 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
3668 |
0.7 |
-0.1 |
0.877 |
0 |
0 |
0 |
0.000 |
81 |
101 |
|
[SO4]B:1052 |
1 |
1 |
184 |
◊ |
[SO4]B:1050 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.6 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|