| ## |
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 |
|
E |
200 |
47 |
7306 |
◊ |
C |
x,y,z |
1_555 |
202 |
46 |
7433 |
1896.4 |
-17.6 |
0.485 |
44 |
0 |
0 |
0.328 |
2 |
|
H |
200 |
43 |
7567 |
◊ |
A |
x,y,z |
1_555 |
200 |
46 |
7459 |
1877.5 |
-14.3 |
0.625 |
49 |
0 |
0 |
0.328 |
| Average: |
1886.9 |
-16.0 |
0.555 |
47 |
0 |
0 |
0.328 |
| 2 |
3 |
|
F |
196 |
47 |
7325 |
◊ |
D |
x,y,z |
1_555 |
200 |
46 |
7435 |
1823.7 |
-17.0 |
0.461 |
48 |
0 |
0 |
0.682 |
| 3 |
4 |
|
G |
196 |
46 |
7322 |
◊ |
B |
x,y,z |
1_555 |
195 |
46 |
7374 |
1817.7 |
-15.4 |
0.559 |
51 |
0 |
0 |
1.000 |
| 4 |
5 |
|
B |
61 |
23 |
7374 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
55 |
20 |
7435 |
552.4 |
-1.4 |
0.768 |
6 |
0 |
0 |
0.023 |
| 5 |
6 |
|
F |
48 |
15 |
7325 |
◊ |
C |
x,y,z |
1_555 |
45 |
15 |
7433 |
417.5 |
-0.5 |
0.801 |
8 |
0 |
0 |
0.067 |
7 |
|
H |
47 |
14 |
7567 |
◊ |
D |
x,y,z |
1_555 |
43 |
15 |
7435 |
405.6 |
-0.4 |
0.790 |
3 |
0 |
0 |
0.067 |
8 |
|
E |
43 |
15 |
7306 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
7374 |
394.3 |
0.2 |
0.845 |
5 |
0 |
0 |
0.067 |
| Average: |
405.8 |
-0.2 |
0.812 |
5 |
0 |
0 |
0.067 |
| 6 |
9 |
|
G |
46 |
15 |
7322 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
7459 |
407.8 |
-1.4 |
0.734 |
6 |
0 |
0 |
0.066 |
| 7 |
10 |
|
H |
40 |
14 |
7567 |
◊ |
H |
-x,y,-z+1 |
2_556 |
40 |
14 |
7567 |
400.3 |
-0.6 |
0.781 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
G |
40 |
18 |
7322 |
◊ |
F |
-x+1,y,-z+2 |
2_657 |
39 |
17 |
7325 |
340.5 |
-4.4 |
0.419 |
0 |
0 |
0 |
0.028 |
| 9 |
12 |
|
F |
38 |
13 |
7325 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
7459 |
309.5 |
-1.3 |
0.702 |
2 |
0 |
0 |
0.036 |
13 |
|
H |
30 |
11 |
7567 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
7374 |
299.0 |
-1.2 |
0.673 |
2 |
0 |
0 |
0.036 |
14 |
|
E |
30 |
10 |
7306 |
◊ |
D |
x,y,z |
1_555 |
37 |
12 |
7435 |
298.5 |
-1.6 |
0.631 |
2 |
0 |
0 |
0.036 |
| Average: |
302.3 |
-1.4 |
0.668 |
2 |
0 |
0 |
0.036 |
| 10 |
15 |
|
G |
37 |
12 |
7322 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
7433 |
306.3 |
-1.7 |
0.649 |
3 |
0 |
0 |
0.050 |
| 11 |
16 |
|
E |
31 |
12 |
7306 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
31 |
12 |
7306 |
289.1 |
-3.2 |
0.458 |
2 |
0 |
0 |
0.000 |
| 12 |
17 |
|
A |
33 |
13 |
7459 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
32 |
13 |
7459 |
280.4 |
-0.1 |
0.770 |
2 |
0 |
0 |
0.007 |
18 |
|
C |
31 |
12 |
7433 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
31 |
12 |
7433 |
266.6 |
-0.3 |
0.748 |
2 |
0 |
0 |
0.007 |
| Average: |
273.5 |
-0.2 |
0.759 |
2 |
0 |
0 |
0.007 |
| 13 |
19 |
|
C |
25 |
8 |
7433 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
7374 |
193.7 |
-1.8 |
0.513 |
6 |
0 |
0 |
0.059 |
20 |
|
D |
25 |
8 |
7435 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
7459 |
191.3 |
-1.8 |
0.510 |
5 |
0 |
0 |
0.059 |
21 |
|
F |
24 |
8 |
7325 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
7306 |
190.2 |
-1.6 |
0.557 |
6 |
0 |
0 |
0.059 |
| Average: |
191.7 |
-1.7 |
0.527 |
6 |
0 |
0 |
0.059 |
| 14 |
22 |
|
H |
24 |
8 |
7567 |
◊ |
G |
x,y,z |
1_555 |
25 |
8 |
7322 |
191.8 |
-1.8 |
0.537 |
6 |
0 |
0 |
0.027 |
| 15 |
23 |
|
H |
19 |
6 |
7567 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
16 |
4 |
7374 |
168.6 |
-2.8 |
0.292 |
2 |
0 |
0 |
0.000 |
24 |
|
D |
15 |
4 |
7435 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
20 |
6 |
7306 |
164.7 |
-2.8 |
0.285 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
15 |
5 |
7459 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
10 |
3 |
7325 |
137.0 |
-2.5 |
0.247 |
2 |
0 |
0 |
0.000 |
| Average: |
156.8 |
-2.7 |
0.275 |
2 |
0 |
0 |
0.000 |
| 16 |
26 |
|
G |
11 |
4 |
7322 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
7433 |
140.5 |
-2.5 |
0.257 |
2 |
0 |
0 |
0.000 |
| 17 |
27 |
|
F |
10 |
3 |
7325 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
7306 |
133.8 |
-2.5 |
0.237 |
1 |
0 |
0 |
0.000 |
28 |
|
A |
10 |
4 |
7459 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
9 |
3 |
7435 |
106.1 |
-2.3 |
0.187 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
10 |
3 |
7374 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
7 |
3 |
7433 |
87.6 |
-1.3 |
0.332 |
0 |
0 |
0 |
0.000 |
| Average: |
109.2 |
-2.0 |
0.252 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
E |
10 |
3 |
7306 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
13 |
6 |
7435 |
112.5 |
0.1 |
0.706 |
1 |
0 |
0 |
0.000 |
| 19 |
31 |
|
H |
12 |
5 |
7567 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
15 |
3 |
7322 |
112.4 |
-1.5 |
0.409 |
2 |
0 |
0 |
0.000 |
| 20 |
32 |
|
B |
13 |
7 |
7374 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
12 |
4 |
7306 |
102.5 |
-2.0 |
0.331 |
0 |
0 |
0 |
0.000 |
33 |
|
H |
8 |
2 |
7567 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
12 |
6 |
7435 |
90.4 |
-1.5 |
0.356 |
0 |
1 |
0 |
0.000 |
| Average: |
96.4 |
-1.7 |
0.344 |
0 |
1 |
0 |
0.000 |
| 21 |
34 |
|
B |
12 |
4 |
7374 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
8 |
7567 |
102.2 |
0.5 |
0.782 |
3 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[SO4]D:1111 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
7435 |
98.4 |
-16.9 |
0.791 |
2 |
0 |
0 |
0.318 |
| 23 |
36 |
|
[SO4]C:1112 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
7433 |
97.3 |
-16.6 |
0.777 |
1 |
0 |
0 |
0.287 |
| 24 |
37 |
|
[SO4]H:1112 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
7567 |
97.3 |
-15.2 |
0.758 |
2 |
0 |
0 |
0.284 |
| 25 |
38 |
|
D |
7 |
1 |
7435 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
14 |
6 |
7459 |
96.8 |
-1.2 |
0.201 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
13 |
5 |
7433 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
5 |
1 |
7374 |
90.5 |
-1.3 |
0.157 |
0 |
0 |
0 |
0.000 |
| Average: |
93.7 |
-1.3 |
0.179 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[SO4]A:1112 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
7459 |
96.5 |
-16.4 |
0.774 |
2 |
0 |
0 |
0.289 |
| 27 |
41 |
|
[SO4]E:1112 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
7306 |
86.4 |
-12.2 |
0.826 |
2 |
0 |
0 |
0.374 |
| 28 |
42 |
|
C |
14 |
6 |
7433 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
4 |
2 |
7325 |
81.1 |
-1.0 |
0.329 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
G |
4 |
2 |
7322 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
12 |
5 |
7459 |
79.7 |
-1.0 |
0.330 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[SO4]A:1111 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7459 |
72.5 |
-9.3 |
0.874 |
3 |
0 |
0 |
0.178 |
| 31 |
45 |
|
[SO4]E:1111 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
7306 |
72.0 |
-9.4 |
0.885 |
2 |
0 |
0 |
0.292 |
| 32 |
46 |
|
[SO4]H:1111 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
7567 |
71.6 |
-9.4 |
0.873 |
2 |
0 |
0 |
0.182 |
| 33 |
47 |
|
[SO4]C:1111 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
7433 |
71.5 |
-9.5 |
0.870 |
2 |
0 |
0 |
0.174 |
| 34 |
48 |
|
[SO4]C:1113 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
7433 |
70.3 |
-9.6 |
0.752 |
3 |
0 |
0 |
0.184 |
| 35 |
49 |
|
[SO4]F:1111 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
7459 |
69.4 |
-9.8 |
0.759 |
1 |
0 |
0 |
0.172 |
| 36 |
50 |
|
[SO4]C:1111 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
12 |
3 |
7325 |
64.4 |
-9.1 |
0.713 |
1 |
0 |
0 |
0.158 |
| 37 |
51 |
|
[SO4]A:1111 |
5 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
10 |
3 |
7322 |
64.2 |
-9.4 |
0.692 |
1 |
0 |
0 |
0.162 |
| 38 |
52 |
|
[SO4]E:1111 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
7374 |
63.7 |
-9.2 |
0.698 |
1 |
0 |
0 |
0.276 |
| 39 |
53 |
|
[SO4]H:1111 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
7435 |
63.7 |
-9.4 |
0.690 |
1 |
0 |
0 |
0.175 |
| 40 |
54 |
|
[SO4]F:1111 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
7325 |
62.6 |
-8.5 |
0.779 |
2 |
0 |
0 |
0.157 |
| 41 |
55 |
|
F |
7 |
3 |
7325 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
6 |
3 |
7459 |
61.5 |
-0.1 |
0.613 |
1 |
0 |
0 |
0.000 |
| 42 |
56 |
|
[SO4]C:1114 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
7433 |
61.0 |
-8.0 |
0.811 |
1 |
0 |
0 |
0.142 |
| 43 |
57 |
|
[SO4]C:1113 |
5 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
7322 |
60.9 |
-8.3 |
0.771 |
1 |
0 |
0 |
0.147 |
| 44 |
58 |
|
[SO4]A:1113 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
7459 |
60.4 |
-7.8 |
0.783 |
2 |
0 |
0 |
0.146 |
| 45 |
59 |
|
G |
5 |
1 |
7322 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
7567 |
59.9 |
-1.0 |
0.291 |
0 |
0 |
0 |
0.000 |
| 46 |
60 |
|
C |
7 |
4 |
7433 |
◊ |
G |
-x+1/2,y-1/2,-z+2 |
4_547 |
7 |
3 |
7322 |
57.8 |
-0.1 |
0.627 |
1 |
0 |
0 |
0.000 |
| 47 |
61 |
|
E |
4 |
3 |
7306 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
7435 |
51.2 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| 48 |
62 |
|
E |
6 |
3 |
7306 |
◊ |
H |
x,y-1,z |
1_545 |
7 |
3 |
7567 |
49.7 |
-1.5 |
0.271 |
0 |
0 |
0 |
0.000 |
| 49 |
63 |
|
G |
8 |
3 |
7322 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
9 |
3 |
7374 |
46.8 |
-1.1 |
0.420 |
0 |
0 |
0 |
0.000 |
64 |
|
D |
9 |
3 |
7435 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
7325 |
45.9 |
-1.0 |
0.424 |
0 |
0 |
0 |
0.000 |
| Average: |
46.4 |
-1.0 |
0.422 |
0 |
0 |
0 |
0.000 |
| 50 |
65 |
|
A |
5 |
2 |
7459 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
4 |
3 |
7435 |
42.3 |
-1.2 |
0.248 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
2 |
1 |
7374 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
4 |
2 |
7433 |
31.7 |
-0.7 |
0.263 |
0 |
0 |
0 |
0.000 |
| Average: |
37.0 |
-0.9 |
0.255 |
0 |
0 |
0 |
0.000 |
| 51 |
67 |
|
A |
5 |
3 |
7459 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
7374 |
36.4 |
-0.6 |
0.313 |
0 |
0 |
0 |
0.000 |
68 |
|
D |
2 |
2 |
7435 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
5 |
3 |
7433 |
32.7 |
-0.6 |
0.312 |
0 |
0 |
0 |
0.000 |
69 |
|
H |
3 |
1 |
7567 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
7325 |
16.9 |
-0.3 |
0.293 |
0 |
0 |
0 |
0.000 |
| Average: |
28.6 |
-0.5 |
0.306 |
0 |
0 |
0 |
0.000 |
| 52 |
70 |
|
G |
2 |
1 |
7322 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
7306 |
32.8 |
-1.0 |
0.105 |
0 |
0 |
0 |
0.000 |
| 53 |
71 |
|
[SO4]H:1112 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7459 |
26.2 |
-1.6 |
0.996 |
1 |
0 |
0 |
0.017 |
| 54 |
72 |
|
C |
2 |
2 |
7433 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
6 |
2 |
7435 |
22.5 |
-0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
73 |
|
B |
4 |
2 |
7374 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
7459 |
13.7 |
-0.2 |
0.427 |
0 |
0 |
0 |
0.000 |
| Average: |
18.1 |
-0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
| 55 |
74 |
|
G |
2 |
2 |
7322 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
5 |
3 |
7306 |
18.7 |
-0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
| 56 |
75 |
|
[SO4]A:1113 |
4 |
1 |
186 |
◊ |
[SO4]A:1113 |
-x+1,y,-z+2 |
2_657 |
4 |
1 |
186 |
17.6 |
-3.7 |
0.998 |
0 |
0 |
0 |
0.012 |
| 57 |
76 |
|
[SO4]H:1112 |
3 |
1 |
186 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
7459 |
16.9 |
-1.9 |
0.745 |
0 |
0 |
0 |
0.000 |
| 58 |
77 |
|
[SO4]C:1114 |
3 |
1 |
186 |
◊ |
[SO4]C:1114 |
-x+1,y,-z+2 |
2_657 |
3 |
1 |
186 |
13.8 |
-3.3 |
0.992 |
0 |
0 |
0 |
0.010 |
| 59 |
78 |
|
[SO4]E:1111 |
1 |
1 |
187 |
◊ |
[SO4]C:1111 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.2 |
-2.9 |
0.800 |
0 |
0 |
0 |
0.026 |
| 60 |
79 |
|
[SO4]E:1111 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7433 |
11.8 |
-1.6 |
0.615 |
0 |
0 |
0 |
0.014 |
| 61 |
80 |
|
[SO4]H:1111 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7459 |
11.7 |
-1.5 |
0.629 |
0 |
0 |
0 |
0.013 |
| 62 |
81 |
|
E |
1 |
1 |
7306 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
2 |
2 |
7433 |
11.3 |
-0.1 |
0.379 |
0 |
0 |
0 |
0.000 |
| 63 |
82 |
|
E |
2 |
1 |
7306 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
7325 |
10.8 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
| 64 |
83 |
|
[SO4]H:1111 |
1 |
1 |
187 |
◊ |
[SO4]A:1111 |
x,y,z |
1_555 |
1 |
1 |
186 |
10.6 |
-2.5 |
0.800 |
0 |
0 |
0 |
0.022 |
| 65 |
84 |
|
[SO4]A:1112 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
7325 |
10.0 |
-1.3 |
0.643 |
0 |
0 |
0 |
0.022 |
| 66 |
85 |
|
H |
2 |
1 |
7567 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
7325 |
9.5 |
-0.2 |
0.470 |
0 |
0 |
0 |
0.000 |
| 67 |
86 |
|
C |
2 |
1 |
7433 |
◊ |
H |
-x+1,y-1,-z+2 |
2_647 |
1 |
1 |
7567 |
9.2 |
-0.2 |
0.342 |
0 |
0 |
0 |
0.000 |
| 68 |
87 |
|
[SO4]C:1111 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7306 |
9.0 |
-1.2 |
0.640 |
0 |
0 |
0 |
0.010 |
| 69 |
88 |
|
[SO4]A:1111 |
1 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
7567 |
7.8 |
-1.0 |
0.653 |
0 |
0 |
0 |
0.009 |
| 70 |
89 |
|
[SO4]C:1112 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
7322 |
7.3 |
-1.0 |
0.673 |
0 |
0 |
0 |
0.016 |
| 71 |
90 |
|
C |
2 |
1 |
7433 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
7306 |
6.5 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
91 |
|
H |
1 |
1 |
7567 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
7459 |
1.9 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
| Average: |
4.2 |
0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| 72 |
92 |
|
[SO4]A:1113 |
1 |
1 |
186 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
7459 |
6.4 |
-0.7 |
0.777 |
0 |
0 |
0 |
0.005 |
| 73 |
93 |
|
[SO4]D:1111 |
1 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
7567 |
6.1 |
-0.8 |
0.654 |
0 |
0 |
0 |
0.015 |
| 74 |
94 |
|
H |
2 |
1 |
7567 |
◊ |
B |
-x,y,-z+1 |
2_556 |
1 |
1 |
7374 |
2.9 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 75 |
95 |
|
B |
1 |
1 |
7374 |
◊ |
[SO4]E:1112 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
186 |
1.1 |
-0.1 |
0.805 |
0 |
0 |
0 |
0.000 |
| 76 |
96 |
|
B |
1 |
1 |
7374 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
7567 |
0.9 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| 77 |
97 |
|
[SO4]C:1113 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7374 |
0.3 |
-0.0 |
0.754 |
0 |
0 |
0 |
0.000 |
|