| ## |
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 |
105 |
27 |
4657 |
◊ |
E |
x,y,z |
1_555 |
92 |
23 |
4506 |
972.4 |
-10.4 |
0.195 |
13 |
2 |
0 |
0.573 |
2 |
|
F |
93 |
24 |
4657 |
◊ |
D |
x,y,z |
1_555 |
109 |
26 |
4598 |
972.4 |
-10.5 |
0.184 |
12 |
0 |
0 |
0.573 |
3 |
|
C |
106 |
23 |
4785 |
◊ |
A |
x,y,z |
1_555 |
95 |
24 |
4784 |
962.6 |
-10.3 |
0.149 |
15 |
2 |
0 |
0.573 |
4 |
|
B |
90 |
22 |
4704 |
◊ |
A |
x,y,z |
1_555 |
106 |
25 |
4784 |
941.4 |
-11.1 |
0.111 |
12 |
2 |
0 |
0.573 |
5 |
|
E |
106 |
24 |
4506 |
◊ |
D |
x,y,z |
1_555 |
90 |
21 |
4598 |
932.2 |
-10.3 |
0.192 |
13 |
1 |
0 |
0.573 |
6 |
|
C |
94 |
25 |
4785 |
◊ |
B |
x,y,z |
1_555 |
111 |
26 |
4704 |
917.9 |
-9.7 |
0.181 |
15 |
0 |
0 |
0.573 |
| Average: |
949.8 |
-10.4 |
0.169 |
13 |
1 |
0 |
0.573 |
| 2 |
7 |
|
D |
34 |
9 |
4598 |
◊ |
C |
x,y,z |
1_555 |
35 |
9 |
4785 |
321.2 |
1.3 |
0.775 |
6 |
2 |
0 |
0.044 |
8 |
|
F |
32 |
8 |
4657 |
◊ |
E |
-y+1/2,x+1/2,z |
3_555 |
36 |
8 |
4506 |
318.8 |
1.7 |
0.831 |
5 |
2 |
0 |
0.044 |
9 |
|
B |
35 |
9 |
4704 |
◊ |
A |
-y+1/2,x+1/2,z |
3_555 |
36 |
8 |
4784 |
302.7 |
1.7 |
0.812 |
6 |
2 |
0 |
0.044 |
| Average: |
314.2 |
1.5 |
0.806 |
6 |
2 |
0 |
0.044 |
| 3 |
10 |
|
F |
21 |
7 |
4657 |
x |
C |
x,y,z |
1_555 |
19 |
5 |
4785 |
179.6 |
-1.8 |
0.344 |
1 |
0 |
0 |
0.061 |
11 |
|
D |
21 |
7 |
4598 |
x |
A |
x,y,z |
1_555 |
18 |
8 |
4784 |
174.6 |
-1.5 |
0.328 |
1 |
0 |
0 |
0.061 |
12 |
|
B |
23 |
6 |
4704 |
x |
B |
-y+1/2,x+1/2,z |
3_555 |
22 |
7 |
4704 |
174.0 |
-1.6 |
0.368 |
1 |
0 |
0 |
0.061 |
13 |
|
C |
21 |
8 |
4785 |
x |
A |
-y+1/2,x+1/2,z |
3_555 |
21 |
6 |
4784 |
170.1 |
-2.0 |
0.289 |
0 |
0 |
0 |
0.061 |
14 |
|
E |
20 |
7 |
4506 |
x |
E |
-y+1/2,x+1/2,z |
3_555 |
19 |
7 |
4506 |
166.9 |
-1.9 |
0.358 |
1 |
0 |
0 |
0.061 |
15 |
|
F |
19 |
6 |
4657 |
x |
D |
-y+1/2,x+1/2,z |
3_555 |
18 |
7 |
4598 |
160.9 |
-1.8 |
0.307 |
0 |
0 |
0 |
0.061 |
| Average: |
171.0 |
-1.8 |
0.332 |
1 |
0 |
0 |
0.061 |
| 4 |
16 |
|
A |
15 |
7 |
4784 |
x |
A |
-y+1/2,x-1/2,z |
3_545 |
12 |
3 |
4784 |
141.4 |
-1.4 |
0.393 |
0 |
0 |
0 |
0.020 |
| 5 |
17 |
|
D |
13 |
3 |
4598 |
◊ |
F |
-y+1/2,x-1/2,z |
3_545 |
22 |
5 |
4657 |
133.8 |
-0.2 |
0.618 |
0 |
1 |
0 |
0.000 |
| 6 |
18 |
|
B |
13 |
2 |
4704 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
17 |
5 |
4785 |
130.7 |
0.5 |
0.668 |
0 |
2 |
0 |
0.000 |
| 7 |
19 |
|
A |
14 |
3 |
4784 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
14 |
5 |
4785 |
118.3 |
-0.1 |
0.606 |
1 |
0 |
0 |
0.006 |
| 8 |
20 |
|
F |
14 |
4 |
4657 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
14 |
4 |
4657 |
115.8 |
-0.9 |
0.522 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
B |
12 |
6 |
4704 |
◊ |
B |
y,x,-z |
7_555 |
12 |
6 |
4704 |
109.0 |
2.0 |
0.885 |
2 |
2 |
0 |
0.000 |
| 10 |
22 |
|
B |
9 |
4 |
4704 |
◊ |
C |
-x+1/2,y-1/2,-z |
5_545 |
9 |
1 |
4785 |
106.3 |
0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[GOL]D:57 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
4598 |
97.0 |
0.4 |
0.671 |
1 |
0 |
0 |
0.002 |
| 12 |
24 |
|
[GOL]A:60 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
4784 |
93.6 |
1.1 |
0.755 |
6 |
0 |
0 |
0.022 |
| 13 |
25 |
|
C |
12 |
4 |
4785 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
12 |
4 |
4785 |
90.4 |
0.2 |
0.647 |
0 |
0 |
0 |
0.000 |
| 14 |
26 |
|
D |
11 |
4 |
4598 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
5 |
1 |
4784 |
89.9 |
-0.2 |
0.598 |
1 |
0 |
0 |
0.005 |
| 15 |
27 |
|
C |
9 |
5 |
4785 |
◊ |
C |
y,x,-z |
7_555 |
9 |
5 |
4785 |
84.0 |
-2.3 |
0.196 |
0 |
0 |
0 |
0.007 |
| 16 |
28 |
|
[GOL]B:61 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
4704 |
77.6 |
-0.4 |
0.507 |
1 |
0 |
0 |
0.024 |
| 17 |
29 |
|
[SO4]A:58 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
4784 |
77.1 |
-10.0 |
0.786 |
3 |
0 |
0 |
0.166 |
| 18 |
30 |
|
F |
7 |
3 |
4657 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
4784 |
76.3 |
1.5 |
0.844 |
0 |
0 |
0 |
0.000 |
31 |
|
C |
7 |
3 |
4785 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
6 |
2 |
4704 |
64.0 |
1.4 |
0.837 |
0 |
0 |
0 |
0.000 |
32 |
|
E |
3 |
1 |
4506 |
◊ |
D |
-y+1/2,x+1/2,z |
3_555 |
3 |
1 |
4598 |
25.8 |
0.5 |
0.784 |
0 |
0 |
0 |
0.000 |
| Average: |
55.3 |
1.1 |
0.822 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[SO4]F:56 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
4657 |
73.3 |
-10.9 |
0.683 |
1 |
0 |
0 |
0.357 |
| 20 |
34 |
|
D |
9 |
5 |
4598 |
◊ |
D |
y,x,-z+1 |
7_556 |
9 |
5 |
4598 |
71.3 |
-1.3 |
0.397 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
C |
9 |
5 |
4785 |
f |
[SO4]A:57 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
185 |
71.1 |
-10.6 |
0.636 |
1 |
0 |
0 |
0.282 |
| 22 |
36 |
|
[SO4]B:57 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
4704 |
69.5 |
-10.3 |
0.646 |
1 |
0 |
0 |
0.320 |
| 23 |
37 |
|
[GOL]B:61 |
5 |
1 |
222 |
◊ |
B |
y,x,-z |
7_555 |
8 |
3 |
4704 |
68.5 |
-0.0 |
0.548 |
1 |
0 |
0 |
0.014 |
| 24 |
38 |
|
[GOL]B:60 |
5 |
1 |
216 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
9 |
2 |
4785 |
67.7 |
1.4 |
0.816 |
4 |
0 |
0 |
0.002 |
| 25 |
39 |
|
B |
9 |
2 |
4704 |
◊ |
[GOL]A:61 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
215 |
67.6 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.004 |
| 26 |
40 |
|
B |
12 |
4 |
4704 |
f |
[GOL]B:58 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
221 |
67.2 |
0.0 |
0.560 |
2 |
0 |
0 |
0.026 |
| 27 |
41 |
|
[GOL]B:59 |
6 |
1 |
220 |
◊ |
B |
y,x,-z |
7_555 |
16 |
5 |
4704 |
66.6 |
0.3 |
0.661 |
3 |
0 |
0 |
0.027 |
| 28 |
42 |
|
[GOL]C:57 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
4784 |
63.1 |
-0.3 |
0.519 |
1 |
0 |
0 |
0.011 |
| 29 |
43 |
|
[SO4]F:55 |
5 |
1 |
185 |
f |
E |
-y+1/2,x+1/2,z |
3_555 |
14 |
7 |
4506 |
62.9 |
-8.5 |
0.868 |
3 |
0 |
0 |
0.309 |
| 30 |
44 |
|
[SO4]F:55 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
4657 |
62.9 |
-8.4 |
0.868 |
3 |
0 |
0 |
0.307 |
| 31 |
45 |
|
[SO4]C:55 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
4785 |
62.1 |
-8.2 |
0.860 |
3 |
0 |
0 |
0.242 |
| 32 |
46 |
|
[GOL]D:56 |
4 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
4598 |
61.7 |
0.3 |
0.613 |
1 |
0 |
0 |
0.004 |
| 33 |
47 |
|
A |
10 |
4 |
4784 |
◊ |
[SO4]A:58 |
-y+1/2,x-1/2,z |
3_545 |
5 |
1 |
184 |
61.6 |
-8.6 |
0.612 |
2 |
0 |
0 |
0.139 |
| 34 |
48 |
|
[SO4]C:55 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
4598 |
61.6 |
-8.4 |
0.878 |
3 |
0 |
0 |
0.249 |
| 35 |
49 |
|
B |
12 |
6 |
4704 |
◊ |
[SO4]A:55 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
185 |
61.4 |
-8.4 |
0.868 |
3 |
0 |
0 |
0.114 |
| 36 |
50 |
|
[SO4]A:55 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
4784 |
61.2 |
-8.4 |
0.856 |
3 |
0 |
0 |
0.143 |
| 37 |
51 |
|
C |
7 |
2 |
4785 |
◊ |
[GOL]B:58 |
-y+1/2,x+1/2,z |
3_555 |
6 |
1 |
221 |
60.8 |
-0.0 |
0.567 |
1 |
0 |
0 |
0.003 |
| 38 |
52 |
|
[GOL]B:58 |
5 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
4704 |
60.5 |
-0.3 |
0.510 |
1 |
0 |
0 |
0.023 |
| 39 |
53 |
|
[SO4]D:55 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
4784 |
60.2 |
-8.9 |
0.643 |
1 |
0 |
0 |
0.136 |
| 40 |
54 |
|
[SO4]A:56 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
4784 |
60.1 |
-7.8 |
0.857 |
3 |
0 |
0 |
0.134 |
| 41 |
55 |
|
[SO4]A:56 |
4 |
1 |
185 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
10 |
4 |
4785 |
59.7 |
-7.7 |
0.846 |
1 |
0 |
0 |
0.098 |
| 42 |
56 |
|
E |
11 |
4 |
4506 |
◊ |
E |
y,x,-z+1 |
7_556 |
11 |
4 |
4506 |
59.6 |
2.4 |
0.890 |
0 |
0 |
0 |
0.000 |
| 43 |
57 |
|
[SO4]A:59 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
4784 |
58.6 |
-7.0 |
0.814 |
1 |
0 |
0 |
0.109 |
| 44 |
58 |
|
[SO4]B:56 |
5 |
1 |
185 |
◊ |
B |
y,x,-z |
7_555 |
9 |
3 |
4704 |
58.5 |
-5.8 |
0.905 |
2 |
0 |
0 |
0.199 |
| 45 |
59 |
|
B |
6 |
3 |
4704 |
◊ |
[SO4]B:57 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
184 |
56.9 |
-7.0 |
0.876 |
1 |
0 |
0 |
0.219 |
| 46 |
60 |
|
[SO4]A:57 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
4784 |
56.7 |
-6.9 |
0.863 |
1 |
0 |
0 |
0.053 |
| 47 |
61 |
|
[GOL]D:56 |
5 |
1 |
220 |
◊ |
F |
-y+1/2,x-1/2,z |
3_545 |
6 |
2 |
4657 |
56.5 |
0.7 |
0.665 |
1 |
0 |
0 |
0.000 |
| 48 |
62 |
|
[SO4]B:56 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
4704 |
55.4 |
-7.5 |
0.796 |
1 |
0 |
0 |
0.236 |
| 49 |
63 |
|
[SO4]F:56 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
4785 |
52.5 |
-5.8 |
0.866 |
1 |
0 |
0 |
0.045 |
| 50 |
64 |
|
[SO4]D:55 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
4598 |
52.3 |
-5.9 |
0.885 |
1 |
0 |
0 |
0.045 |
| 51 |
65 |
|
A |
8 |
3 |
4784 |
◊ |
[SO4]C:56 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
185 |
50.4 |
-6.3 |
0.723 |
0 |
0 |
0 |
0.076 |
| 52 |
66 |
|
[SO4]C:56 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
4785 |
49.9 |
-6.0 |
0.849 |
2 |
0 |
0 |
0.177 |
| 53 |
67 |
|
[GOL]C:57 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4785 |
49.9 |
0.7 |
0.630 |
0 |
0 |
0 |
0.000 |
| 54 |
68 |
|
[GOL]A:60 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4704 |
42.5 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| 55 |
69 |
|
[GOL]B:60 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
4704 |
41.5 |
0.6 |
0.737 |
0 |
0 |
0 |
0.000 |
| 56 |
70 |
|
C |
6 |
2 |
4785 |
◊ |
[GOL]A:61 |
-y+1/2,x+1/2,z |
3_555 |
3 |
1 |
215 |
40.8 |
1.0 |
0.821 |
0 |
0 |
0 |
0.000 |
| 57 |
71 |
|
B |
6 |
2 |
4704 |
◊ |
[SO4]C:56 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
185 |
39.9 |
-4.6 |
0.716 |
0 |
0 |
0 |
0.024 |
| 58 |
72 |
|
[GOL]A:61 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
4784 |
39.0 |
0.1 |
0.660 |
1 |
0 |
0 |
0.005 |
| 59 |
73 |
|
[SO4]A:59 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4704 |
38.5 |
-3.7 |
0.911 |
0 |
0 |
0 |
0.024 |
| 60 |
74 |
|
[SO4]D:55 |
4 |
1 |
186 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
3 |
1 |
4784 |
37.3 |
-3.0 |
0.963 |
2 |
0 |
0 |
0.056 |
| 61 |
75 |
|
[GOL]B:59 |
4 |
1 |
220 |
cf |
[GOL]B:59 |
y,x,-z |
7_555 |
4 |
1 |
220 |
37.1 |
0.4 |
0.684 |
0 |
0 |
0 |
0.000 |
| 62 |
76 |
|
[GOL]B:60 |
4 |
1 |
216 |
f |
[GOL]A:61 |
-x,-y,z |
2_555 |
4 |
1 |
215 |
36.6 |
0.5 |
0.690 |
2 |
0 |
0 |
0.006 |
| 63 |
77 |
|
E |
5 |
1 |
4506 |
◊ |
D |
y,x,-z+1 |
7_556 |
3 |
1 |
4598 |
36.3 |
0.7 |
0.795 |
0 |
2 |
0 |
0.000 |
| 64 |
78 |
|
[GOL]B:59 |
5 |
1 |
220 |
◊ |
C |
y,x,-z |
7_555 |
4 |
2 |
4785 |
35.3 |
0.2 |
0.650 |
1 |
0 |
0 |
0.001 |
| 65 |
79 |
|
[SO4]C:56 |
3 |
1 |
185 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
6 |
3 |
4785 |
31.0 |
-3.8 |
0.746 |
0 |
0 |
0 |
0.022 |
| 66 |
80 |
|
[SO4]B:55 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
4704 |
29.8 |
-3.2 |
0.856 |
0 |
0 |
0 |
0.097 |
| 67 |
81 |
|
[SO4]B:55 |
3 |
1 |
186 |
◊ |
B |
y,x,-z |
7_555 |
6 |
2 |
4704 |
29.6 |
-3.2 |
0.857 |
0 |
0 |
0 |
0.096 |
| 68 |
82 |
|
[GOL]B:59 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
4704 |
29.0 |
0.3 |
0.634 |
1 |
0 |
0 |
0.005 |
| 69 |
83 |
|
[SO4]B:56 |
4 |
1 |
185 |
◊ |
C |
y,x,-z |
7_555 |
3 |
1 |
4785 |
26.8 |
-2.3 |
0.911 |
0 |
0 |
0 |
0.013 |
| 70 |
84 |
|
F |
3 |
2 |
4657 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
3 |
1 |
4506 |
25.7 |
-0.6 |
0.384 |
0 |
0 |
0 |
0.000 |
| 71 |
85 |
|
[GOL]B:61 |
3 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
4784 |
25.2 |
0.6 |
0.655 |
1 |
0 |
0 |
0.000 |
| 72 |
86 |
|
B |
2 |
1 |
4704 |
x |
B |
-y+1/2,x-1/2,z |
3_545 |
4 |
2 |
4704 |
24.7 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
| 73 |
87 |
|
[GOL]B:59 |
2 |
1 |
220 |
◊ |
[SO4]B:56 |
y,x,-z |
7_555 |
4 |
1 |
185 |
24.0 |
-3.2 |
0.799 |
1 |
0 |
0 |
0.092 |
| 74 |
88 |
|
[GOL]B:59 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4785 |
21.0 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| 75 |
89 |
|
C |
4 |
1 |
4785 |
◊ |
B |
y,x,-z |
7_555 |
3 |
1 |
4704 |
19.0 |
0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
| 76 |
90 |
|
[SO4]A:58 |
2 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4785 |
18.2 |
-2.6 |
0.606 |
0 |
0 |
0 |
0.016 |
| 77 |
91 |
|
E |
4 |
3 |
4506 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
4 |
3 |
4506 |
18.1 |
-0.6 |
0.435 |
0 |
0 |
0 |
0.000 |
| 78 |
92 |
|
[SO4]B:55 |
4 |
1 |
186 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
4784 |
17.7 |
-1.6 |
0.943 |
0 |
0 |
0 |
0.009 |
| 79 |
93 |
|
[SO4]B:55 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4784 |
17.5 |
-1.6 |
0.942 |
0 |
0 |
0 |
0.010 |
| 80 |
94 |
|
[SO4]A:56 |
2 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
4 |
2 |
4784 |
16.9 |
-1.8 |
0.821 |
0 |
0 |
0 |
0.027 |
| 81 |
95 |
|
[SO4]C:55 |
3 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
4657 |
16.9 |
-2.1 |
0.362 |
0 |
0 |
0 |
0.024 |
| 82 |
96 |
|
[SO4]C:55 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4784 |
16.8 |
-2.0 |
0.363 |
0 |
0 |
0 |
0.014 |
| 83 |
97 |
|
[SO4]F:55 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
4506 |
16.0 |
-1.9 |
0.376 |
0 |
0 |
0 |
0.006 |
| 84 |
98 |
|
[SO4]F:55 |
3 |
1 |
185 |
◊ |
D |
-y+1/2,x+1/2,z |
3_555 |
2 |
1 |
4598 |
16.0 |
-1.9 |
0.513 |
0 |
0 |
0 |
0.022 |
| 85 |
99 |
|
[SO4]A:55 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4704 |
15.9 |
-1.8 |
0.386 |
0 |
0 |
0 |
0.012 |
| 86 |
100 |
|
C |
1 |
1 |
4785 |
◊ |
[SO4]A:55 |
-y+1/2,x+1/2,z |
3_555 |
3 |
1 |
185 |
15.3 |
-1.9 |
0.381 |
0 |
0 |
0 |
0.013 |
| 87 |
101 |
|
B |
2 |
1 |
4704 |
◊ |
[SO4]A:57 |
-y+1/2,x+1/2,z |
3_555 |
3 |
1 |
185 |
15.1 |
-1.5 |
0.866 |
0 |
0 |
0 |
0.010 |
| 88 |
102 |
|
[SO4]D:55 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4785 |
13.4 |
-1.4 |
0.827 |
0 |
0 |
0 |
0.009 |
| 89 |
103 |
|
[GOL]D:57 |
2 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
4657 |
12.4 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
| 90 |
104 |
|
[GOL]A:61 |
1 |
1 |
215 |
◊ |
B |
-x,-y,z |
2_555 |
2 |
1 |
4704 |
11.4 |
0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
| 91 |
105 |
|
[SO4]F:56 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
4598 |
11.2 |
-1.4 |
0.721 |
0 |
0 |
0 |
0.016 |
| 92 |
106 |
|
B |
1 |
1 |
4704 |
◊ |
B |
-x,-y,z |
2_555 |
1 |
1 |
4704 |
9.0 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
| 93 |
107 |
|
[GOL]B:59 |
1 |
1 |
220 |
◊ |
[SO4]B:56 |
x,y,z |
1_555 |
3 |
1 |
185 |
8.5 |
-1.0 |
0.704 |
0 |
0 |
0 |
0.025 |
| 94 |
108 |
|
[GOL]B:61 |
2 |
1 |
222 |
◊ |
[GOL]B:58 |
y,x,-z |
7_555 |
1 |
1 |
221 |
8.0 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 95 |
109 |
|
[GOL]B:60 |
1 |
1 |
216 |
◊ |
B |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
4704 |
6.3 |
0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
| 96 |
110 |
|
[SO4]B:57 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
4784 |
5.5 |
-0.7 |
0.660 |
0 |
0 |
0 |
0.005 |
| 97 |
111 |
|
[SO4]D:55 |
1 |
1 |
186 |
◊ |
[SO4]A:58 |
-y+1/2,x-1/2,z |
3_545 |
1 |
1 |
184 |
5.4 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.019 |
| 98 |
112 |
|
[GOL]B:58 |
1 |
1 |
221 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
4704 |
3.5 |
-0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
| 99 |
113 |
|
[SO4]A:56 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4704 |
3.5 |
-0.5 |
0.686 |
0 |
0 |
0 |
0.003 |
| 100 |
114 |
|
[GOL]A:60 |
2 |
1 |
216 |
f |
[SO4]A:59 |
x,y,z |
1_555 |
2 |
1 |
185 |
3.3 |
-0.4 |
0.764 |
0 |
0 |
0 |
0.006 |
| 101 |
115 |
|
[GOL]D:56 |
1 |
1 |
220 |
◊ |
D |
-y+1/2,x-1/2,z |
3_545 |
1 |
1 |
4598 |
2.1 |
0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
| 102 |
116 |
|
[GOL]B:61 |
1 |
1 |
222 |
◊ |
C |
-x+1/2,y-1/2,-z |
5_545 |
1 |
1 |
4785 |
1.9 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 103 |
117 |
|
[GOL]A:61 |
1 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4704 |
1.1 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
| 104 |
118 |
|
B |
2 |
1 |
4704 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
4784 |
0.5 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|