## |
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 |
|
D |
125 |
34 |
21084 |
◊ |
B |
x,y,z |
1_555 |
123 |
34 |
20994 |
1151.3 |
-8.1 |
0.490 |
12 |
0 |
0 |
0.071 |
2 |
|
C |
125 |
34 |
20713 |
◊ |
A |
x,y,z |
1_555 |
124 |
34 |
20909 |
1148.5 |
-8.3 |
0.481 |
11 |
0 |
0 |
0.071 |
Average: |
1149.9 |
-8.2 |
0.486 |
12 |
0 |
0 |
0.071 |
2 |
3 |
|
D |
80 |
20 |
21084 |
◊ |
A |
x,y,z |
1_555 |
84 |
21 |
20909 |
877.4 |
-17.2 |
0.007 |
2 |
4 |
0 |
0.108 |
4 |
|
C |
79 |
21 |
20713 |
◊ |
B |
x,y,z |
1_555 |
82 |
20 |
20994 |
874.0 |
-16.7 |
0.010 |
2 |
4 |
0 |
0.108 |
Average: |
875.7 |
-16.9 |
0.008 |
2 |
4 |
0 |
0.108 |
3 |
5 |
|
[FDA]D:601 |
52 |
1 |
1013 |
f |
D |
x,y,z |
1_555 |
105 |
42 |
21084 |
709.1 |
-7.5 |
0.564 |
16 |
0 |
0 |
0.170 |
6 |
|
[FDA]B:601 |
52 |
1 |
1011 |
f |
B |
x,y,z |
1_555 |
107 |
43 |
20994 |
707.2 |
-7.5 |
0.556 |
17 |
0 |
0 |
0.170 |
7 |
|
[FDA]A:601 |
52 |
1 |
1005 |
f |
A |
x,y,z |
1_555 |
104 |
42 |
20909 |
702.0 |
-6.8 |
0.556 |
17 |
0 |
0 |
0.170 |
8 |
|
[FDA]C:601 |
52 |
1 |
1006 |
f |
C |
x,y,z |
1_555 |
105 |
43 |
20713 |
699.2 |
-7.3 |
0.589 |
17 |
0 |
0 |
0.170 |
Average: |
704.4 |
-7.3 |
0.566 |
17 |
0 |
0 |
0.170 |
4 |
9 |
|
C |
63 |
20 |
20713 |
◊ |
D |
x-y,x,z-1/6 |
6_554 |
67 |
21 |
21084 |
585.0 |
-3.7 |
0.542 |
2 |
0 |
0 |
0.000 |
5 |
10 |
|
D |
36 |
12 |
21084 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
53 |
18 |
20909 |
385.5 |
-2.3 |
0.550 |
6 |
0 |
0 |
0.029 |
6 |
11 |
|
B |
52 |
21 |
20994 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
52 |
21 |
20994 |
361.7 |
-3.8 |
0.462 |
2 |
0 |
0 |
0.013 |
7 |
12 |
|
B |
19 |
6 |
20994 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
23 |
7 |
20909 |
217.4 |
2.8 |
0.919 |
5 |
2 |
0 |
0.000 |
8 |
13 |
|
A |
32 |
12 |
20909 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
32 |
12 |
20909 |
200.7 |
-2.6 |
0.427 |
0 |
0 |
0 |
0.007 |
9 |
14 |
|
A |
19 |
8 |
20909 |
◊ |
B |
x-y+1,x,z-1/6 |
6_654 |
21 |
7 |
20994 |
197.9 |
-2.7 |
0.281 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
14 |
5 |
20713 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
18 |
7 |
20994 |
138.2 |
-1.9 |
0.355 |
0 |
0 |
0 |
0.010 |
11 |
16 |
|
[SO4]A:612 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20909 |
110.7 |
-14.5 |
0.924 |
3 |
0 |
0 |
0.093 |
12 |
17 |
|
[SO4]C:613 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
20713 |
110.4 |
-13.9 |
0.926 |
3 |
0 |
0 |
0.087 |
13 |
18 |
|
[EDO]D:603 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
21084 |
109.2 |
3.4 |
0.453 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]B:611 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
20994 |
107.8 |
3.6 |
0.477 |
2 |
0 |
0 |
0.000 |
Average: |
108.5 |
3.5 |
0.465 |
2 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]C:605 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
20713 |
108.3 |
3.6 |
0.477 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[SO4]B:620 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
20994 |
108.2 |
-13.9 |
0.920 |
3 |
0 |
0 |
0.086 |
16 |
22 |
|
[EDO]B:605 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
20994 |
105.3 |
4.2 |
0.547 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]D:602 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
21084 |
101.5 |
3.0 |
0.489 |
2 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]C:604 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
20713 |
100.9 |
3.0 |
0.494 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:603 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
20909 |
100.4 |
3.1 |
0.476 |
1 |
0 |
0 |
0.000 |
Average: |
100.6 |
3.0 |
0.485 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]A:604 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
20909 |
96.8 |
3.4 |
0.520 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]B:609 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
20994 |
96.5 |
3.7 |
0.534 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]D:605 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
21084 |
96.4 |
3.3 |
0.526 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[EDO]B:602 |
4 |
1 |
182 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
22 |
8 |
20994 |
92.8 |
2.7 |
0.477 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[EDO]C:603 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
20713 |
91.0 |
3.6 |
0.575 |
2 |
0 |
0 |
0.000 |
24 |
31 |
|
[SO4]A:608 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20909 |
90.8 |
-9.1 |
0.972 |
3 |
0 |
0 |
0.061 |
25 |
32 |
|
[SO4]B:616 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20994 |
88.1 |
-9.4 |
0.973 |
4 |
0 |
0 |
0.063 |
26 |
33 |
|
[EDO]D:604 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
21084 |
87.7 |
2.2 |
0.305 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
[SO4]C:608 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
20713 |
87.6 |
-13.2 |
0.773 |
3 |
0 |
0 |
0.082 |
28 |
35 |
|
[SO4]D:610 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
21084 |
85.1 |
-8.3 |
0.972 |
4 |
0 |
0 |
0.059 |
29 |
36 |
|
[SO4]A:607 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
20909 |
85.1 |
-12.4 |
0.781 |
4 |
0 |
0 |
0.083 |
30 |
37 |
|
[SO4]B:614 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
20994 |
84.9 |
-13.0 |
0.760 |
3 |
0 |
0 |
0.081 |
31 |
38 |
|
[SO4]D:606 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
21084 |
84.1 |
-12.5 |
0.740 |
3 |
0 |
0 |
0.081 |
32 |
39 |
|
[SO4]C:611 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
20713 |
82.3 |
-8.6 |
0.974 |
4 |
0 |
0 |
0.059 |
33 |
40 |
|
[EDO]A:606 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
20909 |
81.2 |
2.7 |
0.326 |
2 |
0 |
0 |
0.000 |
34 |
41 |
|
[EDO]B:613 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
20994 |
80.3 |
2.4 |
0.276 |
2 |
0 |
0 |
0.000 |
35 |
42 |
|
[EDO]C:607 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
20713 |
79.4 |
2.5 |
0.923 |
1 |
0 |
0 |
0.000 |
36 |
43 |
|
[EDO]C:606 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
20713 |
79.4 |
2.9 |
0.523 |
1 |
0 |
0 |
0.000 |
37 |
44 |
|
[EDO]B:612 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20994 |
79.1 |
2.8 |
0.517 |
1 |
0 |
0 |
0.000 |
38 |
45 |
|
[SO4]C:614 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
20713 |
72.8 |
-10.2 |
0.783 |
2 |
0 |
0 |
0.063 |
39 |
46 |
|
[SO4]A:610 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20909 |
71.6 |
-10.0 |
0.786 |
1 |
0 |
0 |
0.062 |
40 |
47 |
|
[SO4]D:609 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
21084 |
71.2 |
-9.0 |
0.937 |
3 |
0 |
0 |
0.060 |
41 |
48 |
|
[SO4]B:619 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20994 |
71.1 |
-9.3 |
0.931 |
4 |
0 |
0 |
0.063 |
42 |
49 |
|
[SO4]D:607 |
5 |
1 |
186 |
f |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
10 |
4 |
20909 |
69.8 |
-10.4 |
0.760 |
3 |
0 |
0 |
0.069 |
43 |
50 |
|
[SO4]A:613 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20909 |
69.4 |
-9.8 |
0.695 |
1 |
0 |
0 |
0.060 |
44 |
51 |
|
[SO4]C:609 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
20713 |
69.2 |
-9.5 |
0.906 |
3 |
0 |
0 |
0.061 |
45 |
52 |
|
[SO4]A:614 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20909 |
68.4 |
-9.7 |
0.678 |
1 |
0 |
0 |
0.060 |
46 |
53 |
|
[SO4]C:612 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
20713 |
67.7 |
-9.6 |
0.617 |
2 |
0 |
0 |
0.059 |
47 |
54 |
|
[SO4]D:608 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
21084 |
67.5 |
-9.3 |
0.713 |
1 |
0 |
0 |
0.057 |
48 |
55 |
|
[SO4]B:615 |
5 |
1 |
185 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
10 |
4 |
20994 |
67.5 |
-9.8 |
0.576 |
1 |
0 |
0 |
0.055 |
49 |
56 |
|
[SO4]A:611 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
20909 |
67.3 |
-8.5 |
0.930 |
3 |
0 |
0 |
0.057 |
50 |
57 |
|
[SO4]B:617 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
20994 |
67.2 |
-9.5 |
0.736 |
1 |
0 |
0 |
0.056 |
51 |
58 |
|
[EDO]B:604 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20994 |
66.3 |
1.8 |
0.857 |
2 |
0 |
0 |
0.000 |
52 |
59 |
|
[SO4]D:607 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
21084 |
66.2 |
-8.7 |
0.926 |
4 |
0 |
0 |
0.061 |
53 |
60 |
|
[SO4]B:615 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20994 |
66.0 |
-9.0 |
0.808 |
3 |
0 |
0 |
0.059 |
54 |
61 |
|
[EDO]A:602 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20909 |
64.3 |
1.8 |
0.843 |
2 |
0 |
0 |
0.000 |
55 |
62 |
|
[EDO]A:605 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20909 |
62.1 |
0.7 |
0.600 |
2 |
0 |
0 |
0.001 |
56 |
63 |
|
[EDO]C:602 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
20713 |
61.2 |
1.6 |
0.857 |
2 |
0 |
0 |
0.000 |
57 |
64 |
|
[EDO]B:603 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
21084 |
59.7 |
1.6 |
0.856 |
2 |
0 |
0 |
0.000 |
58 |
65 |
|
[SO4]B:618 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
20994 |
59.6 |
-6.9 |
0.955 |
2 |
0 |
0 |
0.044 |
59 |
66 |
|
[EDO]B:607 |
4 |
1 |
182 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
12 |
4 |
20994 |
57.9 |
1.0 |
0.699 |
0 |
0 |
0 |
0.000 |
60 |
67 |
|
[EDO]B:608 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20994 |
57.6 |
1.4 |
0.910 |
3 |
0 |
0 |
0.000 |
61 |
68 |
|
[EDO]B:606 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20994 |
57.1 |
1.5 |
0.301 |
2 |
0 |
0 |
0.000 |
62 |
69 |
|
[SO4]A:609 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
20909 |
57.0 |
-6.3 |
0.947 |
2 |
0 |
0 |
0.042 |
63 |
70 |
|
[EDO]B:606 |
4 |
1 |
182 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
13 |
5 |
20994 |
56.0 |
1.4 |
0.257 |
0 |
0 |
0 |
0.000 |
64 |
71 |
|
[EDO]A:605 |
4 |
1 |
183 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
9 |
4 |
20909 |
55.8 |
1.4 |
0.690 |
0 |
0 |
0 |
0.000 |
65 |
72 |
|
[SO4]C:610 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
20713 |
55.8 |
-5.7 |
0.974 |
3 |
0 |
0 |
0.040 |
66 |
73 |
|
[EDO]B:607 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
20994 |
50.4 |
1.0 |
0.214 |
1 |
0 |
0 |
0.000 |
67 |
74 |
|
[EDO]C:602 |
3 |
1 |
180 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20909 |
50.2 |
1.3 |
0.261 |
0 |
0 |
0 |
0.000 |
68 |
75 |
|
[EDO]A:602 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
20713 |
48.1 |
1.2 |
0.270 |
0 |
0 |
0 |
0.000 |
69 |
76 |
|
[EDO]B:603 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
20994 |
47.2 |
1.2 |
0.266 |
0 |
0 |
0 |
0.000 |
70 |
77 |
|
[EDO]B:608 |
3 |
1 |
182 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
9 |
3 |
20994 |
47.1 |
0.8 |
0.193 |
0 |
0 |
0 |
0.000 |
71 |
78 |
|
[EDO]B:610 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
20713 |
46.9 |
1.0 |
0.821 |
0 |
0 |
0 |
0.000 |
72 |
79 |
|
[EDO]B:604 |
3 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
21084 |
46.6 |
1.1 |
0.727 |
0 |
0 |
0 |
0.000 |
73 |
80 |
|
[EDO]B:610 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
20994 |
45.3 |
1.2 |
0.893 |
1 |
0 |
0 |
0.000 |
74 |
81 |
|
B |
5 |
1 |
20994 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
20909 |
36.6 |
-1.0 |
0.216 |
0 |
0 |
0 |
0.005 |
82 |
|
D |
5 |
1 |
21084 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
20713 |
35.7 |
-1.0 |
0.230 |
0 |
0 |
0 |
0.005 |
Average: |
36.1 |
-1.0 |
0.223 |
0 |
0 |
0 |
0.005 |
75 |
83 |
|
[EDO]B:613 |
2 |
1 |
183 |
f |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
9 |
3 |
20994 |
36.0 |
0.8 |
0.828 |
0 |
0 |
0 |
0.000 |
76 |
84 |
|
[EDO]C:603 |
3 |
1 |
183 |
f |
[FDA]C:601 |
x,y,z |
1_555 |
5 |
1 |
1006 |
34.1 |
1.2 |
0.775 |
0 |
0 |
0 |
0.000 |
77 |
85 |
|
[EDO]B:607 |
4 |
1 |
182 |
f |
[EDO]B:606 |
x,y,z |
1_555 |
4 |
1 |
182 |
32.7 |
1.3 |
1.000 |
2 |
0 |
0 |
0.000 |
78 |
86 |
|
[EDO]B:607 |
2 |
1 |
182 |
f |
[EDO]B:602 |
x,y,z |
1_555 |
4 |
1 |
182 |
29.9 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
79 |
87 |
|
[EDO]B:605 |
3 |
1 |
183 |
f |
[FDA]B:601 |
x,y,z |
1_555 |
3 |
1 |
1011 |
29.2 |
-0.3 |
0.602 |
2 |
0 |
0 |
0.007 |
80 |
88 |
|
[EDO]D:604 |
4 |
1 |
182 |
f |
[EDO]B:603 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.5 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
81 |
89 |
|
[EDO]D:604 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20994 |
24.5 |
0.7 |
0.723 |
0 |
0 |
0 |
0.000 |
82 |
90 |
|
[SO4]C:610 |
4 |
1 |
185 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
2 |
2 |
20994 |
24.3 |
-2.2 |
0.936 |
1 |
0 |
0 |
0.014 |
83 |
91 |
|
[EDO]A:605 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21084 |
18.4 |
0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
84 |
92 |
|
[EDO]B:606 |
3 |
1 |
182 |
f |
[EDO]B:602 |
x,y,z |
1_555 |
1 |
1 |
182 |
17.8 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
85 |
93 |
|
[SO4]C:613 |
1 |
1 |
185 |
f |
[EDO]C:603 |
x,y,z |
1_555 |
2 |
1 |
183 |
7.5 |
-0.8 |
0.894 |
0 |
0 |
0 |
0.005 |
86 |
94 |
|
[SO4]B:615 |
3 |
1 |
185 |
◊ |
[EDO]B:607 |
-y+1,-x+1,-z+7/6 |
10_666 |
2 |
1 |
182 |
6.4 |
-0.5 |
0.996 |
0 |
0 |
0 |
0.002 |
87 |
95 |
|
[EDO]B:602 |
2 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
20994 |
5.9 |
0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
88 |
96 |
|
[EDO]B:608 |
2 |
1 |
182 |
f |
[EDO]B:606 |
x,y,z |
1_555 |
1 |
1 |
182 |
5.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
89 |
97 |
|
[SO4]A:611 |
1 |
1 |
184 |
◊ |
[SO4]A:611 |
-y+1,-x+1,-z+7/6 |
10_666 |
1 |
1 |
184 |
4.3 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.003 |
90 |
98 |
|
[SO4]B:620 |
1 |
1 |
185 |
f |
[EDO]B:605 |
x,y,z |
1_555 |
1 |
1 |
183 |
3.3 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
|