| ## |
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 |
396 |
104 |
21562 |
◊ |
E |
x,y,z |
1_555 |
391 |
102 |
21688 |
3811.1 |
-34.8 |
0.111 |
55 |
23 |
0 |
0.300 |
2 |
|
D |
382 |
102 |
21698 |
◊ |
C |
x,y,z |
1_555 |
382 |
103 |
21521 |
3802.9 |
-36.9 |
0.090 |
51 |
24 |
0 |
0.300 |
3 |
|
H |
390 |
103 |
21460 |
◊ |
G |
x,y,z |
1_555 |
387 |
101 |
21742 |
3785.6 |
-37.0 |
0.080 |
54 |
23 |
0 |
0.300 |
4 |
|
B |
384 |
104 |
21514 |
◊ |
A |
x,y,z |
1_555 |
391 |
104 |
21616 |
3758.5 |
-38.2 |
0.085 |
50 |
24 |
0 |
0.300 |
| Average: |
3789.5 |
-36.7 |
0.092 |
53 |
24 |
0 |
0.300 |
| 2 |
5 |
|
[FAD]E:480 |
51 |
1 |
1014 |
f |
E |
x,y,z |
1_555 |
111 |
47 |
21688 |
676.4 |
-8.5 |
0.451 |
15 |
0 |
0 |
0.149 |
6 |
|
[FAD]G:480 |
52 |
1 |
1009 |
f |
G |
x,y,z |
1_555 |
114 |
47 |
21742 |
674.7 |
-9.0 |
0.444 |
16 |
0 |
0 |
0.149 |
7 |
|
[FAD]D:480 |
52 |
1 |
1013 |
f |
D |
x,y,z |
1_555 |
111 |
46 |
21698 |
673.9 |
-9.0 |
0.438 |
15 |
0 |
0 |
0.149 |
8 |
|
[FAD]A:480 |
52 |
1 |
1012 |
f |
A |
x,y,z |
1_555 |
112 |
46 |
21616 |
673.1 |
-9.0 |
0.458 |
14 |
0 |
0 |
0.149 |
9 |
|
[FAD]H:480 |
52 |
1 |
1014 |
f |
H |
x,y,z |
1_555 |
107 |
46 |
21460 |
671.4 |
-9.2 |
0.423 |
17 |
0 |
0 |
0.149 |
10 |
|
[FAD]C:480 |
52 |
1 |
1013 |
f |
C |
x,y,z |
1_555 |
109 |
46 |
21521 |
669.0 |
-9.2 |
0.432 |
17 |
0 |
0 |
0.149 |
11 |
|
[FAD]F:480 |
52 |
1 |
1008 |
f |
F |
x,y,z |
1_555 |
112 |
46 |
21562 |
667.5 |
-8.8 |
0.449 |
17 |
0 |
0 |
0.149 |
12 |
|
[FAD]B:480 |
52 |
1 |
1013 |
f |
B |
x,y,z |
1_555 |
109 |
46 |
21514 |
667.4 |
-9.0 |
0.422 |
17 |
0 |
0 |
0.149 |
| Average: |
671.7 |
-9.0 |
0.440 |
16 |
0 |
0 |
0.149 |
| 3 |
13 |
|
[NAI]G:481 |
41 |
1 |
846 |
f |
G |
x,y,z |
1_555 |
73 |
28 |
21742 |
569.1 |
-5.7 |
0.386 |
6 |
0 |
0 |
0.081 |
14 |
|
[NAI]A:481 |
41 |
1 |
842 |
f |
A |
x,y,z |
1_555 |
77 |
31 |
21616 |
560.2 |
-6.3 |
0.386 |
5 |
0 |
0 |
0.081 |
15 |
|
[NAI]D:481 |
42 |
1 |
839 |
f |
D |
x,y,z |
1_555 |
78 |
31 |
21698 |
559.0 |
-6.5 |
0.367 |
5 |
0 |
0 |
0.081 |
16 |
|
[NAI]E:481 |
42 |
1 |
834 |
f |
E |
x,y,z |
1_555 |
76 |
30 |
21688 |
556.6 |
-7.1 |
0.330 |
5 |
0 |
0 |
0.081 |
17 |
|
[NAI]F:481 |
42 |
1 |
836 |
f |
F |
x,y,z |
1_555 |
78 |
31 |
21562 |
556.0 |
-6.4 |
0.394 |
5 |
0 |
0 |
0.081 |
18 |
|
[NAI]B:481 |
41 |
1 |
832 |
f |
B |
x,y,z |
1_555 |
80 |
31 |
21514 |
552.4 |
-6.5 |
0.373 |
5 |
0 |
0 |
0.081 |
19 |
|
[NAI]H:481 |
43 |
1 |
828 |
f |
H |
x,y,z |
1_555 |
81 |
32 |
21460 |
552.0 |
-6.9 |
0.378 |
5 |
0 |
0 |
0.081 |
20 |
|
[NAI]C:481 |
42 |
1 |
831 |
f |
C |
x,y,z |
1_555 |
78 |
30 |
21521 |
551.5 |
-6.3 |
0.398 |
5 |
0 |
0 |
0.081 |
| Average: |
557.1 |
-6.4 |
0.376 |
5 |
0 |
0 |
0.081 |
| 4 |
21 |
|
G |
68 |
21 |
21742 |
◊ |
F |
x,y,z |
1_555 |
70 |
23 |
21562 |
569.0 |
-5.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| 5 |
22 |
|
G |
68 |
22 |
21742 |
◊ |
D |
x-1/2,-y+3/2,-z-1 |
4_464 |
70 |
22 |
21698 |
556.8 |
-0.2 |
0.741 |
9 |
4 |
0 |
0.000 |
23 |
|
F |
68 |
20 |
21562 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
21616 |
553.2 |
-1.0 |
0.705 |
9 |
4 |
0 |
0.000 |
| Average: |
555.0 |
-0.6 |
0.723 |
9 |
4 |
0 |
0.000 |
| 6 |
24 |
|
F |
33 |
14 |
21562 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
21514 |
321.2 |
0.5 |
0.712 |
3 |
2 |
0 |
0.000 |
25 |
|
H |
38 |
14 |
21460 |
◊ |
D |
x-1/2,-y+3/2,-z-1 |
4_464 |
33 |
15 |
21698 |
310.7 |
0.2 |
0.715 |
3 |
2 |
0 |
0.000 |
26 |
|
G |
32 |
13 |
21742 |
◊ |
C |
x-1/2,-y+3/2,-z-1 |
4_464 |
41 |
14 |
21521 |
309.1 |
0.5 |
0.756 |
3 |
2 |
0 |
0.000 |
27 |
|
E |
38 |
15 |
21688 |
◊ |
A |
x,y,z |
1_555 |
36 |
17 |
21616 |
305.4 |
1.1 |
0.797 |
3 |
2 |
0 |
0.000 |
| Average: |
311.6 |
0.6 |
0.745 |
3 |
2 |
0 |
0.000 |
| 7 |
28 |
|
B |
33 |
11 |
21514 |
◊ |
E |
-x+1,-y+1,z-1 |
2_664 |
31 |
10 |
21688 |
304.8 |
-2.1 |
0.463 |
4 |
2 |
0 |
0.000 |
29 |
|
C |
34 |
11 |
21521 |
◊ |
H |
-x+3/2,y-1/2,-z-2 |
3_643 |
33 |
11 |
21460 |
303.5 |
-2.2 |
0.480 |
5 |
2 |
0 |
0.000 |
| Average: |
304.1 |
-2.2 |
0.472 |
5 |
2 |
0 |
0.000 |
| 8 |
30 |
|
E |
30 |
12 |
21688 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
29 |
12 |
21688 |
262.2 |
5.5 |
0.965 |
0 |
4 |
0 |
0.000 |
31 |
|
H |
26 |
11 |
21460 |
◊ |
H |
-x+1,-y+2,z |
2_675 |
26 |
11 |
21460 |
242.2 |
5.2 |
0.969 |
4 |
4 |
0 |
0.000 |
32 |
|
C |
19 |
6 |
21521 |
◊ |
C |
-x+2,-y+1,z |
2_765 |
19 |
6 |
21521 |
194.3 |
4.7 |
0.970 |
4 |
4 |
0 |
0.000 |
33 |
|
B |
22 |
8 |
21514 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
22 |
8 |
21514 |
193.0 |
4.6 |
0.962 |
2 |
4 |
0 |
0.000 |
| Average: |
222.9 |
5.0 |
0.967 |
3 |
4 |
0 |
0.000 |
| 9 |
34 |
|
H |
29 |
7 |
21460 |
◊ |
G |
-x+1,-y+2,z |
2_675 |
24 |
4 |
21742 |
217.8 |
-0.2 |
0.658 |
3 |
2 |
0 |
0.000 |
35 |
|
B |
27 |
6 |
21514 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
22 |
4 |
21616 |
214.8 |
0.4 |
0.709 |
1 |
1 |
0 |
0.000 |
36 |
|
D |
22 |
4 |
21698 |
◊ |
C |
-x+2,-y+1,z |
2_765 |
29 |
7 |
21521 |
209.7 |
0.7 |
0.726 |
1 |
1 |
0 |
0.000 |
37 |
|
F |
26 |
4 |
21562 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
27 |
6 |
21688 |
208.3 |
-0.3 |
0.636 |
1 |
2 |
0 |
0.000 |
| Average: |
212.6 |
0.2 |
0.682 |
2 |
2 |
0 |
0.000 |
| 10 |
38 |
|
H |
15 |
7 |
21460 |
◊ |
F |
x-1/2,-y+3/2,-z-1 |
4_464 |
21 |
6 |
21562 |
163.2 |
-0.4 |
0.570 |
2 |
2 |
0 |
0.000 |
| 11 |
39 |
|
[SO4]E:2016 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
21 |
9 |
21688 |
104.0 |
-16.5 |
0.767 |
6 |
0 |
0 |
0.085 |
| 12 |
40 |
|
[SO4]H:2028 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
19 |
8 |
21460 |
103.6 |
-16.4 |
0.782 |
5 |
0 |
0 |
0.082 |
| 13 |
41 |
|
[SO4]C:2008 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
21521 |
103.4 |
-16.3 |
0.758 |
5 |
0 |
0 |
0.081 |
| 14 |
42 |
|
[SO4]B:2004 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
21514 |
102.4 |
-15.6 |
0.742 |
5 |
0 |
0 |
0.083 |
| 15 |
43 |
|
[SO4]G:2024 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
19 |
9 |
21742 |
102.4 |
-16.8 |
0.699 |
5 |
0 |
0 |
0.084 |
| 16 |
44 |
|
[SO4]A:2001 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
21616 |
102.0 |
-16.7 |
0.782 |
5 |
0 |
0 |
0.089 |
| 17 |
45 |
|
[SO4]D:2012 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
21698 |
102.0 |
-16.8 |
0.773 |
4 |
0 |
0 |
0.081 |
| 18 |
46 |
|
[SO4]F:2020 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
21 |
9 |
21562 |
99.5 |
-16.0 |
0.787 |
5 |
0 |
0 |
0.081 |
| 19 |
47 |
|
[NAI]C:481 |
13 |
1 |
831 |
f |
[FAD]C:480 |
x,y,z |
1_555 |
19 |
1 |
1013 |
98.3 |
0.3 |
0.673 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAI]E:481 |
13 |
1 |
834 |
f |
[FAD]E:480 |
x,y,z |
1_555 |
19 |
1 |
1014 |
98.2 |
0.4 |
0.683 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAI]F:481 |
13 |
1 |
836 |
f |
[FAD]F:480 |
x,y,z |
1_555 |
18 |
1 |
1008 |
97.1 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
50 |
|
[NAI]B:481 |
13 |
1 |
832 |
f |
[FAD]B:480 |
x,y,z |
1_555 |
19 |
1 |
1013 |
97.0 |
0.4 |
0.669 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAI]A:481 |
13 |
1 |
842 |
f |
[FAD]A:480 |
x,y,z |
1_555 |
19 |
1 |
1012 |
96.9 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
52 |
|
[NAI]H:481 |
13 |
1 |
828 |
f |
[FAD]H:480 |
x,y,z |
1_555 |
19 |
1 |
1014 |
96.9 |
0.4 |
0.689 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAI]D:481 |
13 |
1 |
839 |
f |
[FAD]D:480 |
x,y,z |
1_555 |
18 |
1 |
1013 |
96.1 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAI]G:481 |
13 |
1 |
846 |
f |
[FAD]G:480 |
x,y,z |
1_555 |
18 |
1 |
1009 |
94.9 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
| Average: |
96.9 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
| 20 |
55 |
|
E |
13 |
6 |
21688 |
◊ |
G |
x-1/2,-y+3/2,-z-1 |
4_464 |
16 |
7 |
21742 |
96.8 |
-0.4 |
0.581 |
1 |
0 |
0 |
0.000 |
| 21 |
56 |
|
[SO4]H:2027 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
21460 |
89.5 |
-10.9 |
0.880 |
4 |
0 |
0 |
0.056 |
| 22 |
57 |
|
[SO4]E:2017 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
21688 |
89.4 |
-13.5 |
0.739 |
2 |
0 |
0 |
0.064 |
| 23 |
58 |
|
[SO4]H:2029 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
21460 |
88.3 |
-13.5 |
0.728 |
2 |
0 |
0 |
0.063 |
| 24 |
59 |
|
[SO4]C:2009 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
21521 |
88.1 |
-13.4 |
0.756 |
2 |
0 |
0 |
0.063 |
| 25 |
60 |
|
[SO4]E:2015 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
21688 |
86.5 |
-10.7 |
0.901 |
4 |
0 |
0 |
0.055 |
| 26 |
61 |
|
[SO4]G:2023 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
21742 |
86.5 |
-11.3 |
0.771 |
3 |
0 |
0 |
0.056 |
| 27 |
62 |
|
[SO4]B:2005 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
21514 |
86.2 |
-13.2 |
0.768 |
3 |
0 |
0 |
0.068 |
| 28 |
63 |
|
[SO4]F:2021 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
21562 |
85.8 |
-13.1 |
0.828 |
2 |
0 |
0 |
0.062 |
| 29 |
64 |
|
[SO4]C:2010 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
21521 |
85.8 |
-12.0 |
0.876 |
4 |
0 |
0 |
0.064 |
65 |
|
[SO4]B:2006 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21514 |
85.4 |
-11.8 |
0.877 |
4 |
0 |
0 |
0.064 |
| Average: |
85.6 |
-11.9 |
0.876 |
4 |
0 |
0 |
0.064 |
| 30 |
66 |
|
[SO4]H:2030 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
21460 |
83.5 |
-11.4 |
0.877 |
5 |
0 |
0 |
0.060 |
| 31 |
67 |
|
[SO4]A:2000 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21616 |
83.5 |
-10.5 |
0.819 |
3 |
0 |
0 |
0.055 |
| 32 |
68 |
|
[SO4]F:2019 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
21562 |
83.0 |
-10.9 |
0.791 |
4 |
0 |
0 |
0.056 |
| 33 |
69 |
|
[SO4]G:2025 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
21742 |
82.8 |
-12.2 |
0.729 |
2 |
0 |
0 |
0.057 |
| 34 |
70 |
|
[SO4]D:2014 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
21698 |
81.3 |
-10.9 |
0.889 |
4 |
0 |
0 |
0.056 |
| 35 |
71 |
|
[SO4]E:2018 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
21688 |
81.1 |
-11.1 |
0.879 |
5 |
0 |
0 |
0.059 |
| 36 |
72 |
|
[SO4]D:2011 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
21698 |
81.0 |
-10.7 |
0.769 |
3 |
0 |
0 |
0.053 |
| 37 |
73 |
|
[SO4]D:2013 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
21698 |
80.0 |
-12.3 |
0.749 |
3 |
0 |
0 |
0.060 |
| 38 |
74 |
|
[SO4]B:2003 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21514 |
79.8 |
-10.4 |
0.800 |
2 |
0 |
0 |
0.053 |
| 39 |
75 |
|
[SO4]A:2002 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
21616 |
78.7 |
-10.6 |
0.913 |
5 |
0 |
0 |
0.060 |
| 40 |
76 |
|
[SO4]C:2007 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
21521 |
77.3 |
-10.5 |
0.805 |
4 |
0 |
0 |
0.054 |
| 41 |
77 |
|
[NAI]F:481 |
10 |
1 |
836 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
21742 |
70.2 |
1.3 |
0.810 |
0 |
0 |
0 |
0.000 |
78 |
|
[NAI]G:481 |
6 |
1 |
846 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
21562 |
46.0 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.000 |
| Average: |
58.1 |
0.6 |
0.623 |
0 |
0 |
0 |
0.000 |
| 42 |
79 |
|
[SO4]F:2022 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
21562 |
66.9 |
-7.7 |
0.911 |
3 |
0 |
0 |
0.040 |
| 43 |
80 |
|
D |
9 |
5 |
21698 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21514 |
65.8 |
0.2 |
0.670 |
1 |
1 |
0 |
0.000 |
| 44 |
81 |
|
[SO4]G:2026 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
21742 |
62.1 |
-6.9 |
0.923 |
4 |
0 |
0 |
0.038 |
| 45 |
82 |
|
E |
2 |
1 |
21688 |
◊ |
D |
x-1/2,-y+3/2,-z-1 |
4_464 |
8 |
3 |
21698 |
55.4 |
0.8 |
0.820 |
2 |
0 |
0 |
0.000 |
83 |
|
H |
2 |
1 |
21460 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
21616 |
54.7 |
0.8 |
0.822 |
2 |
0 |
0 |
0.000 |
| Average: |
55.1 |
0.8 |
0.821 |
2 |
0 |
0 |
0.000 |
| 46 |
84 |
|
B |
7 |
3 |
21514 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
2 |
21688 |
48.8 |
1.4 |
0.899 |
0 |
0 |
0 |
0.000 |
85 |
|
H |
3 |
1 |
21460 |
◊ |
C |
x-1/2,-y+3/2,-z-2 |
4_463 |
2 |
1 |
21521 |
30.2 |
0.5 |
0.810 |
1 |
2 |
0 |
0.000 |
| Average: |
39.5 |
0.9 |
0.854 |
1 |
1 |
0 |
0.000 |
| 47 |
86 |
|
[FAD]B:480 |
5 |
1 |
1013 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21616 |
47.7 |
0.1 |
0.568 |
1 |
0 |
0 |
0.003 |
87 |
|
[FAD]C:480 |
5 |
1 |
1013 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
21698 |
47.6 |
0.2 |
0.554 |
1 |
0 |
0 |
0.003 |
88 |
|
[FAD]H:480 |
5 |
1 |
1014 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
21742 |
46.6 |
0.2 |
0.573 |
1 |
0 |
0 |
0.003 |
89 |
|
[FAD]E:480 |
5 |
1 |
1014 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
21562 |
46.5 |
0.2 |
0.573 |
1 |
0 |
0 |
0.003 |
90 |
|
[FAD]F:480 |
5 |
1 |
1008 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
21688 |
46.0 |
0.1 |
0.559 |
1 |
0 |
0 |
0.003 |
91 |
|
[FAD]D:480 |
5 |
1 |
1013 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
21521 |
45.8 |
0.2 |
0.582 |
1 |
0 |
0 |
0.003 |
92 |
|
[FAD]G:480 |
5 |
1 |
1009 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
21460 |
45.0 |
0.2 |
0.577 |
1 |
0 |
0 |
0.003 |
93 |
|
[FAD]A:480 |
5 |
1 |
1012 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
21514 |
45.0 |
0.2 |
0.587 |
1 |
0 |
0 |
0.003 |
| Average: |
46.3 |
0.2 |
0.572 |
1 |
0 |
0 |
0.003 |
| 48 |
94 |
|
[SO4]E:2017 |
4 |
1 |
187 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
3 |
1 |
21562 |
39.7 |
-3.1 |
0.972 |
1 |
0 |
0 |
0.000 |
| 49 |
95 |
|
[SO4]H:2029 |
4 |
1 |
187 |
◊ |
G |
-x+1,-y+2,z |
2_675 |
2 |
1 |
21742 |
38.1 |
-3.5 |
0.964 |
1 |
0 |
0 |
0.000 |
| 50 |
96 |
|
[SO4]C:2009 |
4 |
1 |
187 |
◊ |
D |
-x+2,-y+1,z |
2_765 |
2 |
1 |
21698 |
36.6 |
-3.8 |
0.893 |
1 |
0 |
0 |
0.000 |
97 |
|
[SO4]B:2005 |
4 |
1 |
188 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
2 |
1 |
21616 |
36.6 |
-3.8 |
0.901 |
1 |
0 |
0 |
0.000 |
| Average: |
36.6 |
-3.8 |
0.897 |
1 |
0 |
0 |
0.000 |
| 51 |
98 |
|
[SO4]F:2022 |
3 |
1 |
189 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
21742 |
36.1 |
-3.6 |
0.923 |
1 |
0 |
0 |
0.000 |
| 52 |
99 |
|
[SO4]G:2026 |
3 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
21562 |
33.6 |
-4.2 |
0.459 |
0 |
0 |
0 |
0.000 |
| 53 |
100 |
|
[NAI]C:481 |
3 |
1 |
831 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
21698 |
7.5 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
101 |
|
[NAI]B:481 |
3 |
1 |
832 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
21616 |
6.7 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
102 |
|
[NAI]F:481 |
3 |
1 |
836 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
21688 |
6.2 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
103 |
|
[NAI]D:481 |
2 |
1 |
839 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21521 |
5.6 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
104 |
|
[NAI]A:481 |
2 |
1 |
842 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21514 |
5.4 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
105 |
|
[NAI]H:481 |
3 |
1 |
828 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
21742 |
4.3 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
106 |
|
[NAI]E:481 |
2 |
1 |
834 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
21562 |
3.9 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| Average: |
5.7 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| 54 |
107 |
|
[NAI]G:481 |
3 |
1 |
846 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
21460 |
4.5 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
| 55 |
108 |
|
G |
1 |
1 |
21742 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21616 |
0.3 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|