## |
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 |
60 |
16 |
5178 |
x |
C |
x,y,z |
1_555 |
61 |
15 |
4978 |
557.0 |
-5.7 |
0.195 |
8 |
1 |
0 |
0.174 |
2 |
|
C |
58 |
16 |
4978 |
x |
B |
-y+1,x-y,z |
2_655 |
59 |
15 |
4876 |
554.6 |
-4.8 |
0.246 |
8 |
2 |
0 |
0.174 |
3 |
|
H |
60 |
16 |
5176 |
x |
G |
x,y,z |
1_555 |
62 |
15 |
4981 |
553.7 |
-5.9 |
0.171 |
8 |
1 |
0 |
0.174 |
4 |
|
D |
60 |
15 |
5178 |
x |
B |
-y+1,x-y,z |
2_655 |
60 |
16 |
4876 |
552.6 |
-5.5 |
0.209 |
7 |
3 |
0 |
0.174 |
5 |
|
H |
60 |
15 |
5176 |
x |
F |
-y+1,x-y,z |
2_655 |
59 |
16 |
4865 |
552.5 |
-5.3 |
0.222 |
10 |
5 |
0 |
0.174 |
6 |
|
G |
59 |
16 |
4981 |
x |
F |
-y+1,x-y,z |
2_655 |
58 |
15 |
4865 |
550.1 |
-4.6 |
0.247 |
8 |
3 |
0 |
0.174 |
7 |
|
A |
59 |
15 |
4947 |
x |
A |
-y+1,x-y,z |
2_655 |
57 |
15 |
4947 |
540.5 |
-5.5 |
0.229 |
9 |
3 |
0 |
0.174 |
8 |
|
E |
60 |
15 |
5116 |
x |
E |
-y+1,x-y,z |
2_655 |
57 |
16 |
5116 |
534.7 |
-5.8 |
0.207 |
8 |
2 |
0 |
0.174 |
Average: |
549.5 |
-5.4 |
0.216 |
8 |
3 |
0 |
0.174 |
2 |
9 |
|
G |
57 |
17 |
4981 |
x |
E |
x,y,z |
1_555 |
56 |
14 |
5116 |
518.5 |
-0.1 |
0.549 |
11 |
2 |
0 |
0.335 |
10 |
|
H |
55 |
12 |
5176 |
x |
H |
-y+1,x-y,z |
2_655 |
55 |
16 |
5176 |
509.0 |
-0.3 |
0.541 |
12 |
4 |
0 |
0.335 |
11 |
|
D |
56 |
14 |
5178 |
x |
D |
-y+1,x-y,z |
2_655 |
55 |
16 |
5178 |
501.9 |
0.3 |
0.576 |
13 |
4 |
0 |
0.335 |
12 |
|
G |
50 |
13 |
4981 |
x |
F |
x,y,z |
1_555 |
51 |
16 |
4865 |
470.2 |
0.5 |
0.596 |
11 |
4 |
0 |
0.335 |
13 |
|
C |
49 |
12 |
4978 |
x |
B |
x,y,z |
1_555 |
52 |
16 |
4876 |
469.0 |
0.1 |
0.582 |
11 |
3 |
0 |
0.335 |
14 |
|
C |
49 |
15 |
4978 |
x |
A |
x,y,z |
1_555 |
48 |
12 |
4947 |
462.8 |
0.3 |
0.594 |
12 |
4 |
0 |
0.335 |
15 |
|
F |
49 |
11 |
4865 |
x |
E |
x,y,z |
1_555 |
45 |
14 |
5116 |
425.9 |
-0.3 |
0.565 |
10 |
3 |
0 |
0.335 |
16 |
|
B |
48 |
11 |
4876 |
x |
A |
x,y,z |
1_555 |
45 |
14 |
4947 |
423.5 |
-0.5 |
0.546 |
10 |
3 |
0 |
0.335 |
Average: |
472.6 |
0.0 |
0.569 |
11 |
3 |
0 |
0.335 |
3 |
17 |
|
[FAD]D:1204 |
45 |
1 |
1009 |
f |
D |
x,y,z |
1_555 |
55 |
13 |
5178 |
388.9 |
-4.5 |
0.548 |
3 |
0 |
0 |
0.258 |
4 |
18 |
|
[FAD]F:1206 |
42 |
1 |
1006 |
f |
F |
x,y,z |
1_555 |
51 |
13 |
4865 |
385.2 |
-0.6 |
0.717 |
5 |
0 |
0 |
0.246 |
19 |
|
[FAD]E:1205 |
44 |
1 |
1013 |
f |
E |
x,y,z |
1_555 |
52 |
13 |
5116 |
378.8 |
-1.4 |
0.702 |
5 |
0 |
0 |
0.246 |
20 |
|
[FAD]A:1201 |
42 |
1 |
1012 |
f |
A |
x,y,z |
1_555 |
57 |
13 |
4947 |
377.2 |
-1.8 |
0.653 |
5 |
0 |
0 |
0.246 |
21 |
|
[FAD]H:1208 |
42 |
1 |
1005 |
f |
H |
x,y,z |
1_555 |
54 |
13 |
5176 |
376.1 |
-2.2 |
0.593 |
6 |
0 |
0 |
0.246 |
22 |
|
[FAD]B:1202 |
45 |
1 |
1012 |
f |
B |
x,y,z |
1_555 |
50 |
13 |
4876 |
367.2 |
-1.7 |
0.683 |
4 |
0 |
0 |
0.246 |
23 |
|
[FAD]C:1203 |
42 |
1 |
1011 |
f |
C |
x,y,z |
1_555 |
42 |
11 |
4978 |
334.1 |
-3.1 |
0.561 |
3 |
0 |
0 |
0.246 |
24 |
|
[FAD]G:1207 |
42 |
1 |
1010 |
f |
G |
x,y,z |
1_555 |
44 |
12 |
4981 |
333.8 |
-3.2 |
0.551 |
3 |
0 |
0 |
0.246 |
Average: |
364.6 |
-2.0 |
0.637 |
4 |
0 |
0 |
0.246 |
5 |
25 |
|
E |
37 |
11 |
5116 |
◊ |
D |
-y+1,x-y,z+1 |
2_656 |
34 |
10 |
5178 |
316.0 |
3.0 |
0.768 |
9 |
4 |
0 |
0.000 |
26 |
|
H |
33 |
10 |
5176 |
◊ |
A |
-y+1,x-y,z |
2_655 |
32 |
9 |
4947 |
307.3 |
2.5 |
0.760 |
9 |
4 |
0 |
0.000 |
Average: |
311.6 |
2.8 |
0.764 |
9 |
4 |
0 |
0.000 |
6 |
27 |
|
C |
31 |
7 |
4978 |
x |
C |
-y,x-y-1,z |
2_545 |
25 |
7 |
4978 |
241.9 |
2.0 |
0.739 |
3 |
0 |
0 |
0.000 |
28 |
|
G |
28 |
7 |
4981 |
x |
G |
-y,x-y,z |
2_555 |
26 |
7 |
4981 |
237.0 |
1.5 |
0.683 |
3 |
0 |
0 |
0.000 |
Average: |
239.4 |
1.8 |
0.711 |
3 |
0 |
0 |
0.000 |
7 |
29 |
|
[FAD]D:1204 |
22 |
1 |
1009 |
◊ |
B |
-y+1,x-y,z |
2_655 |
24 |
7 |
4876 |
177.2 |
-1.4 |
0.648 |
4 |
0 |
0 |
0.019 |
8 |
30 |
|
[FAD]H:1208 |
21 |
1 |
1005 |
◊ |
F |
-y+1,x-y,z |
2_655 |
26 |
7 |
4865 |
168.3 |
2.1 |
0.812 |
4 |
0 |
0 |
0.015 |
31 |
|
C |
19 |
6 |
4978 |
◊ |
[FAD]B:1202 |
-y+1,x-y,z |
2_655 |
13 |
1 |
1012 |
134.4 |
1.2 |
0.765 |
4 |
0 |
0 |
0.015 |
32 |
|
[FAD]A:1201 |
11 |
1 |
1012 |
◊ |
A |
-y+1,x-y,z |
2_655 |
20 |
6 |
4947 |
127.0 |
1.2 |
0.760 |
4 |
0 |
0 |
0.015 |
33 |
|
[FAD]C:1203 |
11 |
1 |
1011 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
5178 |
124.2 |
1.4 |
0.775 |
4 |
0 |
0 |
0.015 |
34 |
|
[FAD]G:1207 |
12 |
1 |
1010 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
5176 |
121.9 |
1.1 |
0.745 |
4 |
0 |
0 |
0.015 |
35 |
|
[FAD]E:1205 |
12 |
1 |
1013 |
◊ |
E |
-y+1,x-y,z |
2_655 |
17 |
6 |
5116 |
120.8 |
0.8 |
0.734 |
4 |
0 |
0 |
0.015 |
Average: |
132.8 |
1.3 |
0.765 |
4 |
0 |
0 |
0.015 |
9 |
36 |
|
B |
15 |
6 |
4876 |
◊ |
C |
-y,x-y,z |
2_555 |
14 |
4 |
4978 |
130.0 |
0.1 |
0.560 |
1 |
0 |
0 |
0.000 |
37 |
|
F |
14 |
5 |
4865 |
◊ |
G |
-y+1,x-y+1,z |
2_665 |
13 |
3 |
4981 |
122.5 |
-0.5 |
0.492 |
1 |
0 |
0 |
0.000 |
Average: |
126.3 |
-0.2 |
0.526 |
1 |
0 |
0 |
0.000 |
10 |
38 |
|
G |
18 |
7 |
4981 |
◊ |
[FAD]F:1206 |
-y+1,x-y,z |
2_655 |
11 |
1 |
1006 |
123.5 |
1.0 |
0.741 |
4 |
0 |
0 |
0.005 |
11 |
39 |
|
[FAD]D:1204 |
21 |
1 |
1009 |
◊ |
[FAD]C:1203 |
-y+1,x-y,z |
2_655 |
21 |
1 |
1011 |
119.6 |
3.2 |
0.873 |
0 |
0 |
0 |
0.000 |
12 |
40 |
|
[FAD]H:1208 |
21 |
1 |
1005 |
◊ |
[FAD]G:1207 |
-y+1,x-y,z |
2_655 |
21 |
1 |
1010 |
117.5 |
3.2 |
0.866 |
0 |
0 |
0 |
0.000 |
41 |
|
[FAD]A:1201 |
21 |
1 |
1012 |
◊ |
[FAD]B:1202 |
-y+1,x-y,z |
2_655 |
20 |
1 |
1012 |
116.3 |
3.3 |
0.868 |
0 |
0 |
0 |
0.000 |
42 |
|
[FAD]E:1205 |
21 |
1 |
1013 |
◊ |
[FAD]F:1206 |
-y+1,x-y,z |
2_655 |
20 |
1 |
1006 |
112.3 |
3.2 |
0.872 |
0 |
0 |
0 |
0.000 |
Average: |
115.4 |
3.2 |
0.868 |
0 |
0 |
0 |
0.000 |
13 |
43 |
|
[FAD]A:1201 |
15 |
1 |
1012 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
4978 |
113.3 |
-0.8 |
0.596 |
0 |
0 |
0 |
0.045 |
44 |
|
[FAD]E:1205 |
15 |
1 |
1013 |
◊ |
G |
x,y,z |
1_555 |
17 |
7 |
4981 |
112.3 |
-0.8 |
0.594 |
0 |
0 |
0 |
0.045 |
45 |
|
[FAD]F:1206 |
15 |
1 |
1006 |
◊ |
E |
x,y,z |
1_555 |
17 |
7 |
5116 |
111.7 |
-0.7 |
0.601 |
0 |
0 |
0 |
0.045 |
46 |
|
[FAD]B:1202 |
15 |
1 |
1012 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
4947 |
111.7 |
-0.7 |
0.608 |
0 |
0 |
0 |
0.045 |
47 |
|
[FAD]G:1207 |
15 |
1 |
1010 |
◊ |
F |
x,y,z |
1_555 |
17 |
7 |
4865 |
110.1 |
-0.7 |
0.621 |
0 |
0 |
0 |
0.045 |
48 |
|
[FAD]C:1203 |
14 |
1 |
1011 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
4876 |
110.1 |
-0.7 |
0.607 |
0 |
0 |
0 |
0.045 |
49 |
|
[FAD]H:1208 |
15 |
1 |
1005 |
◊ |
H |
-y+1,x-y,z |
2_655 |
17 |
7 |
5176 |
109.3 |
-0.8 |
0.595 |
0 |
0 |
0 |
0.045 |
Average: |
111.2 |
-0.7 |
0.603 |
0 |
0 |
0 |
0.045 |
14 |
50 |
|
[FAD]D:1204 |
15 |
1 |
1009 |
◊ |
D |
-y+1,x-y,z |
2_655 |
17 |
7 |
5178 |
110.5 |
-0.8 |
0.604 |
0 |
0 |
0 |
0.034 |
15 |
51 |
|
H |
14 |
5 |
5176 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
4947 |
109.7 |
0.9 |
0.670 |
1 |
2 |
0 |
0.000 |
52 |
|
D |
10 |
4 |
5178 |
◊ |
E |
-y+1,x-y,z-1 |
2_654 |
12 |
4 |
5116 |
102.5 |
0.6 |
0.652 |
1 |
2 |
0 |
0.000 |
Average: |
106.1 |
0.8 |
0.661 |
1 |
2 |
0 |
0.000 |
16 |
53 |
|
[PO4]B:2105 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
4876 |
82.7 |
-4.8 |
0.791 |
1 |
0 |
0 |
0.235 |
54 |
|
[PO4]D:2106 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
5178 |
82.0 |
-4.8 |
0.779 |
1 |
0 |
0 |
0.235 |
Average: |
82.3 |
-4.8 |
0.785 |
1 |
0 |
0 |
0.235 |
17 |
55 |
|
[PO4]H:2108 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
5176 |
82.2 |
-5.0 |
0.757 |
1 |
0 |
0 |
0.248 |
56 |
|
[PO4]G:2109 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
4981 |
75.3 |
-4.0 |
0.808 |
1 |
0 |
0 |
0.248 |
Average: |
78.8 |
-4.5 |
0.783 |
1 |
0 |
0 |
0.248 |
18 |
57 |
|
[PO4]F:2107 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
4865 |
82.0 |
-5.0 |
0.756 |
1 |
0 |
0 |
0.098 |
19 |
58 |
|
[K]A:1150 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
8 |
3 |
4947 |
80.5 |
-49.5 |
0.000 |
0 |
0 |
0 |
0.743 |
59 |
|
[K]E:1152 |
1 |
1 |
216 |
x |
E |
x,y,z |
1_555 |
8 |
3 |
5116 |
79.7 |
-48.9 |
0.000 |
0 |
0 |
0 |
0.743 |
60 |
|
[K]G:1153 |
1 |
1 |
216 |
x |
H |
x,y,z |
1_555 |
8 |
3 |
5176 |
68.8 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.743 |
61 |
|
[K]C:1151 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
8 |
3 |
5178 |
68.4 |
-36.8 |
0.000 |
0 |
0 |
0 |
0.743 |
62 |
|
[K]C:1151 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
8 |
3 |
4978 |
67.4 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.743 |
63 |
|
[K]G:1153 |
1 |
1 |
216 |
x |
G |
x,y,z |
1_555 |
8 |
3 |
4981 |
67.1 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.743 |
64 |
|
[K]C:1151 |
1 |
1 |
216 |
x |
B |
-y+1,x-y,z |
2_655 |
8 |
3 |
4876 |
66.0 |
-35.0 |
0.000 |
0 |
0 |
0 |
0.743 |
65 |
|
[K]G:1153 |
1 |
1 |
216 |
x |
F |
-y+1,x-y,z |
2_655 |
8 |
3 |
4865 |
65.2 |
-34.7 |
0.000 |
0 |
0 |
0 |
0.743 |
Average: |
70.4 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.743 |
20 |
66 |
|
[PO4]D:2102 |
5 |
1 |
192 |
fx |
[PO4]D:2102 |
-y+1,x-y,z |
2_655 |
5 |
1 |
192 |
77.7 |
-7.0 |
0.942 |
0 |
0 |
0 |
0.196 |
21 |
67 |
|
E |
8 |
2 |
5116 |
x |
E |
-y,x-y,z |
2_555 |
8 |
3 |
5116 |
77.4 |
0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
68 |
|
A |
2 |
1 |
4947 |
x |
A |
-y,x-y-1,z |
2_545 |
1 |
1 |
4947 |
11.6 |
0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
22 |
69 |
|
F |
10 |
4 |
4865 |
◊ |
G |
-y,x-y,z |
2_555 |
9 |
2 |
4981 |
77.4 |
-0.5 |
0.487 |
0 |
0 |
0 |
0.000 |
70 |
|
B |
10 |
4 |
4876 |
◊ |
C |
-y,x-y-1,z |
2_545 |
9 |
2 |
4978 |
76.2 |
-0.7 |
0.443 |
0 |
0 |
0 |
0.000 |
Average: |
76.8 |
-0.6 |
0.465 |
0 |
0 |
0 |
0.000 |
23 |
71 |
|
D |
8 |
2 |
5178 |
◊ |
[PO4]D:2106 |
-y+1,x-y,z |
2_655 |
5 |
1 |
187 |
68.1 |
-3.3 |
0.820 |
3 |
0 |
0 |
0.204 |
72 |
|
[PO4]B:2105 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
4978 |
66.8 |
-3.1 |
0.821 |
3 |
0 |
0 |
0.204 |
Average: |
67.5 |
-3.2 |
0.820 |
3 |
0 |
0 |
0.204 |
24 |
73 |
|
H |
8 |
2 |
5176 |
◊ |
[PO4]H:2108 |
-y+1,x-y,z |
2_655 |
5 |
1 |
187 |
67.8 |
-3.2 |
0.822 |
3 |
0 |
0 |
0.209 |
74 |
|
[PO4]G:2109 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
5116 |
56.8 |
-3.4 |
0.532 |
1 |
0 |
0 |
0.209 |
Average: |
62.3 |
-3.3 |
0.677 |
2 |
0 |
0 |
0.209 |
25 |
75 |
|
[PO4]F:2107 |
5 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
4981 |
66.8 |
-3.1 |
0.817 |
3 |
0 |
0 |
0.081 |
26 |
76 |
|
E |
4 |
2 |
5116 |
◊ |
[FAD]D:1204 |
-y+1,x-y,z+1 |
2_656 |
5 |
1 |
1009 |
56.2 |
0.9 |
0.654 |
1 |
0 |
0 |
0.000 |
77 |
|
[FAD]H:1208 |
5 |
1 |
1005 |
◊ |
A |
-y+1,x-y,z |
2_655 |
3 |
2 |
4947 |
36.5 |
0.4 |
0.570 |
0 |
0 |
0 |
0.000 |
Average: |
46.3 |
0.6 |
0.612 |
1 |
0 |
0 |
0.000 |
27 |
78 |
|
[PO4]H:2104 |
5 |
1 |
194 |
fx |
[PO4]H:2104 |
-y+1,x-y,z |
2_655 |
5 |
1 |
194 |
53.0 |
-4.8 |
0.942 |
0 |
0 |
0 |
0.151 |
28 |
79 |
|
[FAD]G:1207 |
5 |
1 |
1010 |
◊ |
G |
-y,x-y,z |
2_555 |
8 |
3 |
4981 |
49.7 |
1.1 |
0.697 |
2 |
0 |
0 |
0.000 |
80 |
|
[FAD]C:1203 |
5 |
1 |
1011 |
◊ |
C |
-y,x-y-1,z |
2_545 |
7 |
3 |
4978 |
49.0 |
1.0 |
0.693 |
2 |
0 |
0 |
0.000 |
Average: |
49.3 |
1.0 |
0.695 |
2 |
0 |
0 |
0.000 |
29 |
81 |
|
[PO4]E:2103 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
5116 |
49.4 |
-2.4 |
0.845 |
1 |
0 |
0 |
0.051 |
30 |
82 |
|
[PO4]A:2101 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
4947 |
49.1 |
-2.4 |
0.836 |
1 |
0 |
0 |
0.060 |
31 |
83 |
|
[PO4]E:2103 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
4865 |
47.4 |
-2.3 |
0.835 |
1 |
0 |
0 |
0.050 |
32 |
84 |
|
[PO4]A:2101 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
4876 |
47.2 |
-2.3 |
0.857 |
1 |
0 |
0 |
0.057 |
33 |
85 |
|
[PO4]A:2101 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
4978 |
47.1 |
-2.3 |
0.830 |
1 |
0 |
0 |
0.057 |
34 |
86 |
|
[PO4]E:2103 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
4981 |
46.4 |
-2.3 |
0.838 |
1 |
0 |
0 |
0.050 |
35 |
87 |
|
D |
4 |
2 |
5178 |
◊ |
[PO4]D:2102 |
-y+1,x-y,z |
2_655 |
4 |
1 |
192 |
34.1 |
-1.8 |
0.798 |
1 |
0 |
0 |
0.063 |
36 |
88 |
|
[PO4]D:2102 |
4 |
1 |
192 |
◊ |
D |
-y+1,x-y,z |
2_655 |
3 |
2 |
5178 |
33.4 |
-1.7 |
0.822 |
1 |
0 |
0 |
0.059 |
37 |
89 |
|
B |
3 |
1 |
4876 |
◊ |
E |
-y+1,x-y,z-1 |
2_654 |
4 |
1 |
5116 |
32.4 |
0.5 |
0.746 |
0 |
0 |
0 |
0.000 |
90 |
|
F |
5 |
1 |
4865 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4947 |
30.5 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
Average: |
31.5 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
38 |
91 |
|
[PO4]D:2102 |
4 |
1 |
192 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
5178 |
31.8 |
-1.7 |
0.807 |
0 |
0 |
0 |
0.049 |
39 |
92 |
|
H |
6 |
3 |
5176 |
◊ |
[PO4]H:2104 |
-y+1,x-y,z |
2_655 |
4 |
1 |
194 |
31.7 |
-1.4 |
0.783 |
1 |
0 |
0 |
0.059 |
40 |
93 |
|
H |
3 |
1 |
5176 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
4865 |
31.7 |
1.4 |
0.916 |
0 |
0 |
0 |
0.000 |
94 |
|
D |
3 |
1 |
5178 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4876 |
31.0 |
1.4 |
0.914 |
0 |
0 |
0 |
0.000 |
95 |
|
G |
3 |
1 |
4981 |
◊ |
E |
-y+1,x-y,z |
2_655 |
3 |
1 |
5116 |
30.8 |
1.2 |
0.907 |
0 |
0 |
0 |
0.000 |
96 |
|
C |
3 |
1 |
4978 |
◊ |
A |
-y+1,x-y,z |
2_655 |
4 |
1 |
4947 |
30.6 |
1.2 |
0.893 |
0 |
0 |
0 |
0.000 |
Average: |
31.0 |
1.3 |
0.908 |
0 |
0 |
0 |
0.000 |
41 |
97 |
|
[PO4]H:2104 |
4 |
1 |
194 |
◊ |
H |
-y+1,x-y,z |
2_655 |
3 |
2 |
5176 |
29.2 |
-1.1 |
0.856 |
1 |
0 |
0 |
0.050 |
42 |
98 |
|
[PO4]H:2104 |
4 |
1 |
194 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
5176 |
26.4 |
-1.2 |
0.812 |
1 |
0 |
0 |
0.052 |
43 |
99 |
|
F |
3 |
2 |
4865 |
x |
F |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
4865 |
25.5 |
1.5 |
0.912 |
0 |
0 |
0 |
0.000 |
100 |
|
B |
3 |
2 |
4876 |
x |
B |
-y,x-y,z |
2_555 |
2 |
1 |
4876 |
24.5 |
1.5 |
0.911 |
0 |
0 |
0 |
0.000 |
Average: |
25.0 |
1.5 |
0.911 |
0 |
0 |
0 |
0.000 |
44 |
101 |
|
E |
1 |
1 |
5116 |
◊ |
[PO4]G:2109 |
-y,x-y,z |
2_555 |
3 |
1 |
187 |
23.4 |
-1.5 |
0.300 |
0 |
0 |
0 |
0.000 |
45 |
102 |
|
G |
3 |
2 |
4981 |
◊ |
[PO4]G:2109 |
-y,x-y,z |
2_555 |
1 |
1 |
187 |
14.6 |
-0.7 |
0.708 |
0 |
0 |
0 |
0.000 |
46 |
103 |
|
F |
4 |
2 |
4865 |
◊ |
D |
-y+1,x-y,z+1 |
2_656 |
2 |
2 |
5178 |
14.0 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
104 |
|
H |
4 |
2 |
5176 |
◊ |
B |
-y+1,x-y,z |
2_655 |
2 |
2 |
4876 |
12.3 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
Average: |
13.2 |
0.3 |
0.709 |
0 |
0 |
0 |
0.000 |
47 |
105 |
|
C |
2 |
1 |
4978 |
◊ |
A |
-y,x-y-1,z |
2_545 |
2 |
1 |
4947 |
12.3 |
-0.3 |
0.441 |
0 |
0 |
0 |
0.000 |
106 |
|
G |
1 |
1 |
4981 |
◊ |
E |
-y,x-y,z |
2_555 |
1 |
1 |
5116 |
4.2 |
0.2 |
0.794 |
0 |
0 |
0 |
0.000 |
Average: |
8.2 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
48 |
107 |
|
G |
2 |
1 |
4981 |
x |
G |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
4981 |
11.9 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
108 |
|
C |
2 |
1 |
4978 |
x |
C |
-y,x-y,z |
2_555 |
3 |
1 |
4978 |
11.3 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
Average: |
11.6 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
49 |
109 |
|
[FAD]B:1202 |
1 |
1 |
1012 |
◊ |
B |
-y,x-y,z |
2_555 |
1 |
1 |
4876 |
0.4 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
50 |
110 |
|
E |
1 |
1 |
5116 |
◊ |
G |
-y,x-y,z |
2_555 |
1 |
1 |
4981 |
0.1 |
-0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
|