## |
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 |
|
B |
156 |
43 |
7765 |
◊ |
A |
x,y,z |
1_555 |
153 |
42 |
7608 |
1598.4 |
-17.9 |
0.461 |
11 |
6 |
0 |
0.177 |
2 |
2 |
|
D |
175 |
49 |
7458 |
◊ |
C |
x,y,z |
1_555 |
161 |
46 |
7377 |
1592.2 |
-25.8 |
0.496 |
14 |
7 |
0 |
1.000 |
3 |
|
F |
142 |
45 |
7110 |
◊ |
E |
x,y,z |
1_555 |
134 |
42 |
7146 |
1330.0 |
-21.3 |
0.650 |
7 |
2 |
0 |
1.000 |
Average: |
1461.1 |
-23.6 |
0.573 |
11 |
5 |
0 |
1.000 |
3 |
4 |
|
D |
33 |
7 |
7458 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
7765 |
282.1 |
-7.0 |
0.168 |
1 |
0 |
0 |
0.048 |
4 |
5 |
|
E |
24 |
6 |
7146 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
7765 |
248.7 |
-6.0 |
0.242 |
0 |
0 |
0 |
0.004 |
5 |
6 |
|
F |
23 |
4 |
7110 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
28 |
7 |
7377 |
246.2 |
-6.4 |
0.300 |
1 |
0 |
0 |
0.098 |
7 |
|
E |
29 |
7 |
7146 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
21 |
5 |
7458 |
238.0 |
-6.6 |
0.188 |
0 |
0 |
0 |
0.098 |
Average: |
242.1 |
-6.5 |
0.244 |
1 |
0 |
0 |
0.098 |
6 |
8 |
|
C |
28 |
7 |
7377 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
7608 |
227.7 |
-4.3 |
0.380 |
1 |
0 |
0 |
0.039 |
7 |
9 |
|
A |
28 |
7 |
7608 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
25 |
7 |
7608 |
179.9 |
1.1 |
0.836 |
3 |
3 |
0 |
0.000 |
8 |
10 |
|
[MPD]D:206 |
7 |
1 |
274 |
f |
C |
x,y,z |
1_555 |
28 |
9 |
7377 |
154.6 |
-9.7 |
0.860 |
1 |
0 |
0 |
0.100 |
9 |
11 |
|
[MPD]A:200 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
7608 |
146.4 |
-9.3 |
0.784 |
0 |
0 |
0 |
0.076 |
10 |
12 |
|
F |
16 |
7 |
7110 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
7765 |
139.0 |
-1.0 |
0.745 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[MRD]C:201 |
7 |
1 |
274 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
7458 |
134.7 |
0.3 |
0.418 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[MPD]C:200 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
7377 |
134.6 |
-8.6 |
0.774 |
0 |
0 |
0 |
0.084 |
13 |
15 |
|
[MRD]A:202 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
7608 |
132.4 |
-0.2 |
0.297 |
0 |
0 |
0 |
0.002 |
14 |
16 |
|
[MPD]A:203 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
7608 |
127.2 |
-7.9 |
0.803 |
1 |
0 |
0 |
0.068 |
15 |
17 |
|
[MRD]B:201 |
7 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
7608 |
120.0 |
0.8 |
0.422 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[MRD]A:134 |
6 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
7765 |
116.9 |
0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[MPD]D:207 |
4 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
7458 |
116.7 |
-7.6 |
0.797 |
0 |
0 |
0 |
0.104 |
18 |
20 |
|
[MPD]C:208 |
4 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
7377 |
115.0 |
-7.5 |
0.000 |
1 |
0 |
0 |
0.078 |
19 |
21 |
|
[MRD]E:200 |
7 |
1 |
276 |
f |
F |
x,y,z |
1_555 |
20 |
8 |
7110 |
114.6 |
-0.0 |
0.419 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[MRD]B:205 |
7 |
1 |
273 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
7765 |
112.6 |
0.8 |
0.389 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[MRD]E:201 |
7 |
1 |
276 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
7146 |
112.4 |
1.1 |
0.489 |
3 |
0 |
0 |
0.013 |
22 |
24 |
|
[MPD]B:200 |
6 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
7608 |
111.8 |
-7.5 |
0.389 |
0 |
0 |
0 |
0.062 |
23 |
25 |
|
D |
12 |
5 |
7458 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
7608 |
109.8 |
0.4 |
0.801 |
2 |
3 |
0 |
0.006 |
24 |
26 |
|
[MRD]C:201 |
5 |
1 |
274 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
7377 |
107.6 |
1.6 |
0.558 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[MPD]A:204 |
6 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
7608 |
106.4 |
-6.9 |
0.751 |
1 |
0 |
0 |
0.060 |
26 |
28 |
|
[MPD]B:203 |
4 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7765 |
103.5 |
-7.5 |
0.455 |
0 |
0 |
0 |
0.057 |
27 |
29 |
|
[MRD]E:200 |
5 |
1 |
276 |
◊ |
E |
x,y,z |
1_555 |
15 |
7 |
7146 |
102.0 |
0.6 |
0.464 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[MRD]A:133 |
6 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
7608 |
100.8 |
1.1 |
0.461 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[MRD]A:133 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7765 |
100.7 |
-0.7 |
0.183 |
0 |
0 |
0 |
0.005 |
30 |
32 |
|
[MPD]C:212 |
6 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
7377 |
98.0 |
-4.4 |
0.942 |
1 |
0 |
0 |
0.048 |
31 |
33 |
|
[MRD]C:203 |
5 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
7377 |
97.6 |
0.2 |
0.386 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[MPD]B:200 |
7 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
7765 |
96.9 |
-6.2 |
0.759 |
1 |
0 |
0 |
0.050 |
33 |
35 |
|
[MRD]C:203 |
6 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
7458 |
96.4 |
-0.7 |
0.221 |
0 |
0 |
0 |
0.007 |
34 |
36 |
|
F |
11 |
5 |
7110 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
7608 |
96.0 |
-2.4 |
0.429 |
1 |
0 |
0 |
0.002 |
35 |
37 |
|
[MPD]A:209 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7608 |
95.7 |
-5.4 |
0.598 |
0 |
0 |
0 |
0.044 |
36 |
38 |
|
[MPD]A:210 |
5 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7608 |
95.0 |
-5.3 |
0.838 |
0 |
0 |
0 |
0.044 |
37 |
39 |
|
A |
12 |
3 |
7608 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
3 |
7146 |
94.2 |
-0.1 |
0.664 |
2 |
0 |
0 |
0.000 |
38 |
40 |
|
[MRD]F:200 |
5 |
1 |
275 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
7110 |
93.4 |
0.4 |
0.487 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[MRD]E:203 |
4 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
7146 |
90.9 |
-0.3 |
0.356 |
0 |
0 |
0 |
0.252 |
40 |
42 |
|
[MRD]A:134 |
6 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7608 |
90.4 |
1.5 |
0.463 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[MRD]E:201 |
5 |
1 |
276 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
7110 |
89.7 |
-0.4 |
0.425 |
0 |
0 |
0 |
0.020 |
42 |
44 |
|
[MPD]D:201 |
4 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
7377 |
84.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.056 |
43 |
45 |
|
[PO4]B:213 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7765 |
81.4 |
-4.2 |
0.891 |
1 |
0 |
0 |
0.035 |
44 |
46 |
|
[MPD]A:201 |
5 |
1 |
276 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
6 |
7377 |
80.9 |
-4.4 |
0.876 |
0 |
0 |
0 |
0.036 |
45 |
47 |
|
[MRD]E:202 |
4 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
7146 |
79.3 |
-0.0 |
0.363 |
0 |
0 |
0 |
0.011 |
46 |
48 |
|
[MPD]B:133 |
4 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7765 |
79.1 |
-3.5 |
0.000 |
3 |
0 |
0 |
0.037 |
47 |
49 |
|
[MPD]A:201 |
5 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7608 |
77.4 |
-5.4 |
0.634 |
0 |
0 |
0 |
0.044 |
48 |
50 |
|
[MRD]F:204 |
4 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
20 |
4 |
7146 |
76.8 |
-0.4 |
0.399 |
0 |
0 |
0 |
0.348 |
49 |
51 |
|
[MRD]B:204 |
6 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7765 |
75.7 |
-0.2 |
0.300 |
0 |
0 |
0 |
0.002 |
50 |
52 |
|
[MPD]D:206 |
6 |
1 |
274 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
7458 |
75.4 |
-4.9 |
0.558 |
0 |
0 |
0 |
0.048 |
51 |
53 |
|
A |
12 |
5 |
7608 |
◊ |
[MRD]C:204 |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
1 |
278 |
74.3 |
0.8 |
0.386 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[MPD]A:206 |
3 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7608 |
72.7 |
-4.2 |
0.000 |
1 |
0 |
0 |
0.038 |
53 |
55 |
|
[MPD]C:200 |
5 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
7458 |
72.1 |
-4.9 |
0.629 |
0 |
0 |
0 |
0.048 |
54 |
56 |
|
[MPD]D:207 |
4 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7377 |
70.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.046 |
55 |
57 |
|
[MRD]E:202 |
4 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
6 |
6 |
7110 |
69.9 |
0.5 |
0.277 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[MPD]A:210 |
5 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
7765 |
68.2 |
-3.8 |
0.821 |
0 |
0 |
0 |
0.029 |
57 |
59 |
|
[MRD]B:201 |
7 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7765 |
66.9 |
0.7 |
0.399 |
2 |
0 |
0 |
0.001 |
58 |
60 |
|
[MPD]A:208 |
4 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
7608 |
64.8 |
-4.1 |
0.527 |
0 |
0 |
0 |
0.034 |
59 |
61 |
|
[PO4]B:213 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7608 |
62.8 |
-3.7 |
0.823 |
1 |
0 |
0 |
0.031 |
60 |
62 |
|
A |
5 |
2 |
7608 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
1 |
7146 |
62.6 |
0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[MRD]F:200 |
5 |
1 |
275 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
7146 |
59.8 |
0.9 |
0.338 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
A |
10 |
4 |
7608 |
◊ |
[MPD]C:212 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
278 |
59.4 |
-3.7 |
0.685 |
0 |
0 |
0 |
0.030 |
63 |
65 |
|
[MRD]A:207 |
5 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7608 |
57.7 |
1.5 |
0.423 |
2 |
0 |
0 |
0.000 |
64 |
66 |
|
[MPD]C:208 |
3 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
7458 |
56.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
65 |
67 |
|
[MPD]A:200 |
4 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7765 |
55.8 |
-3.7 |
0.423 |
0 |
0 |
0 |
0.028 |
66 |
68 |
|
[MRD]B:204 |
6 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
7608 |
55.4 |
0.9 |
0.412 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
[MPD]D:201 |
3 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
7458 |
54.4 |
-2.9 |
0.000 |
1 |
0 |
0 |
0.033 |
68 |
70 |
|
[MPD]A:206 |
4 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
7458 |
52.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.022 |
69 |
71 |
|
[MPD]A:209 |
3 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7765 |
52.4 |
-3.5 |
0.434 |
0 |
0 |
0 |
0.026 |
70 |
72 |
|
[MRD]F:204 |
3 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
7110 |
52.3 |
1.4 |
0.578 |
1 |
0 |
0 |
0.000 |
71 |
73 |
|
[MPD]A:208 |
4 |
1 |
275 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7377 |
49.9 |
-3.1 |
0.582 |
0 |
0 |
0 |
0.025 |
72 |
74 |
|
[MRD]C:202 |
6 |
1 |
276 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7458 |
49.0 |
0.7 |
0.372 |
0 |
0 |
0 |
0.000 |
73 |
75 |
|
[MPD]A:206 |
3 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7765 |
48.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.020 |
74 |
76 |
|
[MRD]C:204 |
4 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
7377 |
47.1 |
1.0 |
0.525 |
1 |
0 |
0 |
0.000 |
75 |
77 |
|
[MRD]B:205 |
3 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7608 |
44.9 |
-0.5 |
0.378 |
0 |
0 |
0 |
0.004 |
76 |
78 |
|
[MRD]B:205 |
5 |
1 |
273 |
f |
[MPD]A:209 |
x,y,z |
1_555 |
5 |
1 |
277 |
43.7 |
-1.6 |
0.444 |
0 |
0 |
0 |
0.013 |
77 |
79 |
|
F |
6 |
3 |
7110 |
◊ |
[MPD]D:201 |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
221 |
43.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.019 |
78 |
80 |
|
A |
6 |
1 |
7608 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
7377 |
41.8 |
-0.9 |
0.476 |
0 |
0 |
0 |
0.007 |
79 |
81 |
|
[MPD]A:204 |
3 |
1 |
276 |
◊ |
[MRD]C:204 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
278 |
40.8 |
-1.5 |
0.588 |
0 |
0 |
0 |
0.012 |
80 |
82 |
|
[MRD]B:204 |
5 |
1 |
277 |
◊ |
[MPD]A:209 |
x,y,z |
1_555 |
5 |
1 |
277 |
40.5 |
-0.8 |
0.611 |
0 |
0 |
0 |
0.006 |
81 |
83 |
|
[MPD]A:201 |
3 |
1 |
276 |
◊ |
[MPD]A:203 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
279 |
40.3 |
-3.9 |
0.997 |
0 |
0 |
0 |
0.000 |
82 |
84 |
|
B |
9 |
3 |
7765 |
◊ |
[MRD]C:204 |
x-1,y,z |
1_455 |
3 |
1 |
278 |
40.3 |
0.8 |
0.553 |
0 |
0 |
0 |
0.000 |
83 |
85 |
|
[MRD]F:200 |
4 |
1 |
275 |
f |
[MRD]E:200 |
x,y,z |
1_555 |
4 |
1 |
276 |
39.7 |
0.7 |
0.237 |
1 |
0 |
0 |
0.000 |
84 |
86 |
|
[MRD]F:204 |
3 |
1 |
219 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
3 |
7458 |
39.6 |
-0.4 |
0.336 |
0 |
0 |
0 |
0.003 |
85 |
87 |
|
[MRD]C:202 |
4 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
7377 |
38.1 |
-0.0 |
0.279 |
1 |
0 |
0 |
0.005 |
86 |
88 |
|
[MPD]A:203 |
3 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
7458 |
37.4 |
-1.6 |
0.941 |
0 |
0 |
0 |
0.010 |
87 |
89 |
|
[MRD]C:203 |
2 |
1 |
279 |
f |
[MPD]C:200 |
x,y,z |
1_555 |
4 |
1 |
278 |
36.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.015 |
88 |
90 |
|
[MRD]A:202 |
3 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7765 |
36.0 |
0.6 |
0.424 |
0 |
0 |
0 |
0.000 |
89 |
91 |
|
[MPD]A:204 |
3 |
1 |
276 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
7377 |
35.0 |
-2.3 |
0.605 |
0 |
0 |
0 |
0.019 |
90 |
92 |
|
[MRD]B:201 |
3 |
1 |
275 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
7377 |
34.7 |
-0.2 |
0.404 |
0 |
0 |
0 |
0.001 |
91 |
93 |
|
[MRD]C:204 |
2 |
1 |
278 |
f |
[MPD]C:212 |
x,y,z |
1_555 |
3 |
1 |
278 |
34.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
92 |
94 |
|
[MPD]B:203 |
2 |
1 |
221 |
◊ |
[MRD]B:205 |
x,y,z |
1_555 |
5 |
1 |
273 |
33.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
93 |
95 |
|
[MRD]A:202 |
5 |
1 |
277 |
f |
[MPD]A:209 |
x,y,z |
1_555 |
3 |
1 |
277 |
33.3 |
-0.9 |
0.488 |
1 |
0 |
0 |
0.011 |
94 |
96 |
|
A |
5 |
1 |
7608 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
7458 |
33.2 |
-0.6 |
0.514 |
0 |
0 |
0 |
0.002 |
95 |
97 |
|
[MPD]A:203 |
5 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
7377 |
32.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.017 |
96 |
98 |
|
B |
5 |
3 |
7765 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
2 |
7110 |
32.6 |
-0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
97 |
99 |
|
[MPD]A:204 |
3 |
1 |
276 |
f |
[MPD]A:200 |
x,y,z |
1_555 |
1 |
1 |
277 |
32.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.025 |
98 |
100 |
|
[MRD]F:204 |
3 |
1 |
219 |
◊ |
[MRD]E:201 |
x,y,z |
1_555 |
2 |
1 |
276 |
31.0 |
1.3 |
0.341 |
0 |
0 |
0 |
0.000 |
99 |
101 |
|
B |
2 |
1 |
7765 |
f |
[MRD]A:207 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
275 |
30.9 |
-0.5 |
0.220 |
0 |
0 |
0 |
0.004 |
100 |
102 |
|
F |
2 |
2 |
7110 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
7458 |
30.8 |
-0.9 |
0.284 |
0 |
0 |
0 |
0.000 |
101 |
103 |
|
[MRD]E:203 |
4 |
1 |
221 |
◊ |
F |
x,y,z |
1_555 |
3 |
3 |
7110 |
30.4 |
0.3 |
0.294 |
0 |
0 |
0 |
0.000 |
102 |
104 |
|
A |
5 |
2 |
7608 |
◊ |
[MPD]A:208 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
275 |
29.7 |
-1.6 |
0.769 |
0 |
0 |
0 |
0.000 |
103 |
105 |
|
[MPD]A:201 |
3 |
1 |
276 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
7608 |
29.4 |
-1.3 |
0.871 |
0 |
0 |
0 |
0.000 |
104 |
106 |
|
[MRD]B:204 |
3 |
1 |
277 |
◊ |
[MRD]A:202 |
x,y,z |
1_555 |
3 |
1 |
277 |
29.2 |
-0.0 |
0.252 |
0 |
0 |
0 |
0.000 |
105 |
107 |
|
[MPD]B:203 |
3 |
1 |
221 |
f |
[MRD]B:204 |
x,y,z |
1_555 |
3 |
1 |
277 |
28.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
106 |
108 |
|
[MPD]C:212 |
1 |
1 |
278 |
◊ |
[MPD]A:208 |
x,y,z |
1_555 |
4 |
1 |
275 |
27.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.022 |
107 |
109 |
|
B |
3 |
1 |
7765 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
2 |
7377 |
27.4 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
108 |
110 |
|
[MPD]D:201 |
3 |
1 |
221 |
f |
[MPD]C:208 |
x,y,z |
1_555 |
2 |
1 |
220 |
25.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.024 |
109 |
111 |
|
[MRD]E:202 |
3 |
1 |
219 |
◊ |
[MRD]E:201 |
x,y,z |
1_555 |
3 |
1 |
276 |
24.7 |
1.6 |
0.290 |
0 |
0 |
0 |
0.000 |
110 |
112 |
|
C |
3 |
1 |
7377 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7765 |
23.7 |
-0.8 |
0.337 |
0 |
0 |
0 |
0.003 |
111 |
113 |
|
[MRD]B:204 |
3 |
1 |
277 |
f |
[MRD]A:133 |
x,y,z |
1_555 |
2 |
1 |
274 |
21.8 |
0.5 |
0.324 |
0 |
0 |
0 |
0.000 |
112 |
114 |
|
[MRD]A:202 |
3 |
1 |
277 |
f |
[MPD]B:200 |
x,y,z |
1_555 |
5 |
1 |
279 |
20.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
113 |
115 |
|
[MRD]A:134 |
3 |
1 |
275 |
f |
[MRD]A:133 |
x,y,z |
1_555 |
4 |
1 |
274 |
20.7 |
0.7 |
0.266 |
0 |
0 |
0 |
0.000 |
114 |
116 |
|
[MPD]B:203 |
3 |
1 |
221 |
f |
[MRD]A:133 |
x,y,z |
1_555 |
4 |
1 |
274 |
20.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
115 |
117 |
|
[MPD]A:201 |
2 |
1 |
276 |
◊ |
[MPD]C:212 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
278 |
20.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
116 |
118 |
|
[MPD]B:200 |
2 |
1 |
279 |
f |
[MPD]A:209 |
x,y,z |
1_555 |
1 |
1 |
277 |
19.9 |
-1.9 |
0.836 |
0 |
0 |
0 |
0.016 |
117 |
119 |
|
E |
3 |
2 |
7146 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
7377 |
18.3 |
-0.4 |
0.317 |
0 |
0 |
0 |
0.000 |
118 |
120 |
|
[MPD]A:206 |
1 |
1 |
221 |
f |
[MRD]B:201 |
x,y,z |
1_555 |
2 |
1 |
275 |
17.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.008 |
119 |
121 |
|
[MRD]B:205 |
2 |
1 |
273 |
◊ |
[MRD]B:204 |
x,y,z |
1_555 |
2 |
1 |
277 |
17.6 |
0.8 |
0.365 |
0 |
0 |
0 |
0.000 |
120 |
122 |
|
A |
1 |
1 |
7608 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
7765 |
16.9 |
-0.1 |
0.382 |
0 |
0 |
0 |
0.000 |
121 |
123 |
|
C |
1 |
1 |
7377 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
7146 |
15.9 |
-0.4 |
0.297 |
0 |
0 |
0 |
0.000 |
122 |
124 |
|
[MPD]B:203 |
1 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7608 |
15.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
123 |
125 |
|
[MRD]A:207 |
2 |
1 |
275 |
◊ |
[MPD]A:204 |
x,y,z |
1_555 |
2 |
1 |
276 |
13.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
124 |
126 |
|
F |
3 |
1 |
7110 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
7458 |
13.0 |
0.3 |
0.833 |
0 |
0 |
0 |
0.000 |
125 |
127 |
|
[MRD]E:203 |
2 |
1 |
221 |
f |
[MRD]E:202 |
x,y,z |
1_555 |
2 |
1 |
219 |
11.9 |
0.5 |
0.438 |
0 |
0 |
0 |
0.000 |
126 |
128 |
|
[MRD]E:203 |
3 |
1 |
221 |
◊ |
[MRD]F:200 |
x,y,z |
1_555 |
2 |
1 |
275 |
10.6 |
0.3 |
0.258 |
0 |
0 |
0 |
0.000 |
127 |
129 |
|
F |
2 |
1 |
7110 |
◊ |
D |
-x+5/2,-y+1,z-1/2 |
2_764 |
3 |
1 |
7458 |
10.3 |
-0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
128 |
130 |
|
[MRD]F:204 |
1 |
1 |
219 |
f |
[MRD]E:202 |
x,y,z |
1_555 |
1 |
1 |
219 |
10.0 |
0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
129 |
131 |
|
[MRD]B:201 |
2 |
1 |
275 |
f |
[MPD]B:200 |
x,y,z |
1_555 |
1 |
1 |
279 |
9.1 |
-0.2 |
0.571 |
0 |
0 |
0 |
0.001 |
130 |
132 |
|
[MPD]A:206 |
1 |
1 |
221 |
f |
[MPD]A:203 |
x,y,z |
1_555 |
1 |
1 |
279 |
7.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
131 |
133 |
|
[MRD]B:201 |
1 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7458 |
7.6 |
0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
132 |
134 |
|
[MPD]A:204 |
1 |
1 |
276 |
◊ |
[MPD]C:212 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
278 |
6.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
133 |
135 |
|
B |
1 |
1 |
7765 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
7377 |
5.7 |
0.2 |
0.851 |
0 |
0 |
0 |
0.000 |
134 |
136 |
|
D |
1 |
1 |
7458 |
◊ |
C |
-x+2,y-1/2,-z+3/2 |
3_746 |
1 |
1 |
7377 |
5.3 |
-0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
135 |
137 |
|
B |
1 |
1 |
7765 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
7608 |
4.3 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
136 |
138 |
|
[PO4]B:213 |
1 |
1 |
188 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7608 |
4.1 |
-0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
137 |
139 |
|
[MPD]A:201 |
1 |
1 |
276 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7458 |
3.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
138 |
140 |
|
D |
1 |
1 |
7458 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7146 |
3.5 |
0.2 |
0.858 |
0 |
0 |
0 |
0.000 |
139 |
141 |
|
[MRD]A:207 |
1 |
1 |
275 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7110 |
0.8 |
0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
140 |
142 |
|
[MRD]A:207 |
1 |
1 |
275 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7458 |
0.7 |
0.1 |
0.478 |
0 |
0 |
0 |
0.000 |
141 |
143 |
|
A |
1 |
1 |
7608 |
◊ |
[MPD]A:203 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
279 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|