## |
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 |
|
C |
311 |
84 |
20070 |
◊ |
A |
x,y,z |
1_555 |
316 |
87 |
20120 |
3142.6 |
-39.2 |
0.044 |
30 |
27 |
0 |
0.204 |
2 |
|
D |
319 |
86 |
19957 |
◊ |
B |
x,y,z |
1_555 |
319 |
85 |
20150 |
3135.0 |
-39.1 |
0.046 |
29 |
26 |
0 |
0.204 |
Average: |
3138.8 |
-39.1 |
0.045 |
30 |
27 |
0 |
0.204 |
2 |
3 |
|
G |
114 |
34 |
10806 |
◊ |
F |
x,y,z |
1_555 |
116 |
32 |
11149 |
1231.7 |
-13.0 |
0.105 |
6 |
0 |
0 |
0.343 |
4 |
|
H |
111 |
31 |
11081 |
◊ |
E |
x,y,z |
1_555 |
110 |
31 |
10938 |
1188.6 |
-12.9 |
0.098 |
5 |
0 |
0 |
0.343 |
Average: |
1210.2 |
-12.9 |
0.102 |
6 |
0 |
0 |
0.343 |
3 |
5 |
|
E |
100 |
26 |
10938 |
◊ |
D |
x,y,z |
1_555 |
99 |
29 |
19957 |
872.1 |
-4.2 |
0.583 |
7 |
1 |
0 |
0.025 |
6 |
|
G |
96 |
25 |
10806 |
◊ |
A |
x,y,z |
1_555 |
97 |
29 |
20120 |
855.1 |
-2.8 |
0.650 |
9 |
3 |
0 |
0.025 |
Average: |
863.6 |
-3.5 |
0.617 |
8 |
2 |
0 |
0.025 |
4 |
7 |
|
F |
72 |
19 |
11149 |
◊ |
B |
x,y,z |
1_555 |
67 |
19 |
20150 |
622.5 |
-2.6 |
0.504 |
5 |
1 |
0 |
0.025 |
8 |
|
H |
68 |
17 |
11081 |
◊ |
C |
x,y,z |
1_555 |
56 |
17 |
20070 |
598.5 |
-2.3 |
0.480 |
5 |
0 |
0 |
0.025 |
Average: |
610.5 |
-2.5 |
0.492 |
5 |
1 |
0 |
0.025 |
5 |
9 |
|
C |
48 |
15 |
20070 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
42 |
12 |
20150 |
402.5 |
-0.4 |
0.752 |
11 |
1 |
0 |
0.000 |
6 |
10 |
|
F |
31 |
12 |
11149 |
◊ |
A |
x-1,y,z |
1_455 |
40 |
8 |
20120 |
353.0 |
-3.5 |
0.224 |
1 |
0 |
0 |
0.012 |
11 |
|
D |
40 |
9 |
19957 |
◊ |
H |
x-1,y,z |
1_455 |
34 |
13 |
11081 |
341.5 |
-3.5 |
0.253 |
0 |
0 |
0 |
0.012 |
Average: |
347.3 |
-3.5 |
0.238 |
1 |
0 |
0 |
0.012 |
7 |
12 |
|
C |
35 |
14 |
20070 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
35 |
13 |
19957 |
352.2 |
-3.1 |
0.387 |
2 |
3 |
0 |
0.000 |
13 |
|
B |
28 |
12 |
20150 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
24 |
9 |
20120 |
244.8 |
-1.9 |
0.490 |
2 |
3 |
0 |
0.000 |
Average: |
298.5 |
-2.5 |
0.438 |
2 |
3 |
0 |
0.000 |
8 |
14 |
|
H |
40 |
12 |
11081 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
19957 |
346.3 |
0.1 |
0.541 |
5 |
0 |
0 |
0.010 |
15 |
|
F |
38 |
12 |
11149 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
20120 |
335.9 |
-0.3 |
0.547 |
6 |
0 |
0 |
0.010 |
Average: |
341.1 |
-0.1 |
0.544 |
6 |
0 |
0 |
0.010 |
9 |
16 |
|
B |
44 |
14 |
20150 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
37 |
11 |
20070 |
341.1 |
0.4 |
0.784 |
7 |
1 |
0 |
0.000 |
10 |
17 |
|
B |
39 |
9 |
20150 |
◊ |
C |
x-1,y,z |
1_455 |
38 |
9 |
20070 |
293.5 |
-2.7 |
0.492 |
0 |
0 |
0 |
0.007 |
11 |
18 |
|
E |
28 |
11 |
10938 |
◊ |
C |
x,y,z |
1_555 |
31 |
10 |
20070 |
257.1 |
-0.2 |
0.553 |
1 |
1 |
0 |
0.006 |
19 |
|
G |
33 |
12 |
10806 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
20150 |
236.5 |
-0.7 |
0.501 |
1 |
2 |
0 |
0.006 |
Average: |
246.8 |
-0.4 |
0.527 |
1 |
2 |
0 |
0.006 |
12 |
20 |
|
G |
25 |
7 |
10806 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
9 |
20070 |
240.6 |
0.8 |
0.714 |
1 |
0 |
0 |
0.000 |
21 |
|
B |
28 |
8 |
20150 |
◊ |
E |
x-1,y,z |
1_455 |
22 |
8 |
10938 |
225.7 |
0.8 |
0.730 |
1 |
0 |
0 |
0.000 |
Average: |
233.2 |
0.8 |
0.722 |
1 |
0 |
0 |
0.000 |
13 |
22 |
|
C |
27 |
8 |
20070 |
◊ |
G |
-x+2,y-1/2,-z |
2_745 |
24 |
7 |
10806 |
237.3 |
-1.0 |
0.555 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[MPD]B:408 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
20150 |
176.8 |
-10.6 |
0.757 |
1 |
0 |
0 |
0.039 |
15 |
24 |
|
[MPD]C:406 |
7 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
33 |
13 |
20070 |
175.6 |
-11.5 |
0.799 |
2 |
0 |
0 |
0.094 |
16 |
25 |
|
[MPD]B:406 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
20150 |
174.0 |
-11.7 |
0.686 |
1 |
0 |
0 |
0.043 |
17 |
26 |
|
[MPD]A:406 |
7 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
20120 |
172.1 |
-13.8 |
0.537 |
2 |
0 |
0 |
0.053 |
18 |
27 |
|
[MPD]D:405 |
7 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
29 |
14 |
19957 |
171.6 |
-11.5 |
0.733 |
2 |
0 |
0 |
0.043 |
19 |
28 |
|
[MPD]A:407 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
20120 |
170.1 |
-11.6 |
0.749 |
2 |
0 |
0 |
0.045 |
20 |
29 |
|
B |
18 |
5 |
20150 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
6 |
10938 |
169.9 |
0.6 |
0.618 |
2 |
0 |
0 |
0.000 |
21 |
30 |
|
C |
16 |
6 |
20070 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
20150 |
159.9 |
-3.5 |
0.151 |
0 |
0 |
0 |
0.005 |
22 |
31 |
|
[MPD]B:407 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
20150 |
151.6 |
-7.6 |
0.877 |
1 |
0 |
0 |
0.028 |
23 |
32 |
|
[MPD]C:405 |
7 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
20070 |
145.0 |
-7.1 |
0.924 |
0 |
0 |
0 |
0.054 |
24 |
33 |
|
B |
17 |
5 |
20150 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
20120 |
144.1 |
-2.2 |
0.249 |
1 |
0 |
0 |
0.007 |
34 |
|
D |
12 |
4 |
19957 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
20070 |
118.2 |
-1.7 |
0.297 |
1 |
0 |
0 |
0.007 |
Average: |
131.1 |
-1.9 |
0.273 |
1 |
0 |
0 |
0.007 |
25 |
35 |
|
[MPD]E:304 |
7 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
19957 |
140.8 |
-6.7 |
0.937 |
1 |
0 |
0 |
0.025 |
36 |
|
[MPD]G:302 |
7 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20120 |
137.2 |
-6.2 |
0.940 |
0 |
0 |
0 |
0.025 |
Average: |
139.0 |
-6.4 |
0.939 |
1 |
0 |
0 |
0.025 |
26 |
37 |
|
[MPD]A:405 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
20120 |
137.1 |
-6.1 |
0.970 |
2 |
0 |
0 |
0.025 |
27 |
38 |
|
[SR]D:402 |
1 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
19957 |
122.6 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.235 |
39 |
|
[SR]A:401 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
20120 |
119.1 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.235 |
40 |
|
[SR]B:402 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
20150 |
117.2 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.235 |
41 |
|
[SR]C:403 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
20070 |
113.3 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.235 |
Average: |
118.0 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.235 |
28 |
42 |
|
[MPD]D:406 |
6 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
20 |
4 |
19957 |
109.8 |
-6.2 |
0.759 |
1 |
0 |
0 |
0.023 |
29 |
43 |
|
[SR]C:401 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
20070 |
104.4 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.173 |
30 |
44 |
|
[SR]A:402 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
20120 |
97.7 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.163 |
45 |
|
[SR]D:403 |
1 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
19957 |
93.3 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.163 |
46 |
|
[SR]C:402 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
20070 |
87.0 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.163 |
47 |
|
[SR]B:401 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
20150 |
85.0 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.163 |
Average: |
90.7 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.163 |
31 |
48 |
|
[SR]D:401 |
1 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
19957 |
85.2 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.067 |
32 |
49 |
|
[CL]F:301 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
11149 |
73.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.231 |
33 |
50 |
|
[CL]G:301 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
10806 |
72.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.426 |
51 |
|
[CL]H:301 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11081 |
72.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.426 |
52 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
10938 |
71.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.426 |
53 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
11149 |
69.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.426 |
Average: |
71.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.426 |
34 |
54 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20150 |
72.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.036 |
35 |
55 |
|
[CL]E:301 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
10938 |
71.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.299 |
56 |
|
[CL]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
11081 |
70.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.299 |
Average: |
70.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.299 |
36 |
57 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
19957 |
69.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.035 |
37 |
58 |
|
[CL]B:405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20150 |
69.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.034 |
38 |
59 |
|
[MPD]E:304 |
4 |
1 |
276 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
10938 |
64.5 |
-3.3 |
0.843 |
0 |
0 |
0 |
0.013 |
60 |
|
[MPD]G:302 |
4 |
1 |
272 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
10806 |
64.5 |
-3.4 |
0.000 |
1 |
0 |
0 |
0.013 |
Average: |
64.5 |
-3.3 |
0.421 |
1 |
0 |
0 |
0.013 |
39 |
61 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20120 |
63.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.031 |
40 |
62 |
|
D |
5 |
1 |
19957 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
19957 |
61.6 |
-0.4 |
0.519 |
0 |
0 |
0 |
0.000 |
63 |
|
A |
5 |
1 |
20120 |
x |
A |
-x+2,y-1/2,-z |
2_745 |
8 |
3 |
20120 |
48.0 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
Average: |
54.8 |
-0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
41 |
64 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
20070 |
57.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.059 |
42 |
65 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
10938 |
55.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.120 |
43 |
66 |
|
[MPD]C:405 |
2 |
1 |
272 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
11081 |
53.0 |
-2.3 |
0.821 |
0 |
0 |
0 |
0.006 |
44 |
67 |
|
D |
6 |
2 |
19957 |
◊ |
[SR]D:401 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
206 |
51.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
68 |
|
F |
6 |
4 |
11149 |
◊ |
H |
x-1,y,z-1 |
1_454 |
4 |
2 |
11081 |
51.6 |
-1.0 |
0.278 |
0 |
0 |
0 |
0.000 |
46 |
69 |
|
G |
5 |
3 |
10806 |
◊ |
[SR]C:401 |
x-1,y,z |
1_455 |
1 |
1 |
206 |
51.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.074 |
47 |
70 |
|
E |
8 |
3 |
10938 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20120 |
50.6 |
0.4 |
0.729 |
1 |
0 |
0 |
0.000 |
71 |
|
G |
6 |
3 |
10806 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
19957 |
41.8 |
0.5 |
0.731 |
1 |
0 |
0 |
0.000 |
Average: |
46.2 |
0.4 |
0.730 |
1 |
0 |
0 |
0.000 |
48 |
72 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20150 |
49.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.017 |
49 |
73 |
|
G |
4 |
2 |
10806 |
◊ |
E |
x,y,z-1 |
1_554 |
6 |
3 |
10938 |
48.1 |
-1.3 |
0.177 |
0 |
0 |
0 |
0.000 |
50 |
74 |
|
G |
11 |
4 |
10806 |
◊ |
[CL]C:404 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
45.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.039 |
51 |
75 |
|
[MPD]B:407 |
3 |
1 |
279 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
11149 |
43.8 |
-1.7 |
0.928 |
1 |
0 |
0 |
0.006 |
52 |
76 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20120 |
38.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.014 |
53 |
77 |
|
B |
3 |
1 |
20150 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
19957 |
34.6 |
0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
78 |
|
C |
1 |
1 |
20070 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
20120 |
15.8 |
0.4 |
0.829 |
1 |
0 |
0 |
0.000 |
Average: |
25.2 |
0.2 |
0.679 |
1 |
0 |
0 |
0.000 |
54 |
79 |
|
B |
7 |
4 |
20150 |
◊ |
[SR]C:402 |
x-1,y,z |
1_455 |
1 |
1 |
206 |
32.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.032 |
80 |
|
[SR]B:401 |
1 |
1 |
206 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
4 |
20070 |
29.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
30.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.032 |
55 |
81 |
|
H |
3 |
2 |
11081 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20150 |
31.0 |
-0.2 |
0.435 |
0 |
0 |
0 |
0.000 |
82 |
|
F |
3 |
2 |
11149 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20070 |
23.3 |
0.7 |
0.826 |
0 |
0 |
0 |
0.000 |
Average: |
27.1 |
0.2 |
0.631 |
0 |
0 |
0 |
0.001 |
56 |
83 |
|
[MPD]D:405 |
2 |
1 |
278 |
f |
[SR]D:402 |
x,y,z |
1_555 |
1 |
1 |
206 |
25.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.022 |
57 |
84 |
|
[CL]B:404 |
1 |
1 |
125 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
3 |
10938 |
23.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
58 |
85 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
11149 |
23.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.006 |
59 |
86 |
|
D |
3 |
2 |
19957 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
20120 |
21.8 |
-0.7 |
0.273 |
0 |
0 |
0 |
0.000 |
60 |
87 |
|
B |
2 |
1 |
20150 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
20120 |
20.3 |
0.2 |
0.316 |
0 |
0 |
0 |
0.000 |
88 |
|
D |
1 |
1 |
19957 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
20070 |
18.4 |
-0.5 |
0.208 |
0 |
0 |
0 |
0.000 |
Average: |
19.3 |
-0.2 |
0.262 |
0 |
0 |
0 |
0.001 |
61 |
89 |
|
[CL]E:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
11081 |
19.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.031 |
62 |
90 |
|
[MPD]C:406 |
3 |
1 |
279 |
f |
[SR]C:403 |
x,y,z |
1_555 |
1 |
1 |
206 |
18.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.035 |
63 |
91 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
11149 |
17.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
64 |
92 |
|
[MPD]A:407 |
3 |
1 |
278 |
f |
[SR]A:401 |
x,y,z |
1_555 |
1 |
1 |
206 |
17.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.016 |
65 |
93 |
|
[MPD]B:406 |
2 |
1 |
277 |
f |
[SR]B:402 |
x,y,z |
1_555 |
1 |
1 |
206 |
12.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.011 |
66 |
94 |
|
H |
2 |
1 |
11081 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
19957 |
11.0 |
0.4 |
0.819 |
0 |
0 |
0 |
0.000 |
67 |
95 |
|
G |
2 |
2 |
10806 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
19957 |
8.8 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
68 |
96 |
|
[MPD]B:408 |
1 |
1 |
281 |
f |
[SR]B:401 |
x,y,z |
1_555 |
1 |
1 |
206 |
7.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.006 |
69 |
97 |
|
F |
1 |
1 |
11149 |
◊ |
[CL]A:404 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
5.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
70 |
98 |
|
[MPD]D:406 |
1 |
1 |
279 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
11081 |
4.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
99 |
|
A |
1 |
1 |
20120 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
10938 |
3.3 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
72 |
100 |
|
H |
1 |
1 |
11081 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
20150 |
1.0 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
73 |
101 |
|
F |
1 |
1 |
11149 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
20120 |
0.6 |
0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
|