| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
0 |
835 |
147 |
365434 |
◊ |
B |
x,y,z |
1_555 |
751 |
165 |
18341 |
7178.0 |
-132.2 |
0.716 |
167 |
0 |
0 |
0.117 |
2 |
|
0 |
763 |
138 |
365434 |
◊ |
M |
x,y,z |
1_555 |
616 |
134 |
12396 |
6326.8 |
-119.6 |
0.594 |
143 |
0 |
0 |
0.195 |
3 |
|
0 |
734 |
117 |
365434 |
◊ |
A |
x,y,z |
1_555 |
612 |
132 |
14205 |
6131.8 |
-116.9 |
0.565 |
135 |
0 |
0 |
0.215 |
4 |
|
0 |
649 |
110 |
365434 |
◊ |
C |
x,y,z |
1_555 |
521 |
129 |
14374 |
5407.2 |
-88.8 |
0.697 |
107 |
0 |
0 |
0.100 |
5 |
|
0 |
484 |
97 |
365434 |
◊ |
P |
x,y,z |
1_555 |
391 |
92 |
10736 |
4229.8 |
-79.7 |
0.615 |
106 |
0 |
0 |
0.104 |
6 |
|
0 |
502 |
98 |
365434 |
◊ |
Y |
x,y,z |
1_555 |
381 |
88 |
10476 |
4064.7 |
-71.6 |
0.746 |
89 |
0 |
0 |
0.094 |
7 |
|
0 |
504 |
107 |
365434 |
◊ |
L |
x,y,z |
1_555 |
372 |
82 |
11388 |
4029.6 |
-68.0 |
0.547 |
93 |
0 |
0 |
0.098 |
8 |
|
0 |
387 |
71 |
365434 |
◊ |
R |
x,y,z |
1_555 |
325 |
79 |
8441 |
3095.4 |
-52.9 |
0.526 |
65 |
0 |
0 |
0.084 |
9 |
|
0 |
366 |
59 |
365434 |
◊ |
3 |
x,y,z |
1_555 |
314 |
68 |
7739 |
3065.2 |
-61.8 |
0.308 |
58 |
0 |
0 |
0.084 |
10 |
|
0 |
370 |
74 |
365434 |
◊ |
1 |
x,y,z |
1_555 |
263 |
54 |
4843 |
2821.1 |
-55.8 |
0.574 |
54 |
0 |
0 |
0.085 |
11 |
|
0 |
333 |
58 |
365434 |
◊ |
T |
x,y,z |
1_555 |
279 |
69 |
8073 |
2772.0 |
-41.0 |
0.811 |
56 |
0 |
0 |
0.076 |
12 |
|
0 |
313 |
56 |
365434 |
◊ |
H |
x,y,z |
1_555 |
269 |
61 |
9293 |
2642.0 |
-45.6 |
0.633 |
49 |
0 |
0 |
0.075 |
13 |
|
0 |
287 |
59 |
365434 |
◊ |
Q |
x,y,z |
1_555 |
244 |
58 |
6574 |
2441.9 |
-56.2 |
0.446 |
62 |
0 |
0 |
0.083 |
14 |
|
0 |
277 |
50 |
365434 |
◊ |
J |
x,y,z |
1_555 |
251 |
66 |
8464 |
2415.9 |
-34.3 |
0.714 |
48 |
0 |
0 |
0.064 |
15 |
|
0 |
330 |
53 |
365434 |
◊ |
2 |
x,y,z |
1_555 |
223 |
43 |
5152 |
2385.3 |
-31.7 |
0.596 |
30 |
0 |
0 |
0.064 |
16 |
|
9 |
276 |
43 |
19914 |
◊ |
N |
x,y,z |
1_555 |
239 |
62 |
10859 |
2267.3 |
-35.4 |
0.914 |
59 |
0 |
0 |
0.862 |
17 |
|
0 |
237 |
39 |
365434 |
◊ |
W |
x,y,z |
1_555 |
204 |
52 |
8137 |
2028.4 |
-39.0 |
0.330 |
37 |
0 |
0 |
0.067 |
18 |
|
0 |
231 |
45 |
365434 |
◊ |
K |
x,y,z |
1_555 |
194 |
49 |
7226 |
1919.3 |
-32.8 |
0.691 |
48 |
0 |
0 |
0.069 |
19 |
|
0 |
207 |
31 |
365434 |
◊ |
O |
x,y,z |
1_555 |
185 |
50 |
6501 |
1833.4 |
-25.7 |
0.727 |
44 |
0 |
0 |
0.061 |
20 |
|
0 |
205 |
40 |
365434 |
◊ |
X |
x,y,z |
1_555 |
165 |
39 |
5107 |
1677.4 |
-26.0 |
0.689 |
32 |
0 |
0 |
0.057 |
21 |
|
0 |
206 |
37 |
365434 |
◊ |
E |
x,y,z |
1_555 |
166 |
44 |
10203 |
1651.1 |
-24.4 |
0.359 |
23 |
0 |
0 |
0.049 |
22 |
|
9 |
138 |
20 |
19914 |
◊ |
D |
x,y,z |
1_555 |
126 |
34 |
9666 |
1267.0 |
-21.0 |
0.643 |
17 |
0 |
0 |
1.000 |
23 |
|
0 |
163 |
33 |
365434 |
◊ |
Z |
x,y,z |
1_555 |
114 |
31 |
5696 |
1236.6 |
-12.4 |
0.771 |
23 |
0 |
0 |
0.032 |
24 |
|
0 |
124 |
19 |
365434 |
◊ |
N |
x,y,z |
1_555 |
114 |
29 |
10859 |
1109.6 |
-8.7 |
0.319 |
13 |
0 |
0 |
0.017 |
25 |
|
0 |
118 |
20 |
365434 |
◊ |
D |
x,y,z |
1_555 |
121 |
41 |
9666 |
1091.6 |
-11.0 |
0.909 |
15 |
0 |
0 |
0.025 |
26 |
|
9 |
123 |
23 |
19914 |
◊ |
0 |
x,y,z |
1_555 |
141 |
34 |
365434 |
1047.3 |
-26.0 |
0.957 |
12 |
0 |
0 |
0.044 |
27 |
|
Z |
110 |
32 |
5696 |
◊ |
A |
x,y,z |
1_555 |
114 |
36 |
14205 |
1040.2 |
-14.3 |
0.017 |
17 |
3 |
0 |
0.027 |
28 |
|
0 |
115 |
21 |
365434 |
◊ |
V |
x,y,z |
1_555 |
104 |
28 |
4573 |
996.3 |
-13.8 |
0.768 |
22 |
0 |
0 |
0.033 |
29 |
|
0 |
127 |
29 |
365434 |
◊ |
S |
x,y,z |
1_555 |
103 |
31 |
5184 |
992.4 |
-19.0 |
0.699 |
25 |
0 |
0 |
0.043 |
30 |
|
0 |
107 |
18 |
365434 |
◊ |
I |
x,y,z |
1_555 |
108 |
30 |
4410 |
943.8 |
-19.3 |
0.604 |
12 |
0 |
0 |
0.035 |
31 |
|
4 |
75 |
6 |
1500 |
◊ |
0 |
x,y,z |
1_555 |
107 |
24 |
365434 |
780.4 |
-9.1 |
0.707 |
13 |
0 |
0 |
0.021 |
32 |
|
M |
75 |
21 |
12396 |
◊ |
F |
x,y,z |
1_555 |
68 |
18 |
6257 |
699.4 |
-9.2 |
0.031 |
8 |
4 |
0 |
0.014 |
33 |
|
0 |
86 |
15 |
365434 |
◊ |
U |
x,y,z |
1_555 |
67 |
18 |
3908 |
672.2 |
-8.8 |
0.819 |
10 |
0 |
0 |
0.014 |
34 |
|
0 |
69 |
10 |
365434 |
◊ |
F |
x,y,z |
1_555 |
55 |
20 |
6257 |
608.7 |
-12.9 |
0.467 |
16 |
0 |
0 |
0.024 |
35 |
|
9 |
70 |
11 |
19914 |
◊ |
W |
x,y,z |
1_555 |
51 |
17 |
8137 |
546.0 |
-7.7 |
0.719 |
8 |
0 |
0 |
0.014 |
36 |
|
Q |
51 |
13 |
6574 |
◊ |
N |
x,y,z |
1_555 |
67 |
17 |
10859 |
514.8 |
-8.1 |
0.067 |
3 |
0 |
0 |
0.000 |
37 |
|
U |
48 |
14 |
3908 |
◊ |
K |
x,y,z |
1_555 |
50 |
16 |
7226 |
511.8 |
-7.8 |
0.062 |
6 |
1 |
0 |
0.000 |
38 |
|
0 |
52 |
9 |
365434 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
2747 |
471.7 |
-6.7 |
0.741 |
8 |
0 |
0 |
0.000 |
39 |
|
V |
36 |
10 |
4573 |
◊ |
S |
x,y,z |
1_555 |
42 |
10 |
5184 |
335.4 |
-4.3 |
0.172 |
1 |
1 |
0 |
0.007 |
40 |
|
[1MA]0:628 |
23 |
1 |
502 |
cf |
0 |
x,y,z |
1_555 |
49 |
10 |
365434 |
330.1 |
-1.8 |
0.767 |
5 |
0 |
0 |
0.006 |
41 |
|
K |
32 |
11 |
7226 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
31 |
11 |
7226 |
290.7 |
-0.4 |
0.448 |
2 |
2 |
0 |
0.000 |
42 |
|
[UR3]0:2619 |
21 |
1 |
442 |
cf |
0 |
x,y,z |
1_555 |
41 |
8 |
365434 |
283.1 |
-2.9 |
0.805 |
0 |
0 |
0 |
0.004 |
43 |
|
[OMU]0:2587 |
20 |
1 |
458 |
cf |
0 |
x,y,z |
1_555 |
49 |
11 |
365434 |
279.6 |
-0.7 |
0.844 |
1 |
0 |
0 |
0.002 |
44 |
|
[OMG]0:2588 |
24 |
1 |
511 |
cf |
0 |
x,y,z |
1_555 |
46 |
7 |
365434 |
277.8 |
-3.0 |
0.772 |
2 |
0 |
0 |
0.005 |
45 |
|
K |
27 |
10 |
7226 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
18341 |
276.1 |
-1.6 |
0.328 |
2 |
0 |
0 |
0.000 |
46 |
|
J |
28 |
6 |
8464 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
10203 |
275.6 |
-3.6 |
0.105 |
2 |
0 |
0 |
0.005 |
47 |
|
2 |
28 |
7 |
5152 |
◊ |
S |
x,y,z |
1_555 |
33 |
9 |
5184 |
262.8 |
-2.9 |
0.201 |
2 |
2 |
0 |
0.006 |
48 |
|
[5AA]4:76 |
22 |
1 |
516 |
◊ |
0 |
x,y,z |
1_555 |
39 |
10 |
365434 |
255.4 |
1.8 |
0.538 |
4 |
0 |
0 |
0.000 |
49 |
|
9 |
35 |
7 |
19914 |
◊ |
Q |
x,y,z |
1_555 |
26 |
6 |
6574 |
255.0 |
-2.5 |
0.790 |
5 |
0 |
0 |
0.000 |
50 |
|
[PSU]0:2621 |
19 |
1 |
427 |
cf |
0 |
x,y,z |
1_555 |
40 |
7 |
365434 |
252.3 |
-2.3 |
0.723 |
3 |
0 |
0 |
0.005 |
51 |
|
J |
27 |
10 |
8464 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
18341 |
230.1 |
0.8 |
0.551 |
6 |
1 |
0 |
0.000 |
52 |
|
N |
31 |
8 |
10859 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9666 |
215.2 |
0.6 |
0.642 |
2 |
0 |
0 |
0.000 |
53 |
|
O |
16 |
4 |
6501 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14374 |
174.6 |
-1.4 |
0.250 |
0 |
0 |
0 |
0.000 |
54 |
|
U |
15 |
4 |
3908 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
18341 |
173.9 |
-1.5 |
0.325 |
5 |
0 |
0 |
0.000 |
55 |
|
2 |
20 |
5 |
5152 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4843 |
171.0 |
-2.4 |
0.234 |
0 |
0 |
0 |
0.003 |
56 |
|
9 |
26 |
3 |
19914 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
2 |
365434 |
164.7 |
0.3 |
0.935 |
0 |
0 |
0 |
0.000 |
57 |
|
[5AA]4:76 |
22 |
1 |
516 |
cf |
4 |
x,y,z |
1_555 |
19 |
2 |
1500 |
162.1 |
1.3 |
0.452 |
0 |
0 |
0 |
0.000 |
58 |
|
3 |
14 |
4 |
7739 |
◊ |
M |
x,y,z |
1_555 |
22 |
6 |
12396 |
160.8 |
-2.5 |
0.140 |
1 |
0 |
0 |
0.002 |
59 |
|
1 |
15 |
4 |
4843 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
14374 |
158.4 |
-0.9 |
0.401 |
2 |
3 |
0 |
0.002 |
60 |
|
0 |
21 |
6 |
365434 |
◊ |
V |
x,-y+1,-z |
4_565 |
14 |
6 |
4573 |
154.1 |
-3.1 |
0.422 |
1 |
0 |
0 |
0.000 |
61 |
|
0 |
15 |
2 |
365434 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
20 |
4 |
365434 |
142.9 |
-5.3 |
0.515 |
1 |
0 |
0 |
0.000 |
62 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
23 |
11 |
365434 |
130.3 |
-88.6 |
0.000 |
0 |
0 |
0 |
0.125 |
63 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
15 |
8 |
365434 |
120.8 |
-103.3 |
0.000 |
0 |
0 |
0 |
0.146 |
64 |
|
O |
16 |
6 |
6501 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11388 |
119.4 |
0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
65 |
|
0 |
18 |
3 |
365434 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
18 |
3 |
365434 |
108.1 |
0.9 |
0.934 |
2 |
0 |
0 |
0.000 |
66 |
|
[K]0:9003 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
15 |
4 |
365434 |
105.8 |
-57.9 |
0.000 |
0 |
0 |
0 |
0.082 |
67 |
|
N |
12 |
5 |
10859 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
365434 |
101.5 |
-2.1 |
0.475 |
0 |
0 |
0 |
0.000 |
68 |
|
9 |
14 |
4 |
19914 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
9293 |
98.0 |
0.0 |
0.732 |
2 |
0 |
0 |
0.000 |
69 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
20 |
7 |
365434 |
90.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.016 |
70 |
|
[OMG]0:2588 |
14 |
1 |
511 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
12 |
1 |
458 |
88.6 |
-0.6 |
0.522 |
0 |
0 |
0 |
0.000 |
71 |
|
T |
17 |
5 |
8073 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14374 |
85.4 |
-1.1 |
0.296 |
0 |
0 |
0 |
0.000 |
72 |
|
[5AA]4:76 |
14 |
1 |
516 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
13 |
1 |
442 |
79.5 |
1.4 |
0.534 |
0 |
0 |
0 |
0.000 |
73 |
|
0 |
14 |
5 |
365434 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
9 |
4 |
10203 |
77.9 |
-0.4 |
0.721 |
0 |
0 |
0 |
0.000 |
74 |
|
[PO2]4:177 |
3 |
1 |
162 |
◊ |
0 |
x,y,z |
1_555 |
18 |
7 |
365434 |
77.9 |
1.4 |
0.523 |
0 |
0 |
0 |
0.000 |
75 |
|
[K]0:9003 |
1 |
1 |
216 |
◊ |
4 |
x,y,z |
1_555 |
10 |
2 |
1500 |
75.9 |
-44.7 |
0.000 |
0 |
0 |
0 |
0.063 |
76 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
9 |
4 |
8441 |
74.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.100 |
77 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7739 |
70.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.100 |
78 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
8 |
12396 |
68.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
79 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
18 |
7 |
6501 |
68.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.049 |
80 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
6 |
365434 |
66.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.014 |
81 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
4 |
365434 |
66.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.013 |
82 |
|
[1MA]0:628 |
8 |
1 |
502 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10476 |
64.7 |
-2.3 |
0.189 |
0 |
0 |
0 |
0.002 |
83 |
|
[OMG]0:2588 |
5 |
1 |
511 |
◊ |
4 |
x,y,z |
1_555 |
6 |
2 |
1500 |
64.4 |
0.8 |
0.621 |
3 |
0 |
0 |
0.000 |
84 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8464 |
63.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.038 |
85 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
365434 |
62.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.013 |
86 |
|
[CL]0:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
5 |
365434 |
62.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.009 |
87 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
8464 |
61.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.032 |
88 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
10 |
4 |
10859 |
61.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.123 |
89 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11388 |
60.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.044 |
90 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
11 |
4 |
6501 |
60.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.051 |
91 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11388 |
60.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.056 |
92 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14205 |
59.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
93 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
5 |
365434 |
58.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.011 |
94 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18341 |
58.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
95 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
6 |
6574 |
57.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
96 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
8464 |
56.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.030 |
97 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
8 |
3 |
10476 |
55.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.005 |
98 |
|
Y |
7 |
1 |
10476 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
11388 |
55.8 |
0.7 |
0.642 |
0 |
0 |
0 |
0.000 |
99 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
8464 |
53.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.006 |
100 |
|
9 |
7 |
2 |
19914 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
18341 |
52.5 |
0.8 |
0.792 |
2 |
0 |
0 |
0.000 |
101 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
365434 |
52.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.009 |
102 |
|
W |
6 |
1 |
8137 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
10 |
1 |
365434 |
51.2 |
-0.8 |
0.304 |
0 |
0 |
0 |
0.000 |
103 |
|
[CL]K:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
7226 |
50.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.100 |
104 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
365434 |
49.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.009 |
105 |
|
[PO2]4:177 |
3 |
1 |
162 |
cf |
4 |
x,y,z |
1_555 |
8 |
2 |
1500 |
49.4 |
0.9 |
0.393 |
0 |
0 |
0 |
0.000 |
106 |
|
[CL]K:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
11 |
4 |
365434 |
48.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.007 |
107 |
|
[5AA]4:76 |
5 |
1 |
516 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
6 |
1 |
511 |
48.0 |
2.0 |
0.627 |
0 |
0 |
0 |
0.000 |
108 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
365434 |
44.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.005 |
109 |
|
[CL]0:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10476 |
43.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.004 |
110 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
6 |
1 |
12396 |
43.4 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.025 |
111 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
2 |
365434 |
43.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.006 |
112 |
|
D |
6 |
1 |
9666 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18341 |
39.9 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
113 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
3 |
365434 |
39.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
114 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365434 |
37.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.004 |
115 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
365434 |
37.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.004 |
116 |
|
3 |
4 |
1 |
7739 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11388 |
30.1 |
0.8 |
0.523 |
0 |
0 |
0 |
0.000 |
117 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9666 |
28.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.003 |
118 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5152 |
28.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.005 |
119 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365434 |
27.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
120 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10203 |
26.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
121 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
365434 |
21.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
122 |
|
[PO2]4:177 |
2 |
1 |
162 |
f |
[5AA]4:76 |
x,y,z |
1_555 |
3 |
1 |
516 |
17.4 |
0.5 |
0.624 |
1 |
0 |
0 |
0.000 |
123 |
|
[PO2]4:177 |
2 |
1 |
162 |
◊ |
[K]0:9003 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.012 |
124 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
8137 |
14.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
125 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10476 |
11.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
2 |
365434 |
11.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
127 |
|
0 |
2 |
2 |
365434 |
◊ |
F |
x,-y+1,-z |
4_565 |
2 |
1 |
6257 |
10.8 |
-0.8 |
0.329 |
0 |
0 |
0 |
0.000 |
128 |
|
G |
1 |
1 |
2747 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
365434 |
7.4 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
129 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19914 |
7.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
130 |
|
[CL]0:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
131 |
|
M |
1 |
1 |
12396 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14205 |
6.5 |
0.2 |
0.498 |
0 |
0 |
0 |
0.000 |
132 |
|
[UR3]0:2619 |
2 |
1 |
442 |
◊ |
4 |
x,y,z |
1_555 |
3 |
2 |
1500 |
5.2 |
-0.4 |
0.463 |
0 |
0 |
0 |
0.000 |
133 |
|
[PO2]4:177 |
1 |
1 |
162 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
2 |
1 |
442 |
4.2 |
-0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
134 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365434 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
135 |
|
[CD]O:9205 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365434 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|