| ## |
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 |
|
A |
363 |
74 |
211813 |
◊ |
L |
x,y,z |
1_555 |
290 |
75 |
9377 |
3088.2 |
-60.5 |
0.784 |
68 |
0 |
0 |
0.062 |
2 |
|
A |
362 |
61 |
211813 |
◊ |
D |
x,y,z |
1_555 |
304 |
80 |
12052 |
3047.3 |
-54.3 |
0.766 |
84 |
0 |
0 |
0.061 |
3 |
|
A |
324 |
61 |
211813 |
◊ |
I |
x,y,z |
1_555 |
250 |
61 |
8414 |
2819.6 |
-50.8 |
0.798 |
60 |
0 |
0 |
0.055 |
4 |
|
A |
324 |
59 |
211813 |
◊ |
Q |
x,y,z |
1_555 |
248 |
58 |
7748 |
2627.0 |
-49.0 |
0.701 |
49 |
0 |
0 |
0.052 |
5 |
|
A |
303 |
62 |
211813 |
◊ |
T |
x,y,z |
1_555 |
247 |
63 |
7208 |
2574.2 |
-54.5 |
0.611 |
50 |
0 |
0 |
0.056 |
6 |
|
A |
297 |
54 |
211813 |
◊ |
P |
x,y,z |
1_555 |
242 |
56 |
5681 |
2544.5 |
-43.2 |
0.698 |
45 |
0 |
0 |
0.049 |
7 |
|
A |
218 |
37 |
211813 |
◊ |
M |
x,y,z |
1_555 |
193 |
51 |
8308 |
1976.3 |
-47.5 |
0.465 |
46 |
0 |
0 |
0.051 |
8 |
|
A |
238 |
41 |
211813 |
◊ |
E |
x,y,z |
1_555 |
183 |
53 |
8407 |
1938.7 |
-39.2 |
0.558 |
38 |
0 |
0 |
0.044 |
9 |
|
A |
250 |
46 |
211813 |
◊ |
N |
x,y,z |
1_555 |
167 |
37 |
5685 |
1880.8 |
-32.1 |
0.852 |
45 |
0 |
0 |
0.043 |
10 |
|
A |
236 |
43 |
211813 |
◊ |
G |
x,y,z |
1_555 |
174 |
45 |
10275 |
1865.1 |
-25.9 |
0.895 |
41 |
0 |
0 |
0.038 |
11 |
|
A |
224 |
41 |
211813 |
◊ |
K |
x,y,z |
1_555 |
178 |
43 |
7290 |
1841.2 |
-34.5 |
0.745 |
32 |
0 |
0 |
0.040 |
12 |
|
A |
241 |
45 |
211813 |
◊ |
J |
x,y,z |
1_555 |
176 |
43 |
7562 |
1836.3 |
-30.9 |
0.906 |
26 |
0 |
0 |
0.036 |
13 |
|
A |
236 |
42 |
211813 |
◊ |
H |
x,y,z |
1_555 |
189 |
49 |
8327 |
1816.5 |
-31.6 |
0.348 |
27 |
0 |
0 |
0.037 |
14 |
|
A |
209 |
40 |
211813 |
◊ |
O |
x,y,z |
1_555 |
178 |
45 |
6352 |
1739.5 |
-35.1 |
0.664 |
33 |
0 |
0 |
0.040 |
15 |
|
A |
199 |
38 |
211813 |
◊ |
C |
x,y,z |
1_555 |
168 |
44 |
11825 |
1675.6 |
-28.5 |
0.760 |
28 |
0 |
0 |
0.035 |
16 |
|
A |
217 |
39 |
211813 |
◊ |
S |
x,y,z |
1_555 |
157 |
28 |
6174 |
1657.1 |
-25.6 |
0.833 |
37 |
0 |
0 |
0.036 |
17 |
|
A |
147 |
34 |
211813 |
◊ |
U |
x,y,z |
1_555 |
122 |
22 |
2366 |
1292.4 |
-30.4 |
0.355 |
34 |
0 |
0 |
0.038 |
18 |
|
A |
145 |
27 |
211813 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
2_545 |
161 |
28 |
211813 |
1127.8 |
-30.4 |
0.938 |
10 |
0 |
0 |
0.000 |
19 |
|
R |
112 |
26 |
5516 |
◊ |
F |
x,y,z |
1_555 |
101 |
25 |
7061 |
1018.6 |
-7.4 |
0.160 |
16 |
1 |
0 |
0.012 |
20 |
|
A |
121 |
26 |
211813 |
◊ |
B |
x,y,z |
1_555 |
97 |
32 |
12402 |
1005.6 |
-12.9 |
0.856 |
17 |
0 |
0 |
0.017 |
21 |
|
A |
100 |
20 |
211813 |
◊ |
R |
x,y,z |
1_555 |
82 |
19 |
5516 |
884.2 |
-21.0 |
0.460 |
22 |
0 |
0 |
0.026 |
22 |
|
N |
78 |
20 |
5685 |
◊ |
C |
x,y,z |
1_555 |
98 |
25 |
11825 |
815.7 |
-9.9 |
0.147 |
6 |
0 |
0 |
0.010 |
23 |
|
N |
86 |
18 |
5685 |
◊ |
J |
x,y,z |
1_555 |
90 |
19 |
7562 |
770.5 |
-9.0 |
0.254 |
8 |
2 |
0 |
0.011 |
24 |
|
H |
58 |
19 |
8327 |
◊ |
E |
x,y,z |
1_555 |
56 |
14 |
8407 |
559.4 |
-2.5 |
0.392 |
5 |
3 |
0 |
0.004 |
25 |
|
A |
66 |
12 |
211813 |
◊ |
F |
x,y,z |
1_555 |
64 |
19 |
7061 |
534.0 |
-7.5 |
0.743 |
10 |
0 |
0 |
0.010 |
26 |
|
B |
43 |
16 |
12402 |
◊ |
B |
y,x,-z |
6_555 |
44 |
16 |
12402 |
488.6 |
5.9 |
0.923 |
6 |
4 |
0 |
0.000 |
27 |
|
S |
49 |
15 |
6174 |
◊ |
M |
x,y,z |
1_555 |
46 |
13 |
8308 |
428.2 |
-1.5 |
0.545 |
3 |
0 |
0 |
0.002 |
28 |
|
J |
42 |
15 |
7562 |
◊ |
C |
x,y,z |
1_555 |
50 |
14 |
11825 |
420.0 |
-3.2 |
0.387 |
1 |
0 |
0 |
0.003 |
29 |
|
[TOY]A:1738 |
27 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
48 |
11 |
211813 |
351.9 |
-8.9 |
0.697 |
7 |
0 |
0 |
0.010 |
30 |
|
E |
35 |
12 |
8407 |
◊ |
D |
x,y,z |
1_555 |
33 |
11 |
12052 |
347.0 |
-0.6 |
0.427 |
3 |
3 |
0 |
0.002 |
31 |
|
[4OC]A:1402 |
22 |
1 |
493 |
cf |
A |
x,y,z |
1_555 |
57 |
12 |
211813 |
344.8 |
2.0 |
0.807 |
3 |
0 |
0 |
0.000 |
32 |
|
H |
43 |
12 |
8327 |
◊ |
D |
y,x,-z |
6_555 |
31 |
13 |
12052 |
341.7 |
6.9 |
0.827 |
6 |
5 |
0 |
0.000 |
33 |
|
E |
38 |
15 |
8407 |
◊ |
E |
y,x,-z |
6_555 |
38 |
15 |
8407 |
336.7 |
5.3 |
0.910 |
4 |
0 |
0 |
0.000 |
34 |
|
R |
35 |
8 |
5516 |
◊ |
K |
x,y,z |
1_555 |
40 |
12 |
7290 |
331.7 |
-0.5 |
0.577 |
4 |
2 |
0 |
0.002 |
35 |
|
A |
37 |
8 |
211813 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
2_545 |
38 |
12 |
8308 |
313.3 |
-4.9 |
0.602 |
2 |
0 |
0 |
0.000 |
36 |
|
[UR3]A:1498 |
21 |
1 |
448 |
cf |
A |
x,y,z |
1_555 |
46 |
11 |
211813 |
312.2 |
-2.3 |
0.736 |
4 |
0 |
0 |
0.004 |
37 |
|
[2MG]A:1207 |
24 |
1 |
516 |
cf |
A |
x,y,z |
1_555 |
50 |
7 |
211813 |
311.7 |
4.1 |
0.929 |
3 |
0 |
0 |
0.000 |
38 |
|
[MA6]A:1518 |
24 |
1 |
504 |
cf |
A |
x,y,z |
1_555 |
48 |
8 |
211813 |
299.0 |
2.2 |
0.636 |
1 |
0 |
0 |
0.000 |
39 |
|
[MA6]A:1519 |
24 |
1 |
507 |
cf |
A |
x,y,z |
1_555 |
49 |
8 |
211813 |
295.4 |
2.1 |
0.639 |
1 |
0 |
0 |
0.000 |
40 |
|
[7MG]A:527 |
24 |
1 |
516 |
cf |
A |
x,y,z |
1_555 |
49 |
10 |
211813 |
281.5 |
3.0 |
0.869 |
4 |
0 |
0 |
0.000 |
41 |
|
[5MC]A:1404 |
21 |
1 |
438 |
cf |
A |
x,y,z |
1_555 |
38 |
6 |
211813 |
264.0 |
1.1 |
0.857 |
4 |
0 |
0 |
0.000 |
42 |
|
[PSU]A:516 |
20 |
1 |
426 |
cf |
A |
x,y,z |
1_555 |
44 |
7 |
211813 |
259.4 |
0.2 |
0.819 |
2 |
0 |
0 |
0.000 |
43 |
|
H |
25 |
8 |
8327 |
◊ |
B |
x,y,z |
1_555 |
35 |
9 |
12402 |
258.9 |
-0.3 |
0.496 |
5 |
2 |
0 |
0.002 |
44 |
|
[5MC]A:1407 |
21 |
1 |
449 |
cf |
A |
x,y,z |
1_555 |
32 |
5 |
211813 |
245.1 |
1.2 |
0.906 |
4 |
0 |
0 |
0.000 |
45 |
|
I |
21 |
8 |
8414 |
◊ |
G |
x,y,z |
1_555 |
26 |
7 |
10275 |
232.0 |
-4.6 |
0.078 |
1 |
0 |
0 |
0.003 |
46 |
|
[PSU]A:1540 |
18 |
1 |
425 |
cf |
A |
x,y,z |
1_555 |
33 |
8 |
211813 |
224.2 |
-3.8 |
0.689 |
0 |
0 |
0 |
0.003 |
47 |
|
J |
20 |
5 |
7562 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
21 |
5 |
7562 |
211.5 |
3.2 |
0.888 |
2 |
2 |
0 |
0.000 |
48 |
|
Q |
22 |
5 |
7748 |
◊ |
L |
x,y,z |
1_555 |
21 |
6 |
9377 |
206.1 |
-3.3 |
0.200 |
1 |
0 |
0 |
0.003 |
49 |
|
K |
23 |
8 |
7290 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
3 |
211813 |
197.6 |
-1.3 |
0.737 |
1 |
0 |
0 |
0.000 |
50 |
|
K |
24 |
7 |
7290 |
◊ |
G |
x,y,z |
1_555 |
22 |
5 |
10275 |
193.9 |
-1.8 |
0.364 |
0 |
0 |
0 |
0.001 |
51 |
|
[5MC]A:967 |
15 |
1 |
457 |
cf |
A |
x,y,z |
1_555 |
24 |
4 |
211813 |
182.1 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.000 |
52 |
|
[PSU]A:1541 |
15 |
1 |
432 |
cf |
A |
x,y,z |
1_555 |
24 |
5 |
211813 |
162.2 |
-3.4 |
0.594 |
1 |
0 |
0 |
0.003 |
53 |
|
[5MC]A:1400 |
16 |
1 |
454 |
cf |
A |
x,y,z |
1_555 |
20 |
4 |
211813 |
157.3 |
-0.0 |
0.805 |
1 |
0 |
0 |
0.000 |
54 |
|
J |
20 |
8 |
7562 |
◊ |
I |
x,y,z |
1_555 |
17 |
4 |
8414 |
149.6 |
-0.9 |
0.427 |
0 |
0 |
0 |
0.000 |
55 |
|
[5MC]A:967 |
18 |
1 |
457 |
cf |
[M2G]A:966 |
x,y,z |
1_555 |
18 |
1 |
514 |
147.2 |
-0.3 |
0.641 |
0 |
0 |
0 |
0.000 |
56 |
|
[K]A:1713 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
211813 |
133.4 |
-72.5 |
0.000 |
0 |
0 |
0 |
0.062 |
57 |
|
[K]A:1703 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
211813 |
132.8 |
-82.8 |
0.000 |
0 |
0 |
0 |
0.071 |
58 |
|
[MA6]A:1519 |
19 |
1 |
507 |
cf |
[MA6]A:1518 |
x,y,z |
1_555 |
19 |
1 |
504 |
127.7 |
3.7 |
0.460 |
0 |
0 |
0 |
0.000 |
59 |
|
[PSU]A:1541 |
15 |
1 |
432 |
cf |
[PSU]A:1540 |
x,y,z |
1_555 |
16 |
1 |
425 |
124.5 |
0.3 |
0.681 |
1 |
0 |
0 |
0.000 |
60 |
|
Q |
17 |
5 |
7748 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8327 |
123.1 |
0.3 |
0.599 |
1 |
0 |
0 |
0.000 |
61 |
|
A |
16 |
5 |
211813 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
2_545 |
11 |
3 |
8414 |
115.7 |
-2.2 |
0.619 |
4 |
0 |
0 |
0.000 |
62 |
|
[M2G]A:966 |
10 |
1 |
514 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
211813 |
115.5 |
-0.7 |
0.710 |
0 |
0 |
0 |
0.000 |
63 |
|
A |
14 |
2 |
211813 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
2_545 |
15 |
3 |
10275 |
114.0 |
-3.0 |
0.444 |
0 |
0 |
0 |
0.000 |
64 |
|
[K]A:1702 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
211813 |
108.7 |
-66.7 |
0.000 |
0 |
0 |
0 |
0.057 |
65 |
|
[K]A:1705 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
211813 |
103.7 |
-60.4 |
0.000 |
0 |
0 |
0 |
0.052 |
66 |
|
[K]A:1708 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
211813 |
103.4 |
-57.6 |
0.000 |
0 |
0 |
0 |
0.049 |
67 |
|
[K]A:1707 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
211813 |
101.9 |
-64.7 |
0.000 |
0 |
0 |
0 |
0.055 |
68 |
|
[K]A:1700 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
211813 |
97.4 |
-64.4 |
0.000 |
0 |
0 |
0 |
0.055 |
69 |
|
[K]A:1715 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
211813 |
93.0 |
-55.5 |
0.000 |
0 |
0 |
0 |
0.047 |
70 |
|
A |
10 |
1 |
211813 |
◊ |
[5MC]A:1400 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
14 |
1 |
454 |
85.5 |
-0.3 |
0.719 |
1 |
0 |
0 |
0.000 |
71 |
|
[K]A:1712 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
211813 |
83.0 |
-44.1 |
0.000 |
0 |
0 |
0 |
0.038 |
72 |
|
[K]A:1701 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
211813 |
80.3 |
-48.1 |
0.000 |
0 |
0 |
0 |
0.041 |
73 |
|
[K]A:1714 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
211813 |
79.1 |
-46.8 |
0.000 |
0 |
0 |
0 |
0.040 |
74 |
|
[K]A:1711 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
2 |
211813 |
73.0 |
-42.2 |
0.000 |
0 |
0 |
0 |
0.036 |
75 |
|
[K]A:1709 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
211813 |
70.1 |
-40.7 |
0.000 |
0 |
0 |
0 |
0.035 |
76 |
|
N |
13 |
3 |
5685 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
8414 |
69.5 |
0.5 |
0.676 |
1 |
0 |
0 |
0.000 |
77 |
|
[7MG]A:527 |
5 |
1 |
516 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
9377 |
68.7 |
-0.2 |
0.542 |
1 |
0 |
0 |
0.000 |
78 |
|
[K]A:1706 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
211813 |
65.9 |
-35.0 |
0.000 |
0 |
0 |
0 |
0.030 |
79 |
|
A |
7 |
2 |
211813 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
5_454 |
7 |
3 |
8308 |
60.4 |
-1.5 |
0.421 |
0 |
0 |
0 |
0.000 |
80 |
|
L |
6 |
2 |
9377 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
8327 |
58.9 |
-0.5 |
0.350 |
0 |
0 |
0 |
0.000 |
81 |
|
E |
10 |
4 |
8407 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
11825 |
57.1 |
1.0 |
0.664 |
1 |
2 |
0 |
0.000 |
82 |
|
[TOY]A:1738 |
7 |
1 |
625 |
f |
[5MC]A:1407 |
x,y,z |
1_555 |
3 |
1 |
449 |
55.3 |
-0.4 |
0.579 |
2 |
0 |
0 |
0.001 |
83 |
|
U |
5 |
3 |
2366 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
8308 |
53.6 |
0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
84 |
|
[MA6]A:1519 |
6 |
1 |
507 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
4 |
1 |
438 |
49.5 |
-2.6 |
0.227 |
0 |
0 |
0 |
0.002 |
85 |
|
[TOY]A:1738 |
3 |
1 |
625 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
12 |
1 |
438 |
48.4 |
0.1 |
0.594 |
1 |
0 |
0 |
0.000 |
86 |
|
[M2G]A:966 |
3 |
1 |
514 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8414 |
44.0 |
-1.4 |
0.321 |
0 |
0 |
0 |
0.001 |
87 |
|
C |
6 |
3 |
11825 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12402 |
43.3 |
0.5 |
0.652 |
0 |
0 |
0 |
0.000 |
88 |
|
[K]A:1704 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
211813 |
40.5 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.019 |
89 |
|
[MA6]A:1519 |
4 |
1 |
507 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
6 |
1 |
448 |
39.4 |
1.8 |
0.702 |
0 |
0 |
0 |
0.000 |
90 |
|
[K]A:1713 |
1 |
1 |
216 |
f |
[PSU]A:516 |
x,y,z |
1_555 |
4 |
1 |
426 |
36.0 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.016 |
91 |
|
A |
4 |
2 |
211813 |
◊ |
D |
y,x,-z |
6_555 |
3 |
2 |
12052 |
34.9 |
-0.6 |
0.559 |
1 |
0 |
0 |
0.000 |
92 |
|
[K]A:1715 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
5 |
2 |
5681 |
34.1 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.014 |
93 |
|
[K]A:1710 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
211813 |
34.1 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.015 |
94 |
|
G |
3 |
2 |
10275 |
◊ |
G |
-y+1,-x+1,-z-1/2 |
8_664 |
3 |
2 |
10275 |
32.3 |
0.5 |
0.739 |
0 |
0 |
0 |
0.000 |
95 |
|
[UR3]A:1498 |
3 |
1 |
448 |
f |
[4OC]A:1402 |
x,y,z |
1_555 |
2 |
1 |
493 |
28.7 |
0.8 |
0.661 |
0 |
0 |
0 |
0.000 |
96 |
|
E |
2 |
2 |
8407 |
◊ |
B |
y,x,-z |
6_555 |
4 |
2 |
12402 |
24.2 |
1.1 |
0.883 |
0 |
0 |
0 |
0.000 |
97 |
|
[5MC]A:967 |
4 |
1 |
457 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8414 |
23.9 |
-0.7 |
0.443 |
0 |
0 |
0 |
0.000 |
98 |
|
[UR3]A:1498 |
4 |
1 |
448 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
6 |
1 |
438 |
22.3 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
99 |
|
O |
2 |
1 |
6352 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
7061 |
18.8 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
100 |
|
[MA6]A:1518 |
3 |
1 |
504 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
4 |
1 |
448 |
18.4 |
1.0 |
0.606 |
0 |
0 |
0 |
0.000 |
101 |
|
[2MG]A:1207 |
3 |
1 |
516 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11825 |
16.7 |
0.3 |
0.643 |
0 |
0 |
0 |
0.000 |
102 |
|
[ZN]N:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
211813 |
15.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.005 |
103 |
|
[5MC]A:1400 |
1 |
1 |
454 |
f |
[M2G]A:966 |
x,y,z |
1_555 |
4 |
1 |
514 |
11.3 |
0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
104 |
|
[K]A:1711 |
1 |
1 |
216 |
f |
[K]A:1706 |
x,y,z |
1_555 |
1 |
1 |
216 |
10.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.009 |
105 |
|
Q |
3 |
2 |
7748 |
◊ |
O |
x,y,z |
1_555 |
2 |
2 |
6352 |
8.9 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
106 |
|
A |
1 |
1 |
211813 |
◊ |
[PSU]A:1541 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
1 |
1 |
432 |
8.6 |
-0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
107 |
|
[K]A:1704 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12052 |
8.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.002 |
108 |
|
[K]A:1713 |
1 |
1 |
216 |
f |
[2MG]A:1207 |
x,y,z |
1_555 |
1 |
1 |
516 |
2.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.001 |
109 |
|
A |
1 |
1 |
211813 |
◊ |
K |
-y+1/2,x-1/2,z+1/4 |
2_545 |
1 |
1 |
7290 |
1.8 |
-0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
110 |
|
[K]A:1709 |
1 |
1 |
216 |
f |
[K]A:1701 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.001 |
|