## |
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 |
|
M |
475 |
119 |
18744 |
◊ |
L |
x,y,z |
1_555 |
454 |
108 |
17459 |
4145.1 |
-64.9 |
0.878 |
49 |
13 |
0 |
0.431 |
2 |
|
M |
259 |
63 |
18744 |
◊ |
H |
x,y,z |
1_555 |
282 |
80 |
14452 |
2515.5 |
-19.2 |
0.892 |
37 |
14 |
0 |
0.385 |
3 |
|
L |
148 |
38 |
17459 |
◊ |
H |
x,y,z |
1_555 |
175 |
57 |
14452 |
1488.0 |
-16.4 |
0.729 |
17 |
2 |
0 |
0.369 |
4 |
|
[SPO]M:1313 |
41 |
1 |
1148 |
f |
M |
x,y,z |
1_555 |
101 |
29 |
18744 |
723.6 |
-8.3 |
0.500 |
1 |
0 |
0 |
0.126 |
5 |
|
[BCL]M:1305 |
58 |
1 |
1365 |
f |
M |
x,y,z |
1_555 |
81 |
31 |
18744 |
563.9 |
-10.4 |
0.476 |
1 |
0 |
0 |
0.158 |
6 |
|
[BCL]L:1290 |
57 |
1 |
1327 |
f |
L |
x,y,z |
1_555 |
85 |
28 |
17459 |
534.9 |
-8.6 |
0.641 |
2 |
0 |
0 |
0.144 |
7 |
|
[CDL]M:1314 |
48 |
1 |
1667 |
◊ |
M |
x,y,z |
1_555 |
66 |
16 |
18744 |
525.1 |
-10.6 |
0.607 |
6 |
0 |
0 |
0.193 |
8 |
|
[BPH]L:1288 |
49 |
1 |
1349 |
◊ |
L |
x,y,z |
1_555 |
87 |
28 |
17459 |
510.2 |
-6.1 |
0.761 |
1 |
0 |
0 |
0.032 |
9 |
|
[BPH]M:1311 |
47 |
1 |
1334 |
◊ |
M |
x,y,z |
1_555 |
69 |
20 |
18744 |
462.8 |
-6.0 |
0.623 |
1 |
0 |
0 |
0.031 |
10 |
|
[U10]M:1312 |
35 |
1 |
1163 |
f |
M |
x,y,z |
1_555 |
68 |
20 |
18744 |
424.7 |
-6.0 |
0.792 |
2 |
0 |
0 |
0.100 |
11 |
|
[BCL]M:1304 |
43 |
1 |
1192 |
f |
M |
x,y,z |
1_555 |
38 |
16 |
18744 |
363.7 |
-9.7 |
0.127 |
0 |
0 |
0 |
0.140 |
12 |
|
L |
33 |
10 |
17459 |
◊ |
H |
-y+1,x-y+1,z+1/3 |
2_665 |
39 |
13 |
14452 |
356.6 |
-3.3 |
0.735 |
3 |
0 |
0 |
0.000 |
13 |
|
[UQ2]L:1289 |
23 |
1 |
573 |
f |
L |
x,y,z |
1_555 |
58 |
21 |
17459 |
344.1 |
-4.2 |
0.708 |
5 |
0 |
0 |
0.097 |
14 |
|
M |
31 |
13 |
18744 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
30 |
10 |
17459 |
310.9 |
-4.7 |
0.480 |
1 |
0 |
0 |
0.003 |
15 |
|
[CDL]M:1314 |
30 |
1 |
1667 |
◊ |
H |
x,y,z |
1_555 |
43 |
10 |
14452 |
303.3 |
-5.2 |
0.550 |
0 |
0 |
0 |
0.044 |
16 |
|
[BCL]L:1282 |
42 |
1 |
1190 |
f |
L |
x,y,z |
1_555 |
41 |
12 |
17459 |
298.0 |
-7.7 |
0.325 |
0 |
0 |
0 |
0.118 |
17 |
|
H |
33 |
12 |
14452 |
◊ |
M |
-x+1,-x+y,-z+1/3 |
6_655 |
27 |
8 |
18744 |
297.1 |
-1.9 |
0.744 |
6 |
0 |
0 |
0.000 |
18 |
|
[BPH]M:1311 |
34 |
1 |
1334 |
f |
L |
x,y,z |
1_555 |
28 |
9 |
17459 |
241.0 |
-7.8 |
0.224 |
0 |
0 |
0 |
0.119 |
19 |
|
[U10]M:1312 |
16 |
1 |
1163 |
◊ |
L |
x,y,z |
1_555 |
37 |
11 |
17459 |
236.8 |
-6.4 |
0.498 |
0 |
0 |
0 |
0.031 |
20 |
|
[BPH]L:1288 |
24 |
1 |
1349 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
34 |
1 |
1190 |
230.8 |
-0.4 |
0.682 |
0 |
0 |
0 |
0.002 |
21 |
|
[LDA]M:1307 |
14 |
1 |
511 |
◊ |
M |
x,y,z |
1_555 |
35 |
7 |
18744 |
226.3 |
1.1 |
0.429 |
0 |
0 |
0 |
0.000 |
22 |
|
[BPH]L:1288 |
35 |
1 |
1349 |
f |
M |
x,y,z |
1_555 |
35 |
10 |
18744 |
220.1 |
-7.3 |
0.237 |
0 |
0 |
0 |
0.106 |
23 |
|
[BCL]M:1304 |
29 |
1 |
1192 |
◊ |
L |
x,y,z |
1_555 |
35 |
8 |
17459 |
218.8 |
-4.0 |
0.583 |
2 |
0 |
0 |
0.024 |
24 |
|
[BCL]L:1282 |
26 |
1 |
1190 |
◊ |
M |
x,y,z |
1_555 |
32 |
9 |
18744 |
210.3 |
-2.7 |
0.553 |
0 |
0 |
0 |
0.013 |
25 |
|
[BPH]M:1311 |
38 |
1 |
1334 |
◊ |
[BCL]M:1305 |
x,y,z |
1_555 |
21 |
1 |
1365 |
209.9 |
1.1 |
0.814 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
26 |
8 |
14452 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
24 |
10 |
17459 |
209.8 |
-1.9 |
0.681 |
1 |
0 |
0 |
0.002 |
27 |
|
[HTO]L:1292 |
10 |
1 |
326 |
f |
L |
x,y,z |
1_555 |
31 |
11 |
17459 |
193.2 |
3.9 |
0.255 |
1 |
0 |
0 |
0.000 |
28 |
|
[LDA]L:1283 |
14 |
1 |
511 |
◊ |
L |
x,y,z |
1_555 |
24 |
8 |
17459 |
184.6 |
-0.4 |
0.266 |
0 |
0 |
0 |
0.002 |
29 |
|
[BCL]L:1290 |
27 |
1 |
1327 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
23 |
1 |
1190 |
176.7 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.003 |
30 |
|
[LDA]L:1287 |
13 |
1 |
486 |
f |
L |
x,y,z |
1_555 |
22 |
8 |
17459 |
175.3 |
1.2 |
0.374 |
0 |
0 |
0 |
0.000 |
31 |
|
[BCL]L:1290 |
20 |
1 |
1327 |
◊ |
[BPH]L:1288 |
x,y,z |
1_555 |
37 |
1 |
1349 |
173.0 |
0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
32 |
|
[LDA]M:1306 |
13 |
1 |
500 |
f |
M |
x,y,z |
1_555 |
25 |
9 |
18744 |
171.7 |
-1.1 |
0.209 |
0 |
0 |
0 |
0.015 |
33 |
|
[BCL]M:1305 |
26 |
1 |
1365 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
24 |
1 |
1192 |
167.1 |
-0.6 |
0.703 |
0 |
0 |
0 |
0.008 |
34 |
|
[LDA]M:1308 |
13 |
1 |
499 |
f |
H |
x,y,z |
1_555 |
25 |
9 |
14452 |
166.5 |
-0.4 |
0.240 |
1 |
0 |
0 |
0.012 |
35 |
|
H |
17 |
7 |
14452 |
◊ |
H |
y,x,-z |
4_555 |
17 |
7 |
14452 |
164.5 |
-2.7 |
0.398 |
3 |
0 |
0 |
0.000 |
36 |
|
[SPO]M:1313 |
21 |
1 |
1148 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
23 |
1 |
1192 |
160.9 |
-0.8 |
0.538 |
0 |
0 |
0 |
0.012 |
37 |
|
[LDA]L:1286 |
15 |
1 |
515 |
◊ |
L |
x,y,z |
1_555 |
18 |
8 |
17459 |
160.4 |
1.6 |
0.303 |
0 |
0 |
0 |
0.000 |
38 |
|
[LDA]L:1285 |
12 |
1 |
515 |
f |
M |
x,y,z |
1_555 |
17 |
5 |
18744 |
153.4 |
-0.3 |
0.189 |
0 |
0 |
0 |
0.004 |
39 |
|
[BCL]M:1305 |
28 |
1 |
1365 |
◊ |
[BCL]L:1290 |
x,y,z |
1_555 |
27 |
1 |
1327 |
150.3 |
-3.4 |
0.526 |
0 |
0 |
0 |
0.017 |
40 |
|
[LDA]L:1284 |
12 |
1 |
515 |
◊ |
M |
x,y,z |
1_555 |
19 |
8 |
18744 |
147.9 |
2.5 |
0.489 |
0 |
0 |
0 |
0.000 |
41 |
|
[BCL]M:1305 |
19 |
1 |
1365 |
◊ |
L |
x,y,z |
1_555 |
23 |
8 |
17459 |
133.0 |
-2.0 |
0.649 |
0 |
0 |
0 |
0.010 |
42 |
|
[BPH]M:1311 |
11 |
1 |
1334 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
24 |
1 |
1192 |
124.7 |
-0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
43 |
|
[BPH]M:1311 |
17 |
1 |
1334 |
◊ |
[LDA]L:1285 |
x,y,z |
1_555 |
10 |
1 |
515 |
124.7 |
1.1 |
0.336 |
0 |
0 |
0 |
0.000 |
44 |
|
[LDA]M:1308 |
11 |
1 |
499 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
18744 |
112.9 |
1.9 |
0.478 |
1 |
0 |
0 |
0.000 |
45 |
|
[LDA]M:1306 |
10 |
1 |
500 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
14452 |
105.5 |
-0.3 |
0.109 |
0 |
0 |
0 |
0.004 |
46 |
|
[BCL]L:1290 |
17 |
1 |
1327 |
◊ |
M |
x,y,z |
1_555 |
12 |
6 |
18744 |
105.4 |
-2.2 |
0.447 |
0 |
0 |
0 |
0.011 |
47 |
|
[GOL]L:1294 |
6 |
1 |
220 |
f |
L |
x,y,z |
1_555 |
16 |
8 |
17459 |
105.3 |
-1.2 |
0.577 |
1 |
0 |
0 |
0.024 |
48 |
|
[LDA]L:1285 |
11 |
1 |
515 |
◊ |
[LDA]L:1284 |
x,y,z |
1_555 |
11 |
1 |
515 |
101.3 |
4.5 |
0.261 |
0 |
0 |
0 |
0.000 |
49 |
|
[U10]M:1312 |
14 |
1 |
1163 |
f |
[BPH]L:1288 |
x,y,z |
1_555 |
7 |
1 |
1349 |
96.6 |
-1.9 |
0.628 |
0 |
0 |
0 |
0.028 |
50 |
|
[LDA]M:1309 |
12 |
1 |
514 |
◊ |
[LDA]M:1308 |
x,y,z |
1_555 |
12 |
1 |
499 |
95.6 |
3.6 |
0.205 |
0 |
0 |
0 |
0.000 |
51 |
|
[GOL]H:1253 |
6 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
13 |
4 |
14452 |
91.6 |
-1.8 |
0.344 |
0 |
0 |
0 |
0.028 |
52 |
|
[LDA]M:1306 |
8 |
1 |
500 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
11 |
1 |
1190 |
90.6 |
0.4 |
0.332 |
0 |
0 |
0 |
0.000 |
53 |
|
[LDA]L:1286 |
8 |
1 |
515 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
11 |
1 |
1192 |
87.7 |
0.6 |
0.371 |
0 |
0 |
0 |
0.000 |
54 |
|
[GOL]H:1254 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
14452 |
86.1 |
-0.8 |
0.450 |
0 |
0 |
0 |
0.012 |
55 |
|
[CDL]M:1314 |
12 |
1 |
1667 |
◊ |
L |
x,y,z |
1_555 |
18 |
6 |
17459 |
85.9 |
0.2 |
0.882 |
0 |
0 |
0 |
0.000 |
56 |
|
[PO4]L:1291 |
5 |
1 |
187 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
17459 |
81.4 |
-3.8 |
0.952 |
2 |
0 |
0 |
0.072 |
57 |
|
[LDA]L:1284 |
10 |
1 |
515 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
17459 |
80.3 |
1.0 |
0.389 |
0 |
0 |
0 |
0.000 |
58 |
|
[GOL]H:1252 |
5 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
14452 |
74.9 |
0.5 |
0.685 |
5 |
0 |
0 |
0.026 |
59 |
|
[LDA]M:1309 |
7 |
1 |
514 |
◊ |
M |
x,y,z |
1_555 |
11 |
4 |
18744 |
73.9 |
2.2 |
0.622 |
0 |
0 |
0 |
0.000 |
60 |
|
[GOL]L:1293 |
5 |
1 |
221 |
f |
L |
x,y,z |
1_555 |
12 |
8 |
17459 |
72.2 |
0.2 |
0.727 |
2 |
0 |
0 |
0.011 |
61 |
|
[LDA]M:1309 |
6 |
1 |
514 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
17459 |
66.4 |
-0.7 |
0.239 |
0 |
0 |
0 |
0.010 |
62 |
|
[GOL]M:1315 |
5 |
1 |
220 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
17459 |
64.9 |
-1.1 |
0.492 |
0 |
0 |
0 |
0.016 |
63 |
|
[GOL]L:1293 |
4 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
14452 |
61.9 |
-0.5 |
0.487 |
0 |
0 |
0 |
0.007 |
64 |
|
[U10]M:1312 |
6 |
1 |
1163 |
◊ |
[LDA]M:1309 |
x,y,z |
1_555 |
7 |
1 |
514 |
61.4 |
1.4 |
0.468 |
0 |
0 |
0 |
0.000 |
65 |
|
[GOL]H:1255 |
4 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
10 |
1 |
14452 |
58.1 |
-1.1 |
0.440 |
0 |
0 |
0 |
0.017 |
66 |
|
L |
6 |
2 |
17459 |
x |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
17459 |
57.6 |
1.2 |
0.894 |
2 |
4 |
0 |
0.000 |
67 |
|
[LDA]L:1283 |
6 |
1 |
511 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
6 |
1 |
1190 |
57.0 |
0.3 |
0.323 |
0 |
0 |
0 |
0.000 |
68 |
|
[U10]M:1312 |
9 |
1 |
1163 |
◊ |
[LDA]M:1308 |
x,y,z |
1_555 |
4 |
1 |
499 |
53.5 |
-0.1 |
0.447 |
0 |
0 |
0 |
0.001 |
69 |
|
[LDA]L:1287 |
6 |
1 |
486 |
◊ |
[LDA]L:1286 |
x,y,z |
1_555 |
5 |
1 |
515 |
50.2 |
1.4 |
0.227 |
0 |
0 |
0 |
0.000 |
70 |
|
M |
8 |
3 |
18744 |
◊ |
[PO4]L:1291 |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
1 |
187 |
47.3 |
-2.5 |
0.866 |
1 |
0 |
0 |
0.002 |
71 |
|
[FE]M:1310 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18744 |
47.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.127 |
72 |
|
[FE]M:1310 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
17459 |
44.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.033 |
73 |
|
[LDA]L:1285 |
5 |
1 |
515 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
17459 |
43.6 |
0.8 |
0.513 |
0 |
0 |
0 |
0.000 |
74 |
|
[BCL]L:1290 |
7 |
1 |
1327 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
6 |
1 |
1192 |
43.4 |
-1.3 |
0.458 |
0 |
0 |
0 |
0.006 |
75 |
|
[U10]M:1312 |
7 |
1 |
1163 |
◊ |
[BCL]L:1290 |
x,y,z |
1_555 |
2 |
1 |
1327 |
43.1 |
-0.3 |
0.728 |
0 |
0 |
0 |
0.002 |
76 |
|
[CDL]M:1314 |
5 |
1 |
1667 |
◊ |
[GOL]H:1252 |
x,y,z |
1_555 |
4 |
1 |
221 |
42.7 |
0.1 |
0.674 |
1 |
0 |
0 |
0.003 |
77 |
|
H |
3 |
1 |
14452 |
◊ |
[PO4]L:1291 |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
1 |
187 |
42.3 |
-2.3 |
0.578 |
1 |
0 |
0 |
0.002 |
78 |
|
[LDA]M:1306 |
3 |
1 |
500 |
◊ |
[GOL]M:1315 |
x,y,z |
1_555 |
4 |
1 |
220 |
40.1 |
-0.4 |
0.286 |
0 |
0 |
0 |
0.002 |
79 |
|
[LDA]L:1283 |
5 |
1 |
511 |
◊ |
[GOL]H:1255 |
x,y,z |
1_555 |
6 |
1 |
220 |
35.3 |
-0.1 |
0.291 |
0 |
0 |
0 |
0.000 |
80 |
|
[BCL]M:1305 |
8 |
1 |
1365 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
4 |
1 |
1190 |
35.2 |
-0.8 |
0.468 |
0 |
0 |
0 |
0.004 |
81 |
|
[U10]M:1312 |
4 |
1 |
1163 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
4 |
1 |
1190 |
34.0 |
0.5 |
0.718 |
0 |
0 |
0 |
0.000 |
82 |
|
[GOL]H:1252 |
4 |
1 |
221 |
◊ |
M |
x,y,z |
1_555 |
7 |
2 |
18744 |
33.5 |
0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
83 |
|
[LDA]M:1308 |
2 |
1 |
499 |
◊ |
[LDA]M:1306 |
x,y,z |
1_555 |
5 |
1 |
500 |
33.3 |
0.5 |
0.176 |
0 |
0 |
0 |
0.000 |
84 |
|
[BPH]M:1311 |
2 |
1 |
1334 |
f |
[UQ2]L:1289 |
x,y,z |
1_555 |
2 |
1 |
573 |
33.2 |
-1.1 |
0.322 |
0 |
0 |
0 |
0.016 |
85 |
|
[GOL]H:1255 |
3 |
1 |
220 |
f |
[GOL]H:1254 |
x,y,z |
1_555 |
6 |
1 |
219 |
30.8 |
-0.6 |
0.396 |
0 |
0 |
0 |
0.009 |
86 |
|
[GOL]H:1254 |
4 |
1 |
219 |
f |
[GOL]H:1253 |
x,y,z |
1_555 |
3 |
1 |
221 |
30.2 |
-0.5 |
0.416 |
0 |
0 |
0 |
0.008 |
87 |
|
[GOL]L:1293 |
3 |
1 |
221 |
◊ |
[GOL]H:1252 |
x,y,z |
1_555 |
2 |
1 |
221 |
30.2 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.004 |
88 |
|
[UQ2]L:1289 |
1 |
1 |
573 |
f |
[LDA]L:1287 |
x,y,z |
1_555 |
2 |
1 |
486 |
29.9 |
-1.0 |
0.180 |
0 |
0 |
0 |
0.015 |
89 |
|
[LDA]L:1283 |
4 |
1 |
511 |
◊ |
[GOL]M:1315 |
x,y,z |
1_555 |
3 |
1 |
220 |
29.3 |
1.2 |
0.494 |
0 |
0 |
0 |
0.000 |
90 |
|
[BPH]L:1288 |
3 |
1 |
1349 |
f |
[LDA]L:1283 |
x,y,z |
1_555 |
2 |
1 |
511 |
28.6 |
-0.5 |
0.291 |
0 |
0 |
0 |
0.007 |
91 |
|
[UQ2]L:1289 |
3 |
1 |
573 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
1 |
1 |
1192 |
27.8 |
0.5 |
0.642 |
0 |
0 |
0 |
0.000 |
92 |
|
[BCL]L:1282 |
3 |
1 |
1190 |
f |
[GOL]M:1315 |
x,y,z |
1_555 |
4 |
1 |
220 |
25.0 |
-0.7 |
0.410 |
0 |
0 |
0 |
0.011 |
93 |
|
[LDA]L:1286 |
3 |
1 |
515 |
f |
M |
x,y,z |
1_555 |
3 |
2 |
18744 |
24.3 |
0.4 |
0.391 |
0 |
0 |
0 |
0.000 |
94 |
|
[BCL]M:1305 |
1 |
1 |
1365 |
f |
[LDA]L:1285 |
x,y,z |
1_555 |
3 |
1 |
515 |
24.1 |
0.5 |
0.409 |
0 |
0 |
0 |
0.000 |
95 |
|
[BCL]L:1290 |
3 |
1 |
1327 |
f |
[LDA]M:1309 |
x,y,z |
1_555 |
2 |
1 |
514 |
23.5 |
0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
96 |
|
[LDA]L:1287 |
3 |
1 |
486 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
3 |
1 |
1192 |
22.3 |
0.4 |
0.397 |
0 |
0 |
0 |
0.000 |
97 |
|
[CDL]M:1314 |
5 |
1 |
1667 |
◊ |
[GOL]L:1293 |
x,y,z |
1_555 |
2 |
1 |
221 |
21.6 |
0.3 |
0.563 |
0 |
0 |
0 |
0.000 |
98 |
|
[U10]M:1312 |
2 |
1 |
1163 |
f |
[LDA]M:1306 |
x,y,z |
1_555 |
3 |
1 |
500 |
21.1 |
0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
99 |
|
[GOL]H:1252 |
4 |
1 |
221 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
17459 |
20.0 |
0.3 |
0.768 |
1 |
0 |
0 |
0.002 |
100 |
|
[UQ2]L:1289 |
2 |
1 |
573 |
f |
[LDA]L:1284 |
x,y,z |
1_555 |
2 |
1 |
515 |
19.3 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.003 |
101 |
|
[HTO]L:1292 |
3 |
1 |
326 |
f |
[GOL]L:1294 |
x,y,z |
1_555 |
1 |
1 |
220 |
18.0 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
102 |
|
[LDA]M:1309 |
2 |
1 |
514 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
3 |
1 |
1190 |
17.4 |
0.2 |
0.369 |
0 |
0 |
0 |
0.000 |
103 |
|
[GOL]M:1315 |
3 |
1 |
220 |
◊ |
[GOL]H:1255 |
x,y,z |
1_555 |
1 |
1 |
220 |
16.5 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
104 |
|
[GOL]M:1315 |
1 |
1 |
220 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
18744 |
15.6 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
105 |
|
[GOL]M:1315 |
1 |
1 |
220 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14452 |
12.8 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.005 |
106 |
|
[UQ2]L:1289 |
3 |
1 |
573 |
◊ |
M |
x,y,z |
1_555 |
2 |
2 |
18744 |
11.7 |
-0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
107 |
|
[LDA]M:1307 |
2 |
1 |
511 |
f |
L |
x,y,z |
1_555 |
3 |
3 |
17459 |
9.2 |
-0.3 |
0.381 |
0 |
0 |
0 |
0.004 |
108 |
|
[LDA]M:1306 |
3 |
1 |
500 |
◊ |
[GOL]H:1255 |
x,y,z |
1_555 |
3 |
1 |
220 |
8.6 |
0.3 |
0.333 |
0 |
0 |
0 |
0.000 |
109 |
|
[LDA]M:1307 |
1 |
1 |
511 |
f |
[LDA]L:1287 |
x,y,z |
1_555 |
1 |
1 |
486 |
8.2 |
0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
110 |
|
[LDA]M:1307 |
1 |
1 |
511 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14452 |
7.1 |
-0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
111 |
|
[LDA]M:1308 |
2 |
1 |
499 |
f |
[GOL]H:1254 |
x,y,z |
1_555 |
1 |
1 |
219 |
6.7 |
0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
112 |
|
[CDL]M:1314 |
1 |
1 |
1667 |
◊ |
[GOL]H:1253 |
x,y,z |
1_555 |
1 |
1 |
221 |
6.1 |
0.3 |
0.649 |
0 |
0 |
0 |
0.000 |
113 |
|
[LDA]M:1308 |
1 |
1 |
499 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
3 |
1 |
1190 |
5.6 |
0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
114 |
|
[LDA]M:1308 |
2 |
1 |
499 |
f |
[GOL]H:1253 |
x,y,z |
1_555 |
1 |
1 |
221 |
4.9 |
0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
115 |
|
[LDA]M:1306 |
1 |
1 |
500 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
17459 |
4.6 |
-0.1 |
0.318 |
0 |
0 |
0 |
0.000 |
116 |
|
[LDA]M:1306 |
1 |
1 |
500 |
◊ |
[GOL]H:1254 |
x,y,z |
1_555 |
1 |
1 |
219 |
3.2 |
0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
117 |
|
[LDA]M:1309 |
1 |
1 |
514 |
◊ |
[GOL]H:1254 |
x,y,z |
1_555 |
1 |
1 |
219 |
2.7 |
-0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
118 |
|
[U10]M:1312 |
1 |
1 |
1163 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
14452 |
2.2 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
119 |
|
[FE]M:1310 |
1 |
1 |
137 |
◊ |
[UQ2]L:1289 |
x,y,z |
1_555 |
1 |
1 |
573 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
120 |
|
[U10]M:1312 |
1 |
1 |
1163 |
f |
[FE]M:1310 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
121 |
|
[SPO]M:1313 |
1 |
1 |
1148 |
f |
[BCL]M:1305 |
x,y,z |
1_555 |
1 |
1 |
1365 |
1.0 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
122 |
|
[LDA]L:1284 |
1 |
1 |
515 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
1 |
1 |
17459 |
1.0 |
-0.0 |
0.409 |
0 |
0 |
0 |
0.000 |
123 |
|
[LDA]M:1308 |
1 |
1 |
499 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
17459 |
0.9 |
-0.0 |
0.401 |
0 |
0 |
0 |
0.000 |
124 |
|
[UQ2]L:1289 |
1 |
1 |
573 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14452 |
0.7 |
0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
125 |
|
[LDA]M:1309 |
1 |
1 |
514 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14452 |
0.3 |
-0.0 |
0.404 |
0 |
0 |
0 |
0.000 |
|