| ## |
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 |
135 |
31 |
8429 |
◊ |
A |
x,y,z |
1_555 |
143 |
41 |
17442 |
1357.4 |
-7.7 |
0.272 |
21 |
10 |
0 |
0.158 |
2 |
|
E |
123 |
30 |
8511 |
◊ |
D |
x,y,z |
1_555 |
148 |
43 |
17406 |
1307.3 |
-8.9 |
0.231 |
20 |
7 |
0 |
0.158 |
| Average: |
1332.3 |
-8.3 |
0.251 |
21 |
9 |
0 |
0.158 |
| 2 |
3 |
|
A |
77 |
24 |
17442 |
◊ |
A |
-x,-x+y,-z-2/3 |
9_554 |
76 |
24 |
17442 |
663.4 |
0.2 |
0.688 |
10 |
0 |
0 |
0.000 |
4 |
|
D |
73 |
23 |
17406 |
◊ |
D |
x,x-y-1,-z-1/6 |
12_544 |
73 |
23 |
17406 |
647.5 |
0.6 |
0.732 |
6 |
0 |
0 |
0.000 |
| Average: |
655.5 |
0.4 |
0.710 |
8 |
0 |
0 |
0.000 |
| 3 |
5 |
|
D |
68 |
21 |
17406 |
◊ |
A |
x,y,z |
1_555 |
68 |
21 |
17442 |
592.0 |
-4.5 |
0.293 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
41 |
13 |
8429 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
42 |
13 |
8511 |
369.4 |
-1.2 |
0.409 |
4 |
0 |
0 |
0.011 |
| 5 |
7 |
|
A |
29 |
6 |
17442 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
25 |
7 |
8511 |
269.1 |
-0.6 |
0.518 |
4 |
0 |
0 |
0.021 |
| 6 |
8 |
|
B |
22 |
7 |
8429 |
◊ |
D |
x-y-1,x-1,z-1/6 |
6_444 |
16 |
5 |
17406 |
142.0 |
-0.5 |
0.533 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[NAG]A:1313 |
10 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
17442 |
134.7 |
5.2 |
0.640 |
3 |
0 |
0 |
0.000 |
10 |
|
[NAG]D:1413 |
10 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
18 |
5 |
17406 |
129.8 |
4.5 |
0.452 |
2 |
0 |
0 |
0.000 |
| Average: |
132.2 |
4.8 |
0.546 |
3 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NAG]A:1138 |
13 |
1 |
370 |
cf |
A |
x,y,z |
1_555 |
23 |
7 |
17442 |
131.5 |
2.9 |
0.288 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]D:1238 |
13 |
1 |
370 |
cf |
D |
x,y,z |
1_555 |
16 |
5 |
17406 |
123.1 |
2.2 |
0.230 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[SO4]D:1474 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
17406 |
119.7 |
-17.3 |
0.598 |
4 |
0 |
0 |
0.141 |
| 11 |
14 |
|
[SO4]A:1375 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
17442 |
119.1 |
-16.8 |
0.601 |
3 |
0 |
0 |
0.158 |
| 12 |
15 |
|
[SO4]D:1468 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
17406 |
115.8 |
-16.0 |
0.815 |
4 |
0 |
0 |
0.132 |
| 13 |
16 |
|
B |
13 |
5 |
8429 |
◊ |
A |
-x,-x+y,-z-2/3 |
9_554 |
12 |
5 |
17442 |
103.1 |
-1.3 |
0.290 |
0 |
0 |
0 |
0.000 |
17 |
|
E |
10 |
5 |
8511 |
◊ |
D |
x,x-y-1,-z-1/6 |
12_544 |
14 |
6 |
17406 |
93.2 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
98.2 |
-1.0 |
0.358 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8429 |
98.3 |
-14.4 |
0.797 |
2 |
0 |
0 |
0.130 |
| 15 |
19 |
|
A |
15 |
7 |
17442 |
◊ |
[BGC]D:1241 |
y,x-1,-z-1/3 |
7_544 |
7 |
1 |
297 |
97.6 |
1.5 |
0.360 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[SO4]D:1476 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
17406 |
96.8 |
-15.5 |
0.762 |
6 |
0 |
0 |
0.134 |
| 17 |
21 |
|
[SO4]A:1368 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
17442 |
95.5 |
-13.5 |
0.762 |
2 |
0 |
0 |
0.125 |
| 18 |
22 |
|
[LXB]D:1461 |
9 |
1 |
367 |
cf |
D |
x,y,z |
1_555 |
9 |
4 |
17406 |
94.0 |
2.7 |
0.360 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[SO4]A:1372 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17442 |
91.8 |
-12.9 |
0.753 |
4 |
0 |
0 |
0.128 |
24 |
|
[SO4]D:1471 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
17406 |
88.9 |
-12.0 |
0.834 |
3 |
0 |
0 |
0.128 |
| Average: |
90.4 |
-12.5 |
0.793 |
4 |
0 |
0 |
0.128 |
| 20 |
25 |
|
[LXZ]A:1361 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
17442 |
87.0 |
2.0 |
0.293 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[SO4]D:1475 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17406 |
84.8 |
-13.0 |
0.658 |
3 |
0 |
0 |
0.106 |
| 22 |
27 |
|
[NAG]A:1314 |
9 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
17442 |
84.1 |
1.9 |
0.325 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[NAG]D:1414 |
9 |
1 |
355 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
17406 |
81.4 |
1.7 |
0.291 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[NAG]A:1139 |
11 |
1 |
372 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
10 |
3 |
8511 |
81.4 |
0.6 |
0.118 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[SO4]A:1376 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17442 |
79.3 |
-11.2 |
0.805 |
3 |
0 |
0 |
0.109 |
| 26 |
31 |
|
[NAG]A:1210 |
9 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
17442 |
77.8 |
2.1 |
0.272 |
2 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[NAG]A:1139 |
9 |
1 |
372 |
cf |
[NAG]A:1138 |
x,y,z |
1_555 |
7 |
1 |
370 |
77.0 |
1.6 |
0.073 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[SO4]A:1374 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17442 |
76.3 |
-9.8 |
0.818 |
1 |
0 |
0 |
0.089 |
| 29 |
34 |
|
[NAG]A:1314 |
8 |
1 |
364 |
cf |
[NAG]A:1313 |
x,y,z |
1_555 |
6 |
1 |
366 |
74.6 |
1.9 |
0.153 |
1 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[NAG]D:1239 |
8 |
1 |
370 |
cf |
[NAG]D:1238 |
x,y,z |
1_555 |
7 |
1 |
370 |
73.0 |
1.6 |
0.102 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[BMA]A:1140 |
8 |
1 |
299 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
10 |
4 |
8511 |
72.9 |
1.8 |
0.358 |
1 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8429 |
72.3 |
-9.7 |
0.870 |
3 |
0 |
0 |
0.094 |
| 33 |
38 |
|
[SO4]E:190 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
8511 |
71.6 |
-9.1 |
0.791 |
2 |
0 |
0 |
0.087 |
| 34 |
39 |
|
[NAG]D:1414 |
8 |
1 |
355 |
cf |
[NAG]D:1413 |
x,y,z |
1_555 |
6 |
1 |
357 |
70.4 |
1.7 |
0.099 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[LXB]D:1461 |
7 |
1 |
367 |
cf |
[BGC]D:1466 |
x,y,z |
1_555 |
6 |
1 |
289 |
70.2 |
2.8 |
0.163 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[BMA]A:1141 |
5 |
1 |
294 |
cf |
[BMA]A:1140 |
x,y,z |
1_555 |
6 |
1 |
299 |
68.5 |
2.7 |
0.319 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[SO4]A:1373 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17442 |
68.5 |
-8.4 |
0.919 |
2 |
0 |
0 |
0.081 |
| 38 |
43 |
|
[NAG]D:1310 |
10 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
17406 |
68.4 |
1.9 |
0.289 |
1 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[LXZ]A:1361 |
7 |
1 |
361 |
cf |
[BGC]A:1366 |
x,y,z |
1_555 |
7 |
1 |
291 |
67.9 |
2.1 |
0.145 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[GXL]D:1467 |
5 |
1 |
288 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17406 |
67.6 |
1.3 |
0.369 |
1 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[SO4]D:1473 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
17406 |
66.9 |
-8.5 |
0.841 |
2 |
0 |
0 |
0.069 |
| 42 |
47 |
|
[NGA]A:1362 |
9 |
1 |
354 |
cf |
[LXZ]A:1361 |
x,y,z |
1_555 |
6 |
1 |
361 |
66.0 |
2.0 |
0.102 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[GLC]A:1367 |
5 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17442 |
65.9 |
0.9 |
0.349 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[SO4]D:1477 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
17406 |
65.2 |
-8.5 |
0.866 |
2 |
0 |
0 |
0.069 |
| 45 |
50 |
|
[BGC]D:1241 |
7 |
1 |
297 |
cf |
[BMA]D:1240 |
x,y,z |
1_555 |
7 |
1 |
298 |
64.9 |
3.0 |
0.228 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[NGZ]D:1462 |
8 |
1 |
368 |
cf |
[LXB]D:1461 |
x,y,z |
1_555 |
7 |
1 |
367 |
64.8 |
2.1 |
0.096 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[SO4]A:1369 |
5 |
1 |
186 |
f |
E |
y,x-1,-z-1/3 |
7_544 |
9 |
3 |
8511 |
64.1 |
-8.9 |
0.750 |
2 |
0 |
0 |
0.085 |
| 48 |
53 |
|
[GL0]A:1363 |
6 |
1 |
289 |
cf |
[NGA]A:1362 |
x,y,z |
1_555 |
6 |
1 |
354 |
61.2 |
1.1 |
0.151 |
0 |
0 |
0 |
0.000 |
| 49 |
54 |
|
[GL0]A:1363 |
4 |
1 |
289 |
cf |
[BGC]A:1364 |
x,y,z |
1_555 |
6 |
1 |
288 |
60.8 |
2.0 |
0.306 |
0 |
0 |
0 |
0.000 |
55 |
|
[GL0]D:1463 |
9 |
1 |
288 |
cf |
[BGC]D:1464 |
x,y,z |
1_555 |
6 |
1 |
294 |
60.2 |
2.0 |
0.189 |
0 |
0 |
0 |
0.000 |
| Average: |
60.5 |
2.0 |
0.248 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[NGZ]D:1462 |
5 |
1 |
368 |
cf |
[GL0]D:1463 |
x,y,z |
1_555 |
6 |
1 |
288 |
60.5 |
1.2 |
0.148 |
0 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[BMA]D:1240 |
6 |
1 |
298 |
cf |
[NAG]D:1239 |
x,y,z |
1_555 |
4 |
1 |
370 |
60.4 |
1.3 |
0.139 |
1 |
0 |
0 |
0.000 |
| 52 |
58 |
|
[BMA]A:1140 |
7 |
1 |
299 |
cf |
[NAG]A:1139 |
x,y,z |
1_555 |
5 |
1 |
372 |
60.3 |
0.9 |
0.101 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
[NGZ]D:1462 |
7 |
1 |
368 |
f |
[BGC]D:1466 |
x,y,z |
1_555 |
6 |
1 |
289 |
59.9 |
1.7 |
0.131 |
1 |
0 |
0 |
0.000 |
| 54 |
60 |
|
[GLC]D:1465 |
6 |
1 |
296 |
cf |
[GL0]D:1463 |
x,y,z |
1_555 |
6 |
1 |
288 |
58.9 |
0.4 |
0.127 |
0 |
0 |
0 |
0.000 |
| 55 |
61 |
|
[MAN]D:1242 |
6 |
1 |
293 |
cf |
[BMA]D:1240 |
x,y,z |
1_555 |
6 |
1 |
298 |
58.7 |
1.4 |
0.134 |
0 |
0 |
0 |
0.000 |
| 56 |
62 |
|
[SO4]A:1369 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
17442 |
58.6 |
-7.5 |
0.751 |
2 |
0 |
0 |
0.073 |
| 57 |
63 |
|
[GXL]D:1467 |
7 |
1 |
288 |
cf |
[LXB]D:1461 |
x,y,z |
1_555 |
7 |
1 |
367 |
57.4 |
2.2 |
0.105 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[NGZ]D:1462 |
8 |
1 |
368 |
f |
[GLC]D:1465 |
x,y,z |
1_555 |
5 |
1 |
296 |
57.2 |
2.1 |
0.172 |
0 |
0 |
0 |
0.000 |
| 59 |
65 |
|
[GLC]A:1367 |
5 |
1 |
286 |
cf |
[LXZ]A:1361 |
x,y,z |
1_555 |
3 |
1 |
361 |
57.0 |
2.1 |
0.352 |
0 |
0 |
0 |
0.000 |
| 60 |
66 |
|
[NGA]A:1362 |
7 |
1 |
354 |
f |
[BGC]A:1366 |
x,y,z |
1_555 |
5 |
1 |
291 |
56.3 |
0.9 |
0.092 |
1 |
0 |
0 |
0.000 |
| 61 |
67 |
|
[GLC]A:1365 |
6 |
1 |
292 |
cf |
[GL0]A:1363 |
x,y,z |
1_555 |
5 |
1 |
289 |
56.2 |
0.1 |
0.147 |
0 |
0 |
0 |
0.000 |
| 62 |
68 |
|
[SO4]D:1472 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
17406 |
55.9 |
-6.9 |
0.883 |
2 |
0 |
0 |
0.058 |
| 63 |
69 |
|
[SO4]A:1368 |
5 |
1 |
185 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
8 |
2 |
8511 |
55.4 |
-6.6 |
0.853 |
3 |
0 |
0 |
0.069 |
| 64 |
70 |
|
[MAN]A:1142 |
6 |
1 |
295 |
cf |
[BMA]A:1140 |
x,y,z |
1_555 |
4 |
1 |
299 |
55.1 |
1.9 |
0.225 |
0 |
0 |
0 |
0.000 |
| 65 |
71 |
|
[MAN]A:1142 |
8 |
1 |
295 |
f |
[NAG]A:1139 |
x,y,z |
1_555 |
5 |
1 |
372 |
53.4 |
1.7 |
0.125 |
0 |
0 |
0 |
0.000 |
| 66 |
72 |
|
[SO4]A:1371 |
4 |
1 |
185 |
f |
[NAG]A:1314 |
x,y,z |
1_555 |
8 |
1 |
364 |
53.3 |
-6.4 |
0.302 |
1 |
0 |
0 |
0.060 |
| 67 |
73 |
|
[BMA]A:1141 |
6 |
1 |
294 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
8 |
3 |
8511 |
50.2 |
0.3 |
0.307 |
0 |
0 |
0 |
0.000 |
| 68 |
74 |
|
[GLC]A:1365 |
5 |
1 |
292 |
f |
[NGA]A:1362 |
x,y,z |
1_555 |
7 |
1 |
354 |
50.2 |
0.9 |
0.099 |
0 |
0 |
0 |
0.000 |
| 69 |
75 |
|
[GLC]A:1367 |
5 |
1 |
286 |
f |
[NGA]A:1362 |
x,y,z |
1_555 |
9 |
1 |
354 |
49.0 |
2.8 |
0.174 |
0 |
0 |
0 |
0.000 |
| 70 |
76 |
|
[SO4]D:1470 |
4 |
1 |
184 |
f |
[NAG]D:1414 |
x,y,z |
1_555 |
8 |
1 |
355 |
48.8 |
-5.4 |
0.323 |
1 |
0 |
0 |
0.043 |
| 71 |
77 |
|
[MAN]D:1242 |
6 |
1 |
293 |
f |
[NAG]D:1239 |
x,y,z |
1_555 |
7 |
1 |
370 |
45.6 |
1.2 |
0.118 |
0 |
0 |
0 |
0.000 |
| 72 |
78 |
|
[SO4]A:1370 |
4 |
1 |
185 |
f |
[NAG]A:1210 |
x,y,z |
1_555 |
4 |
1 |
353 |
45.2 |
-4.0 |
0.519 |
1 |
0 |
0 |
0.039 |
| 73 |
79 |
|
[GXL]D:1467 |
3 |
1 |
288 |
f |
[NGZ]D:1462 |
x,y,z |
1_555 |
8 |
1 |
368 |
42.5 |
2.1 |
0.215 |
0 |
0 |
0 |
0.000 |
| 74 |
80 |
|
[MAN]A:1142 |
3 |
1 |
295 |
◊ |
[SO4]E:190 |
y,x-1,-z-1/3 |
7_544 |
3 |
1 |
184 |
40.8 |
-4.1 |
0.553 |
0 |
0 |
0 |
0.036 |
| 75 |
81 |
|
[NAG]A:1138 |
6 |
1 |
370 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
3 |
1 |
8511 |
40.8 |
-0.5 |
0.079 |
0 |
0 |
0 |
0.004 |
| 76 |
82 |
|
[SO4]A:1371 |
4 |
1 |
185 |
f |
[NAG]A:1313 |
x,y,z |
1_555 |
4 |
1 |
366 |
39.4 |
-4.6 |
0.299 |
0 |
0 |
0 |
0.040 |
| 77 |
83 |
|
[SO4]D:1469 |
4 |
1 |
185 |
f |
[NAG]D:1310 |
x,y,z |
1_555 |
4 |
1 |
365 |
38.3 |
-3.6 |
0.445 |
1 |
0 |
0 |
0.030 |
| 78 |
84 |
|
[SO4]A:1375 |
3 |
1 |
185 |
f |
[SO4]A:1374 |
x,y,z |
1_555 |
4 |
1 |
185 |
37.8 |
-8.3 |
0.995 |
0 |
0 |
0 |
0.072 |
| 79 |
85 |
|
[MAN]A:1142 |
5 |
1 |
295 |
◊ |
E |
y,x-1,-z-1/3 |
7_544 |
4 |
1 |
8511 |
37.8 |
0.9 |
0.368 |
0 |
0 |
0 |
0.000 |
| 80 |
86 |
|
[NGA]A:1362 |
4 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
17442 |
37.2 |
0.6 |
0.272 |
0 |
0 |
0 |
0.000 |
| 81 |
87 |
|
[SO4]D:1470 |
3 |
1 |
184 |
f |
[NAG]D:1413 |
x,y,z |
1_555 |
5 |
1 |
357 |
37.0 |
-4.5 |
0.252 |
0 |
0 |
0 |
0.033 |
| 82 |
88 |
|
[NGZ]D:1462 |
4 |
1 |
368 |
f |
D |
x,y,z |
1_555 |
7 |
1 |
17406 |
36.2 |
0.5 |
0.280 |
0 |
0 |
0 |
0.000 |
| 83 |
89 |
|
[SO4]A:1369 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8429 |
35.1 |
-4.5 |
0.413 |
0 |
0 |
0 |
0.016 |
| 84 |
90 |
|
[SO4]D:1469 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
17406 |
33.5 |
-4.4 |
0.818 |
0 |
0 |
0 |
0.033 |
| 85 |
91 |
|
[SO4]D:1474 |
4 |
1 |
186 |
f |
[SO4]D:1473 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.4 |
-7.2 |
0.995 |
0 |
0 |
0 |
0.053 |
| 86 |
92 |
|
[BGC]D:1241 |
3 |
1 |
297 |
f |
[NAG]D:1239 |
x,y,z |
1_555 |
4 |
1 |
370 |
32.3 |
1.2 |
0.273 |
0 |
0 |
0 |
0.000 |
| 87 |
93 |
|
[SO4]D:1472 |
3 |
1 |
186 |
f |
[NAG]D:1413 |
x,y,z |
1_555 |
1 |
1 |
357 |
29.7 |
-2.3 |
0.922 |
0 |
0 |
0 |
0.017 |
| 88 |
94 |
|
[SO4]A:1373 |
4 |
1 |
186 |
f |
[NAG]A:1313 |
x,y,z |
1_555 |
3 |
1 |
366 |
27.7 |
-2.4 |
0.576 |
0 |
0 |
0 |
0.021 |
| 89 |
95 |
|
[NAG]A:1210 |
3 |
1 |
353 |
◊ |
[MAN]D:1242 |
y,x-1,-z-1/3 |
7_544 |
4 |
1 |
293 |
27.7 |
1.2 |
0.258 |
0 |
0 |
0 |
0.000 |
| 90 |
96 |
|
A |
6 |
3 |
17442 |
◊ |
[BMA]D:1240 |
y,x-1,-z-1/3 |
7_544 |
2 |
1 |
298 |
27.0 |
-0.3 |
0.289 |
0 |
0 |
0 |
0.000 |
| 91 |
97 |
|
[LXZ]A:1361 |
3 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8429 |
26.7 |
1.6 |
0.554 |
0 |
0 |
0 |
0.000 |
| 92 |
98 |
|
[SO4]A:1370 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17442 |
26.4 |
-3.2 |
0.862 |
0 |
0 |
0 |
0.027 |
| 93 |
99 |
|
[NAG]D:1239 |
4 |
1 |
370 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
17406 |
25.6 |
0.2 |
0.203 |
0 |
0 |
0 |
0.000 |
| 94 |
100 |
|
[NGZ]D:1462 |
2 |
1 |
368 |
f |
[BGC]D:1464 |
x,y,z |
1_555 |
3 |
1 |
294 |
24.8 |
0.7 |
0.251 |
0 |
0 |
0 |
0.000 |
| 95 |
101 |
|
[LXB]D:1461 |
2 |
1 |
367 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8511 |
24.0 |
1.0 |
0.465 |
1 |
0 |
0 |
0.000 |
| 96 |
102 |
|
[SO4]A:1374 |
1 |
1 |
185 |
f |
[NAG]A:1314 |
x,y,z |
1_555 |
1 |
1 |
364 |
20.8 |
-2.0 |
0.793 |
0 |
0 |
0 |
0.017 |
| 97 |
103 |
|
[BMA]A:1141 |
3 |
1 |
294 |
f |
[NAG]A:1139 |
x,y,z |
1_555 |
2 |
1 |
372 |
14.5 |
0.2 |
0.250 |
0 |
0 |
0 |
0.000 |
| 98 |
104 |
|
[NAG]A:1210 |
2 |
1 |
353 |
◊ |
[BMA]D:1240 |
y,x-1,-z-1/3 |
7_544 |
3 |
1 |
298 |
12.3 |
0.5 |
0.236 |
0 |
0 |
0 |
0.000 |
| 99 |
105 |
|
[SO4]D:1473 |
1 |
1 |
185 |
f |
[NAG]D:1414 |
x,y,z |
1_555 |
3 |
1 |
355 |
10.6 |
-1.0 |
0.431 |
0 |
0 |
0 |
0.007 |
| 100 |
106 |
|
[NGA]A:1362 |
4 |
1 |
354 |
f |
[BGC]A:1364 |
x,y,z |
1_555 |
3 |
1 |
288 |
9.9 |
0.4 |
0.156 |
0 |
0 |
0 |
0.000 |
| 101 |
107 |
|
[BMA]A:1140 |
1 |
1 |
299 |
◊ |
[SO4]E:190 |
y,x-1,-z-1/3 |
7_544 |
2 |
1 |
184 |
8.0 |
-0.9 |
0.418 |
0 |
0 |
0 |
0.008 |
| 102 |
108 |
|
[GLC]A:1367 |
1 |
1 |
286 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8429 |
7.9 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.000 |
| 103 |
109 |
|
B |
1 |
1 |
8429 |
◊ |
[SO4]D:1476 |
x-y-1,x-1,z-1/6 |
6_444 |
1 |
1 |
186 |
6.9 |
-0.8 |
0.793 |
0 |
0 |
0 |
0.000 |
| 104 |
110 |
|
[NAG]A:1139 |
1 |
1 |
372 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
17442 |
5.9 |
-0.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 105 |
111 |
|
[BGC]D:1466 |
1 |
1 |
289 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
17406 |
5.5 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
| 106 |
112 |
|
[GXL]D:1467 |
1 |
1 |
288 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8511 |
4.2 |
-0.0 |
0.367 |
0 |
0 |
0 |
0.000 |
| 107 |
113 |
|
[GLC]A:1367 |
1 |
1 |
286 |
f |
[GL0]A:1363 |
x,y,z |
1_555 |
1 |
1 |
289 |
1.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 108 |
114 |
|
[BGC]A:1366 |
1 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17442 |
1.2 |
0.1 |
0.353 |
0 |
0 |
0 |
0.000 |
| 109 |
115 |
|
[SO4]A:1369 |
1 |
1 |
186 |
◊ |
[SO4]A:1368 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.2 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
| 110 |
116 |
|
[SO4]A:1368 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8429 |
1.1 |
-0.1 |
0.704 |
0 |
0 |
0 |
0.001 |
|