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ID	15	NAME	MRTGNAD   Blast NCBI-PROT
LENGTH	7	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\risultati_grimd_abalone\pdb_final\MRTGNAD.pdb REMARK YASARA Written on: Wed May 14 14:39:13 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 101 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 7 MET ARG THR GLY ASN ALA ASP ATOM 1 N MET 1 0.620 -6.814 8.564 1.00 -0.42 N ATOM 2 1H MET 1 1.472 -7.164 8.151 1.00 -0.42 H ATOM 3 2H MET 1 -0.138 -6.897 7.898 1.00 -0.42 H ATOM 4 3H MET 1 0.734 -5.839 8.802 1.00 0.27 H ATOM 5 CA MET 1 0.290 -7.600 9.790 1.00 -0.02 C ATOM 6 HA MET 1 0.226 -8.648 9.496 1.00 0.09 H ATOM 7 C MET 1 -1.093 -7.227 10.303 1.00 0.60 C ATOM 8 O MET 1 -1.941 -8.098 10.396 1.00 -0.57 O ATOM 9 CB MET 1 1.390 -7.494 10.860 1.00 0.03 C ATOM 10 1HB MET 1 1.124 -8.154 11.686 1.00 0.02 H ATOM 11 2HB MET 1 2.313 -7.869 10.419 1.00 0.02 H ATOM 12 CG MET 1 1.681 -6.098 11.419 1.00 0.00 C ATOM 13 1HG MET 1 1.901 -5.425 10.590 1.00 0.04 H ATOM 14 2HG MET 1 0.807 -5.728 11.954 1.00 0.04 H ATOM 15 SD MET 1 3.090 -6.086 12.538 1.00 -0.27 S ATOM 16 CE MET 1 2.467 -6.923 14.027 1.00 -0.05 C ATOM 17 1HE MET 1 3.244 -6.917 14.794 1.00 0.07 H ATOM 18 2HE MET 1 1.590 -6.401 14.408 1.00 0.07 H ATOM 19 3HE MET 1 2.209 -7.957 13.796 1.00 0.07 H ATOM 20 N ARG 2 -1.385 -5.945 10.499 1.00 -0.35 N ATOM 21 H ARG 2 -0.665 -5.249 10.592 1.00 0.28 H ATOM 22 CA ARG 2 -2.763 -5.466 10.398 1.00 -0.26 C ATOM 23 HA ARG 2 -3.454 -6.181 10.851 1.00 0.16 H ATOM 24 C ARG 2 -2.984 -5.447 8.881 1.00 0.73 C ATOM 25 O ARG 2 -1.994 -5.521 8.138 1.00 -0.59 O ATOM 26 CB ARG 2 -2.927 -4.103 11.083 1.00 -0.00 C ATOM 27 1HB ARG 2 -2.306 -3.369 10.569 1.00 0.03 H ATOM 28 2HB ARG 2 -3.968 -3.798 11.002 1.00 0.03 H ATOM 29 CG ARG 2 -2.537 -4.129 12.567 1.00 0.04 C ATOM 30 1HG ARG 2 -3.057 -4.949 13.064 1.00 0.03 H ATOM 31 2HG ARG 2 -1.465 -4.305 12.639 1.00 0.03 H ATOM 32 CD ARG 2 -2.851 -2.828 13.302 1.00 0.05 C ATOM 33 1HD ARG 2 -2.263 -2.802 14.220 1.00 0.07 H ATOM 34 2HD ARG 2 -2.558 -1.985 12.674 1.00 0.07 H ATOM 35 NE ARG 2 -4.269 -2.707 13.665 1.00 -0.53 N ATOM 36 HE ARG 2 -4.891 -3.471 13.404 1.00 0.35 H ATOM 37 CZ ARG 2 -4.851 -1.670 14.255 1.00 0.81 C ATOM 38 NH1 ARG 2 -6.105 -1.770 14.582 1.00 -0.86 N ATOM 39 1HH1 ARG 2 -6.609 -2.618 14.358 1.00 0.32 H ATOM 40 2HH1 ARG 2 -6.599 -0.965 14.932 1.00 0.32 H ATOM 41 NH2 ARG 2 -4.246 -0.536 14.496 1.00 -0.86 N ATOM 42 1HH2 ARG 2 -3.269 -0.435 14.301 1.00 0.32 H ATOM 43 2HH2 ARG 2 -4.798 0.258 14.783 1.00 0.32 H ATOM 44 N THR 3 -4.220 -5.521 8.430 1.00 -0.42 N ATOM 45 H THR 3 -4.987 -5.169 9.007 1.00 0.27 H ATOM 46 CA THR 3 -4.574 -6.137 7.149 1.00 -0.04 C ATOM 47 HA THR 3 -3.689 -6.556 6.674 1.00 0.10 H ATOM 48 C THR 3 -5.253 -5.202 6.152 1.00 0.60 C ATOM 49 O THR 3 -5.663 -5.633 5.081 1.00 -0.57 O ATOM 50 CB THR 3 -5.582 -7.270 7.425 1.00 0.37 C ATOM 51 HB THR 3 -5.927 -7.702 6.486 1.00 0.00 H ATOM 52 OG1 THR 3 -6.682 -6.729 8.160 1.00 -0.68 O ATOM 53 HG1 THR 3 -7.358 -7.409 8.232 1.00 0.41 H ATOM 54 CG2 THR 3 -4.978 -8.369 8.292 1.00 -0.24 C ATOM 55 1HG2 THR 3 -5.686 -9.195 8.364 1.00 0.06 H ATOM 56 2HG2 THR 3 -4.057 -8.737 7.842 1.00 0.06 H ATOM 57 3HG2 THR 3 -4.772 -7.996 9.295 1.00 0.06 H ATOM 58 N GLY 4 -5.434 -3.944 6.524 1.00 -0.42 N ATOM 59 H GLY 4 -5.020 -3.601 7.394 1.00 0.27 H ATOM 60 CA GLY 4 -6.289 -3.036 5.774 1.00 -0.03 C ATOM 61 1HA GLY 4 -6.013 -2.009 6.012 1.00 0.07 H ATOM 62 2HA GLY 4 -6.156 -3.203 4.706 1.00 0.07 H ATOM 63 C GLY 4 -7.755 -3.241 6.124 1.00 0.60 C ATOM 64 O GLY 4 -8.645 -2.732 5.444 1.00 -0.57 O ATOM 65 N ASN 5 -8.019 -4.024 7.164 1.00 -0.42 N ATOM 66 H ASN 5 -7.245 -4.402 7.696 1.00 0.27 H ATOM 67 CA ASN 5 -9.388 -4.389 7.544 1.00 0.01 C ATOM 68 HA ASN 5 -10.042 -3.565 7.267 1.00 0.10 H ATOM 69 C ASN 5 -9.593 -4.657 9.043 1.00 0.60 C ATOM 70 O ASN 5 -10.676 -5.038 9.473 1.00 -0.57 O ATOM 71 CB ASN 5 -9.775 -5.642 6.741 1.00 -0.20 C ATOM 72 1HB ASN 5 -9.414 -5.534 5.720 1.00 0.08 H ATOM 73 2HB ASN 5 -9.300 -6.512 7.190 1.00 0.08 H ATOM 74 CG ASN 5 -11.265 -5.879 6.692 1.00 0.71 C ATOM 75 OD1 ASN 5 -11.735 -6.973 6.950 1.00 -0.59 O ATOM 76 ND2 ASN 5 -12.012 -4.882 6.298 1.00 -0.92 N ATOM 77 1HD2 ASN 5 -13.005 -5.020 6.266 1.00 0.42 H ATOM 78 2HD2 ASN 5 -11.588 -4.007 6.042 1.00 0.42 H ATOM 79 N ALA 6 -8.548 -4.473 9.835 1.00 -0.42 N ATOM 80 H ALA 6 -7.676 -4.106 9.453 1.00 0.27 H ATOM 81 CA ALA 6 -8.543 -4.749 11.271 1.00 0.03 C ATOM 82 HA ALA 6 -9.545 -4.636 11.685 1.00 0.08 H ATOM 83 C ALA 6 -7.609 -3.692 11.870 1.00 0.60 C ATOM 84 O ALA 6 -6.727 -3.986 12.694 1.00 -0.57 O ATOM 85 CB ALA 6 -8.019 -6.172 11.524 1.00 -0.18 C ATOM 86 1HB ALA 6 -8.687 -6.893 11.052 1.00 0.06 H ATOM 87 2HB ALA 6 -7.018 -6.275 11.104 1.00 0.06 H ATOM 88 3HB ALA 6 -7.984 -6.363 12.596 1.00 0.06 H ATOM 89 N ASP 7 -7.731 -2.491 11.326 1.00 -0.52 N ATOM 90 H ASP 7 -8.589 -2.233 10.860 1.00 0.29 H ATOM 91 CA ASP 7 -6.666 -1.487 11.307 1.00 0.04 C ATOM 92 HA ASP 7 -5.814 -1.841 11.866 1.00 0.09 H ATOM 93 C ASP 7 -7.198 -0.226 11.968 1.00 0.54 C ATOM 94 O ASP 7 -6.416 0.523 12.592 1.00 -0.58 O ATOM 95 OXT ASP 7 -8.434 -0.073 11.924 1.00 -0.58 O ATOM 96 CB ASP 7 -6.195 -1.214 9.872 1.00 -0.03 C ATOM 97 1HB ASP 7 -7.060 -0.987 9.247 1.00 -0.01 H ATOM 98 2HB ASP 7 -5.535 -0.347 9.883 1.00 -0.01 H ATOM 99 CG ASP 7 -5.439 -2.387 9.267 1.00 0.80 C ATOM 100 OD1 ASP 7 -4.326 -2.214 8.735 1.00 -0.55 O ATOM 101 OD2 ASP 7 -5.955 -3.532 9.281 1.00 -0.55 O TER 102 ASP 7 END
SEQUENCE	MRTGNAD
HELICITY	0.00	INSTAB. INDEX	-38.59	FLEXIBILITY	17.09
a HYD. MOM.	9.43	b HYD. MOM.	2.08	c HYD. MOM	1.52
a MEAN HYD. MOM.	1.35	b MEAN HYD. MOM.	0.30	c MEAN HYD. MOM.	0.22
CHARGE pH5	0.07	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.24	ISOELECTRIC POINT	5.84	BOMAN INDEX	3.96
ΔG	8	CPP	-0,26	MLP	-6,26
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Proteobacteria	CLASS	Gammaproteobacteria	ORDER	Enterobacteriales
FAMILY	Enterobacteriaceae	GENUS	Escherichia	SPECIES	Escherichia coli
DATE	2009
TITLE PAPER	Synthetic Microcin C Analogs Targeting Different Aminoacyl-tRNA Synthetases