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ID	84	NAME	Neurotensin   Blast NCBI-PROT
LENGTH	10	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\ERPPGFSPFR.pdb REMARK YASARA Written on: Wed May 14 14:53:49 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 166 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 10 GLU ARG PRO PRO GLY PHE SER PRO PHE ARG ATOM 1 N GLU 1 -4.953 -14.242 9.934 1.00 -0.52 N ATOM 2 1H GLU 1 -4.285 -14.488 9.211 1.00 -0.52 H ATOM 3 2H GLU 1 -5.490 -15.059 10.185 1.00 -0.52 H ATOM 4 3H GLU 1 -5.576 -13.523 9.596 1.00 0.29 H ATOM 5 CA GLU 1 -4.214 -13.742 11.130 1.00 0.04 C ATOM 6 HA GLU 1 -3.509 -14.514 11.445 1.00 0.11 H ATOM 7 C GLU 1 -5.167 -13.481 12.271 1.00 0.54 C ATOM 8 O GLU 1 -6.360 -13.382 12.035 1.00 -0.58 O ATOM 9 CB GLU 1 -3.436 -12.461 10.793 1.00 0.06 C ATOM 10 1HB GLU 1 -4.132 -11.658 10.553 1.00 -0.02 H ATOM 11 2HB GLU 1 -2.863 -12.174 11.674 1.00 -0.02 H ATOM 12 CG GLU 1 -2.477 -12.651 9.635 1.00 0.01 C ATOM 13 1HG GLU 1 -3.051 -12.673 8.707 1.00 -0.04 H ATOM 14 2HG GLU 1 -1.768 -11.824 9.596 1.00 -0.04 H ATOM 15 CD GLU 1 -1.759 -13.972 9.784 1.00 0.81 C ATOM 16 OE1 GLU 1 -1.064 -14.157 10.799 1.00 -0.57 O ATOM 17 OE2 GLU 1 -2.133 -14.898 9.036 1.00 -0.57 O ATOM 18 N ARG 2 -4.659 -13.379 13.493 1.00 -0.35 N ATOM 19 H ARG 2 -3.662 -13.490 13.632 1.00 0.28 H ATOM 20 CA ARG 2 -5.497 -13.097 14.667 1.00 -0.26 C ATOM 21 HA ARG 2 -6.276 -13.858 14.708 1.00 0.16 H ATOM 22 C ARG 2 -6.244 -11.751 14.675 1.00 0.73 C ATOM 23 O ARG 2 -7.441 -11.744 14.954 1.00 -0.59 O ATOM 24 CB ARG 2 -4.627 -13.229 15.934 1.00 -0.00 C ATOM 25 1HB ARG 2 -4.267 -14.255 16.000 1.00 0.03 H ATOM 26 2HB ARG 2 -3.758 -12.583 15.819 1.00 0.03 H ATOM 27 CG ARG 2 -5.295 -12.854 17.260 1.00 0.04 C ATOM 28 1HG ARG 2 -4.528 -12.806 18.033 1.00 0.03 H ATOM 29 2HG ARG 2 -5.744 -11.866 17.177 1.00 0.03 H ATOM 30 CD ARG 2 -6.362 -13.838 17.701 1.00 0.05 C ATOM 31 1HD ARG 2 -7.117 -13.935 16.920 1.00 0.07 H ATOM 32 2HD ARG 2 -5.902 -14.808 17.893 1.00 0.07 H ATOM 33 NE ARG 2 -6.993 -13.331 18.921 1.00 -0.53 N ATOM 34 HE ARG 2 -6.759 -12.371 19.199 1.00 0.35 H ATOM 35 CZ ARG 2 -7.851 -13.961 19.706 1.00 0.81 C ATOM 36 NH1 ARG 2 -8.290 -13.320 20.747 1.00 -0.86 N ATOM 37 1HH1 ARG 2 -7.964 -12.355 20.876 1.00 0.32 H ATOM 38 2HH1 ARG 2 -8.914 -13.745 21.401 1.00 0.32 H ATOM 39 NH2 ARG 2 -8.269 -15.186 19.503 1.00 -0.86 N ATOM 40 1HH2 ARG 2 -7.941 -15.685 18.696 1.00 0.32 H ATOM 41 2HH2 ARG 2 -8.912 -15.612 20.141 1.00 0.32 H ATOM 42 N PRO 3 -5.571 -10.610 14.414 1.00 -0.25 N ATOM 43 CA PRO 3 -6.352 -9.392 14.676 1.00 -0.03 C ATOM 44 HA PRO 3 -6.780 -9.461 15.679 1.00 0.06 H ATOM 45 C PRO 3 -7.499 -8.960 13.743 1.00 0.59 C ATOM 46 O PRO 3 -8.134 -7.930 13.991 1.00 -0.57 O ATOM 47 CB PRO 3 -5.260 -8.323 14.721 1.00 -0.01 C ATOM 48 1HB PRO 3 -5.642 -7.346 14.425 1.00 0.03 H ATOM 49 2HB PRO 3 -4.846 -8.280 15.728 1.00 0.03 H ATOM 50 CG PRO 3 -4.230 -8.784 13.805 1.00 0.02 C ATOM 51 1HG PRO 3 -4.512 -8.574 12.778 1.00 0.02 H ATOM 52 2HG PRO 3 -3.271 -8.321 14.035 1.00 0.02 H ATOM 53 CD PRO 3 -4.180 -10.263 14.048 1.00 0.02 C ATOM 54 1HD PRO 3 -3.869 -10.783 13.144 1.00 0.04 H ATOM 55 2HD PRO 3 -3.506 -10.487 14.876 1.00 0.04 H ATOM 56 N PRO 4 -7.756 -9.619 12.595 1.00 -0.25 N ATOM 57 CA PRO 4 -6.889 -9.993 11.467 1.00 -0.03 C ATOM 58 HA PRO 4 -6.098 -10.670 11.780 1.00 0.06 H ATOM 59 C PRO 4 -6.274 -8.751 10.823 1.00 0.59 C ATOM 60 O PRO 4 -5.375 -8.846 10.004 1.00 -0.57 O ATOM 61 CB PRO 4 -7.852 -10.707 10.514 1.00 -0.01 C ATOM 62 1HB PRO 4 -7.551 -10.565 9.476 1.00 0.03 H ATOM 63 2HB PRO 4 -7.906 -11.767 10.753 1.00 0.03 H ATOM 64 CG PRO 4 -9.156 -10.072 10.781 1.00 0.02 C ATOM 65 1HG PRO 4 -9.202 -9.096 10.298 1.00 0.02 H ATOM 66 2HG PRO 4 -9.976 -10.707 10.446 1.00 0.02 H ATOM 67 CD PRO 4 -9.167 -9.921 12.281 1.00 0.02 C ATOM 68 1HD PRO 4 -9.831 -9.109 12.578 1.00 0.04 H ATOM 69 2HD PRO 4 -9.464 -10.858 12.758 1.00 0.04 H ATOM 70 N GLY 5 -6.725 -7.586 11.272 1.00 -0.42 N ATOM 71 H GLY 5 -7.453 -7.587 11.973 1.00 0.27 H ATOM 72 CA GLY 5 -6.158 -6.307 10.881 1.00 -0.03 C ATOM 73 1HA GLY 5 -5.121 -6.251 11.212 1.00 0.07 H ATOM 74 2HA GLY 5 -6.198 -6.199 9.796 1.00 0.07 H ATOM 75 C GLY 5 -6.949 -5.189 11.530 1.00 0.60 C ATOM 76 O GLY 5 -6.414 -4.156 11.901 1.00 -0.57 O ATOM 77 N PHE 6 -8.242 -5.428 11.713 1.00 -0.42 N ATOM 78 H PHE 6 -8.641 -6.291 11.387 1.00 0.27 H ATOM 79 CA PHE 6 -9.150 -4.440 12.300 1.00 -0.00 C ATOM 80 HA PHE 6 -9.056 -3.515 11.729 1.00 0.10 H ATOM 81 C PHE 6 -8.907 -4.109 13.771 1.00 0.60 C ATOM 82 O PHE 6 -9.323 -3.062 14.259 1.00 -0.57 O ATOM 83 CB PHE 6 -10.582 -4.960 12.168 1.00 -0.03 C ATOM 84 1HB PHE 6 -10.712 -5.797 12.854 1.00 0.03 H ATOM 85 2HB PHE 6 -11.274 -4.169 12.458 1.00 0.03 H ATOM 86 CG PHE 6 -10.921 -5.434 10.782 1.00 0.01 C ATOM 87 CD1 PHE 6 -11.140 -6.802 10.535 1.00 -0.13 C ATOM 88 HD1 PHE 6 -11.103 -7.510 11.350 1.00 0.13 H ATOM 89 CD2 PHE 6 -11.008 -4.522 9.714 1.00 -0.13 C ATOM 90 HD2 PHE 6 -10.852 -3.467 9.891 1.00 0.13 H ATOM 91 CE1 PHE 6 -11.423 -7.267 9.226 1.00 -0.17 C ATOM 92 HE1 PHE 6 -11.596 -8.319 9.048 1.00 0.14 H ATOM 93 CE2 PHE 6 -11.285 -4.972 8.399 1.00 -0.17 C ATOM 94 HE2 PHE 6 -11.344 -4.263 7.586 1.00 0.14 H ATOM 95 CZ PHE 6 -11.490 -6.349 8.155 1.00 -0.11 C ATOM 96 HZ PHE 6 -11.703 -6.696 7.154 1.00 0.13 H ATOM 97 N SER 7 -8.290 -5.019 14.508 1.00 -0.42 N ATOM 98 H SER 7 -8.038 -5.914 14.105 1.00 0.27 H ATOM 99 CA SER 7 -7.994 -4.793 15.921 1.00 -0.03 C ATOM 100 HA SER 7 -7.963 -3.724 16.121 1.00 0.08 H ATOM 101 C SER 7 -6.672 -5.415 16.364 1.00 0.60 C ATOM 102 O SER 7 -6.685 -6.497 16.939 1.00 -0.57 O ATOM 103 CB SER 7 -9.109 -5.394 16.768 1.00 0.21 C ATOM 104 1HB SER 7 -9.160 -6.470 16.594 1.00 0.04 H ATOM 105 2HB SER 7 -8.886 -5.209 17.818 1.00 0.04 H ATOM 106 OG SER 7 -10.361 -4.809 16.443 1.00 -0.65 O ATOM 107 HG SER 7 -10.191 -4.055 15.857 1.00 0.43 H ATOM 108 N PRO 8 -5.521 -4.749 16.140 1.00 -0.25 N ATOM 109 CA PRO 8 -4.197 -5.281 16.519 1.00 -0.03 C ATOM 110 HA PRO 8 -4.088 -6.297 16.154 1.00 0.06 H ATOM 111 C PRO 8 -3.884 -5.292 18.026 1.00 0.59 C ATOM 112 O PRO 8 -2.743 -5.152 18.447 1.00 -0.57 O ATOM 113 CB PRO 8 -3.248 -4.369 15.735 1.00 -0.01 C ATOM 114 1HB PRO 8 -2.270 -4.293 16.208 1.00 0.03 H ATOM 115 2HB PRO 8 -3.138 -4.729 14.712 1.00 0.03 H ATOM 116 CG PRO 8 -3.938 -3.072 15.736 1.00 0.02 C ATOM 117 1HG PRO 8 -3.824 -2.588 16.707 1.00 0.02 H ATOM 118 2HG PRO 8 -3.557 -2.429 14.942 1.00 0.02 H ATOM 119 CD PRO 8 -5.377 -3.434 15.483 1.00 0.02 C ATOM 120 1HD PRO 8 -6.037 -2.690 15.929 1.00 0.04 H ATOM 121 2HD PRO 8 -5.565 -3.525 14.412 1.00 0.04 H ATOM 122 N PHE 9 -4.920 -5.445 18.836 1.00 -0.42 N ATOM 123 H PHE 9 -5.828 -5.605 18.421 1.00 0.27 H ATOM 124 CA PHE 9 -4.852 -5.413 20.291 1.00 -0.00 C ATOM 125 HA PHE 9 -3.845 -5.667 20.624 1.00 0.10 H ATOM 126 C PHE 9 -5.827 -6.456 20.853 1.00 0.60 C ATOM 127 O PHE 9 -6.271 -6.361 21.996 1.00 -0.57 O ATOM 128 CB PHE 9 -5.202 -3.994 20.767 1.00 -0.03 C ATOM 129 1HB PHE 9 -5.293 -3.987 21.853 1.00 0.03 H ATOM 130 2HB PHE 9 -4.379 -3.335 20.494 1.00 0.03 H ATOM 131 CG PHE 9 -6.465 -3.435 20.151 1.00 0.01 C ATOM 132 CD1 PHE 9 -7.721 -3.691 20.727 1.00 -0.13 C ATOM 133 HD1 PHE 9 -7.784 -4.277 21.634 1.00 0.13 H ATOM 134 CD2 PHE 9 -6.397 -2.635 18.994 1.00 -0.13 C ATOM 135 HD2 PHE 9 -5.436 -2.406 18.557 1.00 0.13 H ATOM 136 CE1 PHE 9 -8.909 -3.187 20.138 1.00 -0.17 C ATOM 137 HE1 PHE 9 -9.866 -3.387 20.595 1.00 0.14 H ATOM 138 CE2 PHE 9 -7.574 -2.120 18.394 1.00 -0.17 C ATOM 139 HE2 PHE 9 -7.508 -1.506 17.507 1.00 0.14 H ATOM 140 CZ PHE 9 -8.834 -2.403 18.965 1.00 -0.11 C ATOM 141 HZ PHE 9 -9.734 -2.013 18.513 1.00 0.13 H ATOM 142 N ARG 10 -6.207 -7.419 20.019 1.00 -0.35 N ATOM 143 H ARG 10 -5.781 -7.504 19.102 1.00 0.28 H ATOM 144 CA ARG 10 -7.189 -8.453 20.356 1.00 -0.26 C ATOM 145 HA ARG 10 -7.224 -8.623 21.432 1.00 0.16 H ATOM 146 C ARG 10 -6.726 -9.725 19.680 1.00 0.73 C ATOM 147 O ARG 10 -7.071 -10.817 20.175 1.00 -0.59 O ATOM 148 OXT ARG 10 -6.046 -9.612 18.643 1.00 -0.59 O ATOM 149 CB ARG 10 -8.579 -8.090 19.824 1.00 -0.00 C ATOM 150 1HB ARG 10 -8.467 -7.685 18.820 1.00 0.03 H ATOM 151 2HB ARG 10 -9.165 -9.007 19.759 1.00 0.03 H ATOM 152 CG ARG 10 -9.342 -7.097 20.694 1.00 0.04 C ATOM 153 1HG ARG 10 -9.619 -7.584 21.629 1.00 0.03 H ATOM 154 2HG ARG 10 -8.701 -6.251 20.918 1.00 0.03 H ATOM 155 CD ARG 10 -10.593 -6.581 19.999 1.00 0.05 C ATOM 156 1HD ARG 10 -11.080 -5.849 20.643 1.00 0.07 H ATOM 157 2HD ARG 10 -10.291 -6.083 19.085 1.00 0.07 H ATOM 158 NE ARG 10 -11.545 -7.653 19.674 1.00 -0.53 N ATOM 159 HE ARG 10 -11.566 -8.430 20.312 1.00 0.35 H ATOM 160 CZ ARG 10 -12.360 -7.691 18.628 1.00 0.81 C ATOM 161 NH1 ARG 10 -13.196 -8.687 18.531 1.00 -0.86 N ATOM 162 1HH1 ARG 10 -13.220 -9.397 19.242 1.00 0.32 H ATOM 163 2HH1 ARG 10 -13.810 -8.750 17.739 1.00 0.32 H ATOM 164 NH2 ARG 10 -12.373 -6.797 17.671 1.00 -0.86 N ATOM 165 1HH2 ARG 10 -11.703 -6.038 17.677 1.00 0.32 H ATOM 166 2HH2 ARG 10 -13.030 -6.868 16.917 1.00 0.32 H TER 167 ARG 10 END
SEQUENCE	ERPPGFSPFR
HELICITY	0.00	INSTAB. INDEX	110.72	FLEXIBILITY	9.69
a HYD. MOM.	9.20	b HYD. MOM.	3.10	c HYD. MOM	1.34
a MEAN HYD. MOM.	0.92	b MEAN HYD. MOM.	0.31	c MEAN HYD. MOM.	0.13
CHARGE pH5	1.15	CHARGE pH7	1.00	CHARGE pH9	0.83
Δ CHARGE pH5-pH9	0.32	ISOELECTRIC POINT	9.70	BOMAN INDEX	3.32
ΔG	6	CPP	-0,08	MLP	-3,94
MOLECULAR VOLUME		POLARITY
MIC E. coli	100	MIC P. aeruginosa	100	MIC S. typhimurium
MIC S. aureus	25	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2002
TITLE PAPER	Direct antimicrobial properties of substance P