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ID	12	NAME	Carnocin UI49   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\GSEIQPR.pdb REMARK YASARA Written on: Wed May 14 14:36:56 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 110 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 7 GLY SER GLU ILE GLN PRO ARG ATOM 1 N GLY 1 -3.028 -0.876 15.332 1.00 -0.42 N ATOM 2 1H GLY 1 -2.292 -0.209 15.506 1.00 -0.42 H ATOM 3 2H GLY 1 -2.781 -1.771 15.729 1.00 -0.42 H ATOM 4 3H GLY 1 -3.156 -0.982 14.335 1.00 0.27 H ATOM 5 CA GLY 1 -4.288 -0.400 15.937 1.00 -0.03 C ATOM 6 1HA GLY 1 -4.149 -0.254 17.006 1.00 0.07 H ATOM 7 2HA GLY 1 -4.566 0.544 15.470 1.00 0.07 H ATOM 8 C GLY 1 -5.392 -1.399 15.712 1.00 0.60 C ATOM 9 O GLY 1 -5.085 -2.557 15.474 1.00 -0.57 O ATOM 10 N SER 2 -6.656 -1.008 15.790 1.00 -0.42 N ATOM 11 H SER 2 -6.888 -0.040 15.966 1.00 0.27 H ATOM 12 CA SER 2 -7.765 -1.953 15.649 1.00 -0.03 C ATOM 13 HA SER 2 -7.625 -2.765 16.364 1.00 0.08 H ATOM 14 C SER 2 -7.897 -2.556 14.253 1.00 0.60 C ATOM 15 O SER 2 -8.459 -3.631 14.074 1.00 -0.57 O ATOM 16 CB SER 2 -9.059 -1.220 15.986 1.00 0.21 C ATOM 17 1HB SER 2 -9.306 -0.533 15.175 1.00 0.04 H ATOM 18 2HB SER 2 -9.869 -1.940 16.111 1.00 0.04 H ATOM 19 OG SER 2 -8.868 -0.475 17.178 1.00 -0.65 O ATOM 20 HG SER 2 -9.722 -0.141 17.475 1.00 0.43 H ATOM 21 N GLU 3 -7.350 -1.865 13.266 1.00 -0.52 N ATOM 22 H GLU 3 -6.864 -0.992 13.474 1.00 0.29 H ATOM 23 CA GLU 3 -7.394 -2.279 11.863 1.00 0.04 C ATOM 24 HA GLU 3 -8.425 -2.534 11.617 1.00 0.11 H ATOM 25 C GLU 3 -6.530 -3.500 11.552 1.00 0.54 C ATOM 26 O GLU 3 -6.646 -4.084 10.482 1.00 -0.58 O ATOM 27 CB GLU 3 -6.968 -1.098 10.974 1.00 0.06 C ATOM 28 1HB GLU 3 -7.279 -1.310 9.951 1.00 -0.02 H ATOM 29 2HB GLU 3 -7.513 -0.215 11.310 1.00 -0.02 H ATOM 30 CG GLU 3 -5.463 -0.761 10.945 1.00 0.01 C ATOM 31 1HG GLU 3 -4.927 -1.596 10.490 1.00 -0.04 H ATOM 32 2HG GLU 3 -5.313 0.118 10.318 1.00 -0.04 H ATOM 33 CD GLU 3 -4.868 -0.501 12.322 1.00 0.81 C ATOM 34 OE1 GLU 3 -5.453 0.262 13.128 1.00 -0.57 O ATOM 35 OE2 GLU 3 -3.862 -1.151 12.672 1.00 -0.57 O ATOM 36 N ILE 4 -5.668 -3.902 12.478 1.00 -0.42 N ATOM 37 H ILE 4 -5.562 -3.376 13.337 1.00 0.27 H ATOM 38 CA ILE 4 -4.828 -5.080 12.262 1.00 -0.06 C ATOM 39 HA ILE 4 -4.521 -5.080 11.221 1.00 0.09 H ATOM 40 C ILE 4 -5.620 -6.366 12.520 1.00 0.60 C ATOM 41 O ILE 4 -5.184 -7.460 12.181 1.00 -0.57 O ATOM 42 CB ILE 4 -3.536 -5.002 13.131 1.00 0.13 C ATOM 43 HB ILE 4 -3.229 -3.956 13.156 1.00 0.02 H ATOM 44 CG1 ILE 4 -2.402 -5.791 12.450 1.00 -0.04 C ATOM 45 1HG1 ILE 4 -2.627 -6.856 12.514 1.00 0.02 H ATOM 46 2HG1 ILE 4 -2.381 -5.515 11.395 1.00 0.02 H ATOM 47 CG2 ILE 4 -3.782 -5.466 14.592 1.00 -0.32 C ATOM 48 1HG2 ILE 4 -2.929 -5.201 15.215 1.00 0.09 H ATOM 49 2HG2 ILE 4 -4.669 -4.986 15.000 1.00 0.09 H ATOM 50 3HG2 ILE 4 -3.920 -6.550 14.627 1.00 0.09 H ATOM 51 CD1 ILE 4 -1.001 -5.556 13.027 1.00 -0.07 C ATOM 52 1HD1 ILE 4 -0.761 -4.492 12.999 1.00 0.02 H ATOM 53 2HD1 ILE 4 -0.951 -5.916 14.054 1.00 0.02 H ATOM 54 3HD1 ILE 4 -0.270 -6.101 12.429 1.00 0.02 H ATOM 55 N GLN 5 -6.780 -6.229 13.148 1.00 -0.42 N ATOM 56 H GLN 5 -7.122 -5.305 13.370 1.00 0.27 H ATOM 57 CA GLN 5 -7.585 -7.389 13.526 1.00 -0.00 C ATOM 58 HA GLN 5 -6.907 -8.149 13.916 1.00 0.09 H ATOM 59 C GLN 5 -8.336 -8.026 12.346 1.00 0.60 C ATOM 60 O GLN 5 -8.289 -9.249 12.205 1.00 -0.57 O ATOM 61 CB GLN 5 -8.558 -7.009 14.647 1.00 -0.00 C ATOM 62 1HB GLN 5 -9.241 -6.254 14.266 1.00 0.02 H ATOM 63 2HB GLN 5 -9.141 -7.888 14.923 1.00 0.02 H ATOM 64 CG GLN 5 -7.875 -6.458 15.902 1.00 -0.06 C ATOM 65 1HG GLN 5 -7.246 -7.234 16.337 1.00 0.04 H ATOM 66 2HG GLN 5 -7.248 -5.609 15.634 1.00 0.04 H ATOM 67 CD GLN 5 -8.870 -5.988 16.938 1.00 0.69 C ATOM 68 OE1 GLN 5 -8.923 -6.489 18.044 1.00 -0.61 O ATOM 69 NE2 GLN 5 -9.660 -5.006 16.590 1.00 -0.94 N ATOM 70 1HE2 GLN 5 -10.344 -4.691 17.254 1.00 0.43 H ATOM 71 2HE2 GLN 5 -9.576 -4.599 15.668 1.00 0.43 H ATOM 72 N PRO 6 -9.021 -7.241 11.484 1.00 -0.25 N ATOM 73 CA PRO 6 -9.278 -7.921 10.206 1.00 -0.03 C ATOM 74 HA PRO 6 -9.737 -8.898 10.358 1.00 0.06 H ATOM 75 C PRO 6 -7.980 -8.057 9.419 1.00 0.59 C ATOM 76 O PRO 6 -7.096 -7.208 9.537 1.00 -0.57 O ATOM 77 CB PRO 6 -10.263 -6.980 9.508 1.00 -0.01 C ATOM 78 1HB PRO 6 -10.153 -7.036 8.424 1.00 0.03 H ATOM 79 2HB PRO 6 -11.283 -7.225 9.803 1.00 0.03 H ATOM 80 CG PRO 6 -9.893 -5.635 10.013 1.00 0.02 C ATOM 81 1HG PRO 6 -9.014 -5.267 9.481 1.00 0.02 H ATOM 82 2HG PRO 6 -10.722 -4.935 9.906 1.00 0.02 H ATOM 83 CD PRO 6 -9.562 -5.864 11.463 1.00 0.02 C ATOM 84 1HD PRO 6 -8.821 -5.142 11.801 1.00 0.04 H ATOM 85 2HD PRO 6 -10.463 -5.808 12.074 1.00 0.04 H ATOM 86 N ARG 7 -7.864 -9.099 8.608 1.00 -0.35 N ATOM 87 H ARG 7 -8.643 -9.740 8.473 1.00 0.28 H ATOM 88 CA ARG 7 -6.708 -9.370 7.755 1.00 -0.26 C ATOM 89 HA ARG 7 -6.208 -8.458 7.444 1.00 0.16 H ATOM 90 C ARG 7 -7.390 -9.999 6.559 1.00 0.73 C ATOM 91 O ARG 7 -6.764 -10.202 5.505 1.00 -0.59 O ATOM 92 OXT ARG 7 -8.596 -10.283 6.749 1.00 -0.59 O ATOM 93 CB ARG 7 -5.727 -10.379 8.379 1.00 -0.00 C ATOM 94 1HB ARG 7 -6.311 -11.233 8.722 1.00 0.03 H ATOM 95 2HB ARG 7 -5.059 -10.732 7.593 1.00 0.03 H ATOM 96 CG ARG 7 -4.857 -9.898 9.555 1.00 0.04 C ATOM 97 1HG ARG 7 -5.496 -9.489 10.337 1.00 0.03 H ATOM 98 2HG ARG 7 -4.334 -10.763 9.960 1.00 0.03 H ATOM 99 CD ARG 7 -3.804 -8.853 9.155 1.00 0.05 C ATOM 100 1HD ARG 7 -2.991 -8.874 9.881 1.00 0.07 H ATOM 101 2HD ARG 7 -3.411 -9.100 8.168 1.00 0.07 H ATOM 102 NE ARG 7 -4.386 -7.509 9.134 1.00 -0.53 N ATOM 103 HE ARG 7 -5.326 -7.436 9.529 1.00 0.35 H ATOM 104 CZ ARG 7 -3.874 -6.404 8.628 1.00 0.81 C ATOM 105 NH1 ARG 7 -4.605 -5.327 8.644 1.00 -0.86 N ATOM 106 1HH1 ARG 7 -5.533 -5.360 9.070 1.00 0.32 H ATOM 107 2HH1 ARG 7 -4.273 -4.470 8.254 1.00 0.32 H ATOM 108 NH2 ARG 7 -2.678 -6.335 8.102 1.00 -0.86 N ATOM 109 1HH2 ARG 7 -2.117 -7.167 8.067 1.00 0.32 H ATOM 110 2HH2 ARG 7 -2.342 -5.468 7.733 1.00 0.32 H TER 111 ARG 7 END
SEQUENCE	GSEIQPR
HELICITY	0.00	INSTAB. INDEX	80.34	FLEXIBILITY	12.34
a HYD. MOM.	11.84	b HYD. MOM.	6.72	c HYD. MOM	1.60
a MEAN HYD. MOM.	1.69	b MEAN HYD. MOM.	0.96	c MEAN HYD. MOM.	0.23
CHARGE pH5	0.15	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.32	ISOELECTRIC POINT	6.00	BOMAN INDEX	3.54
ΔG	7	CPP	-0,26	MLP	-5,17
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	Firmicutes	CLASS	Bacilli	ORDER	Lactobacillales
FAMILY	Carnobacteriaceae	GENUS	Carnobacterium	SPECIES	Carnobacterium sp. (strain UI49)
DATE	1992
TITLE PAPER	Purification and characterization of a new bacteriocin isolated from a Carnobacterium sp.