==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 19-DEC-03 1RY3 . COMPND 2 MOLECULE: BACTERIOCIN CARNOBACTERIOCIN B2; . SOURCE 2 ORGANISM_SCIENTIFIC: CARNOBACTERIUM MALTAROMATICUM; . AUTHOR T.SPRULES,K.E.KAWULKA,A.C.GIBBS,D.S.WISHART,J.C.VEDERAS . 64 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 5 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -18 A M 0 0 184 0, 0.0 2,-1.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 100.7 -5.2 -14.2 -14.9 2 -17 A N + 0 0 163 4,-0.1 2,-0.2 5,-0.0 0, 0.0 -0.338 360.0 149.0 -88.7 53.9 -8.4 -15.6 -13.5 3 -16 A S > - 0 0 49 -2,-1.2 4,-0.9 1,-0.1 0, 0.0 -0.551 45.0-151.3 -88.1 154.2 -6.8 -16.4 -10.1 4 -15 A V H > S+ 0 0 107 -2,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.710 99.1 48.8 -95.4 -23.8 -8.6 -16.4 -6.8 5 -14 A K H > S+ 0 0 174 2,-0.2 4,-0.8 3,-0.1 -1,-0.1 0.814 115.7 44.4 -82.5 -32.2 -5.5 -15.6 -4.8 6 -13 A E H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.883 116.8 44.9 -77.1 -40.9 -4.6 -12.7 -7.1 7 -12 A L H X S+ 0 0 72 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.714 102.9 68.2 -74.7 -21.4 -8.2 -11.5 -7.3 8 -11 A N H X S+ 0 0 95 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.867 102.5 44.7 -65.6 -36.8 -8.5 -11.8 -3.5 9 -10 A V H X S+ 0 0 70 -4,-0.8 4,-1.8 -3,-0.3 -2,-0.2 0.935 113.7 47.5 -72.6 -48.6 -6.0 -9.0 -3.0 10 -9 A K H X S+ 0 0 109 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.881 112.1 53.1 -60.3 -39.2 -7.5 -6.7 -5.6 11 -8 A E H < S+ 0 0 126 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.991 110.2 42.9 -59.1 -66.0 -10.9 -7.3 -4.1 12 -7 A M H >X S+ 0 0 115 -4,-1.8 4,-1.7 1,-0.2 3,-0.9 0.804 107.8 67.3 -51.0 -31.6 -10.1 -6.5 -0.5 13 -6 A K H 3< S+ 0 0 118 -4,-1.8 4,-0.4 1,-0.3 3,-0.2 0.978 112.2 26.8 -54.1 -65.2 -8.2 -3.5 -1.9 14 -5 A Q T 3< S+ 0 0 143 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.197 113.0 76.8 -85.4 17.7 -11.2 -1.6 -3.2 15 -4 A L T <4 S+ 0 0 112 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.907 90.3 46.8 -89.5 -54.5 -13.4 -3.3 -0.6 16 -3 A H S < S- 0 0 192 -4,-1.7 2,-0.4 -3,-0.2 -2,-0.1 0.713 115.1-123.1 -61.3 -20.6 -12.5 -1.4 2.5 17 -2 A G - 0 0 47 -4,-0.4 2,-0.3 -5,-0.2 -1,-0.2 -0.912 28.2 -84.4 117.4-142.5 -12.9 1.8 0.4 18 -1 A G - 0 0 76 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.0 -0.979 21.5-131.2-167.8 156.8 -10.4 4.6 -0.2 19 1 A V - 0 0 137 -2,-0.3 2,-0.2 3,-0.0 -2,-0.0 -0.732 3.8-155.9-113.1 163.0 -8.9 7.8 1.1 20 2 A N S S- 0 0 159 -2,-0.3 3,-0.1 0, 0.0 -2,-0.0 -0.627 74.8 -43.1-140.1 78.1 -8.3 11.2 -0.5 21 3 A Y > - 0 0 207 -2,-0.2 2,-1.0 1,-0.2 3,-0.5 0.998 64.9-175.5 63.2 68.0 -5.6 13.1 1.2 22 4 A G T 3 + 0 0 53 1,-0.2 3,-0.3 2,-0.0 -1,-0.2 -0.332 45.4 116.3 -91.7 53.5 -6.5 12.4 4.8 23 5 A N T 3 + 0 0 108 -2,-1.0 2,-0.8 1,-0.2 -1,-0.2 0.642 60.3 71.9 -92.1 -18.3 -3.8 14.7 6.3 24 6 A G S < S+ 0 0 77 -3,-0.5 -1,-0.2 2,-0.0 2,-0.1 -0.358 70.2 149.5 -95.1 54.7 -6.3 17.0 7.9 25 7 A V - 0 0 100 -2,-0.8 2,-0.2 -3,-0.3 7,-0.0 -0.411 26.3-160.0 -84.0 162.3 -7.4 14.7 10.7 26 8 A S - 0 0 84 -2,-0.1 2,-0.6 5,-0.1 4,-0.1 -0.769 33.4 -71.9-133.5 178.7 -8.6 15.8 14.1 27 9 A a + 0 0 88 -2,-0.2 2,-0.2 5,-0.1 4,-0.2 -0.651 63.9 142.4 -78.9 117.0 -9.1 14.4 17.6 28 10 A S S S- 0 0 85 2,-1.1 -2,-0.1 -2,-0.6 3,-0.0 -0.783 76.9 -30.2-160.9 111.3 -12.0 12.0 17.7 29 11 A K S S+ 0 0 202 -2,-0.2 2,-0.3 1,-0.0 -2,-0.1 0.278 132.2 44.3 65.3 -14.7 -12.4 8.7 19.7 30 12 A T S S- 0 0 88 -4,-0.1 -2,-1.1 1,-0.0 -4,-0.0 -0.968 104.2 -67.4-152.0 164.3 -8.6 8.4 19.3 31 13 A K - 0 0 170 -2,-0.3 2,-0.3 -4,-0.2 -3,-0.1 -0.149 37.4-136.3 -53.2 147.7 -5.4 10.5 19.6 32 14 A a + 0 0 63 -5,-0.1 2,-0.3 -7,-0.0 -5,-0.1 -0.340 67.8 104.9-104.1 50.3 -5.0 13.2 17.0 33 15 A S - 0 0 90 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.0 -0.965 52.1-152.7-131.8 147.7 -1.3 12.5 16.2 34 16 A V - 0 0 119 -2,-0.3 2,-0.6 2,-0.0 3,-0.1 -0.853 17.1-135.7-119.4 155.4 0.5 10.8 13.4 35 17 A N > + 0 0 91 -2,-0.3 4,-0.6 1,-0.2 5,-0.2 -0.515 43.8 148.8-106.7 62.3 3.8 8.9 13.1 36 18 A W T 4 S+ 0 0 177 -2,-0.6 -1,-0.2 3,-0.1 -2,-0.0 0.317 73.0 47.0 -77.2 9.9 5.1 10.4 9.9 37 19 A G T > S+ 0 0 41 3,-0.1 4,-1.3 -3,-0.1 3,-0.4 0.757 112.5 35.5-112.6 -66.4 8.7 9.9 11.3 38 20 A Q H >> S+ 0 0 140 1,-0.3 3,-1.6 2,-0.2 4,-0.9 0.981 126.5 39.0 -54.9 -65.1 9.3 6.5 12.7 39 21 A A H 3X S+ 0 0 32 -4,-0.6 4,-2.0 1,-0.3 -1,-0.3 0.573 104.1 75.0 -65.1 -3.0 7.1 4.6 10.2 40 22 A F H 3> S+ 0 0 97 -3,-0.4 4,-0.9 1,-0.2 -1,-0.3 0.904 98.9 42.2 -72.1 -40.2 8.5 7.0 7.7 41 23 A Q H X S+ 0 0 136 -4,-0.9 4,-2.4 2,-0.2 3,-0.7 0.957 102.2 44.8 -65.9 -53.1 9.5 1.9 7.9 43 25 A R H 3X S+ 0 0 214 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.795 108.1 61.0 -62.0 -28.7 8.2 2.5 4.4 44 26 A Y H 3X S+ 0 0 171 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.852 109.4 40.9 -67.1 -35.3 11.7 3.3 3.3 45 27 A T H X S+ 0 0 64 -4,-2.6 4,-3.4 2,-0.2 3,-1.2 0.986 113.3 35.1 -54.7 -74.9 15.7 -5.1 -4.8 53 35 A S H 3<>S+ 0 0 41 -4,-1.3 5,-2.3 4,-0.4 6,-1.3 0.926 107.9 65.4 -48.5 -54.7 14.1 -8.5 -5.8 54 36 A G H 3<5S+ 0 0 32 -4,-1.8 6,-0.6 4,-0.2 7,-0.4 0.864 126.7 16.2 -34.2 -43.9 12.0 -7.0 -8.5 55 37 A V H