==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-AUG-99 1CW5 . COMPND 2 MOLECULE: TYPE IIA BACTERIOCIN CARNOBACTERIOCIN B2; . SOURCE 2 ORGANISM_SCIENTIFIC: CARNOBACTERIUM MALTAROMATICUM; . AUTHOR Y.WANG,M.E.HENZ,N.L.F.GALLAGHER,S.CHAI,L.Z.YAN,A.C.GIBBS, . 48 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 62.5 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 . 0 0.0 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 . 4 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 43.8 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A V 0 0 152 0, 0.0 3,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-127.1 -25.5 15.9 9.8 2 2 A N + 0 0 139 1,-0.2 2,-0.9 2,-0.0 4,-0.5 0.855 360.0 176.6 45.2 42.0 -22.1 15.4 8.1 3 3 A Y + 0 0 207 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.672 39.5 84.2 -80.7 106.7 -24.0 14.6 4.9 4 4 A G S S- 0 0 53 -2,-0.9 -1,-0.2 -3,-0.2 -2,-0.0 0.143 105.4 -35.7-160.6 -70.9 -21.3 14.1 2.2 5 5 A N S S+ 0 0 164 -3,-0.3 5,-0.2 5,-0.0 -2,-0.1 0.081 116.2 73.8-162.6 29.6 -19.6 10.7 1.8 6 6 A G S S+ 0 0 69 -4,-0.5 3,-0.2 3,-0.1 -3,-0.1 0.521 89.3 55.4-123.2 -15.1 -19.3 9.2 5.2 7 7 A V S S+ 0 0 90 -5,-0.2 2,-0.9 1,-0.2 -4,-0.1 0.793 104.6 55.5 -88.4 -32.1 -22.9 8.2 6.1 8 8 A S S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.787 80.8-157.2-105.1 88.9 -23.3 6.0 3.0 9 9 A a - 0 0 79 -2,-0.9 4,-0.1 -3,-0.2 -3,-0.1 -0.485 24.0-111.0 -69.3 128.8 -20.5 3.5 3.0 10 10 A S S > S+ 0 0 82 -2,-0.3 3,-0.7 -5,-0.2 -1,-0.1 -0.125 79.2 2.3 -56.0 154.9 -19.7 2.1 -0.5 11 11 A K T 3 S- 0 0 137 1,-0.2 2,-1.3 2,-0.1 -2,-0.0 0.428 97.6 -77.9 45.2 163.5 -20.5 -1.6 -1.2 12 12 A T T 3 S+ 0 0 144 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.397 118.0 40.0 -90.0 58.8 -22.2 -3.8 1.3 13 13 A K < - 0 0 139 -2,-1.3 -2,-0.1 -3,-0.7 -1,-0.1 -0.024 61.9-171.7-158.3 -90.4 -19.1 -4.4 3.4 14 14 A a + 0 0 53 2,-0.1 -3,-0.0 -5,-0.0 -5,-0.0 0.918 46.6 105.5 75.3 93.7 -16.4 -1.8 4.3 15 15 A S S S- 0 0 108 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.270 82.5 -1.2-162.2 -47.9 -13.4 -3.4 5.9 16 16 A V - 0 0 96 4,-0.0 2,-0.2 3,-0.0 -2,-0.1 -0.797 58.3-149.3-164.7 117.1 -10.4 -3.6 3.6 17 17 A N >> - 0 0 110 -2,-0.2 4,-0.9 1,-0.1 3,-0.8 -0.490 27.4-119.8 -85.5 157.2 -9.9 -2.6 -0.0 18 18 A W H 3> S+ 0 0 212 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.841 106.5 76.5 -63.6 -31.8 -7.5 -4.3 -2.4 19 19 A G H 3> S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 92.8 50.1 -45.3 -46.7 -5.7 -1.0 -2.8 20 20 A Q H <> S+ 0 0 124 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.927 112.5 47.4 -60.7 -46.2 -4.0 -1.4 0.6 21 21 A A H >X S+ 0 0 38 -4,-0.9 4,-3.0 -3,-0.2 3,-0.6 0.974 109.2 50.9 -59.6 -59.4 -2.9 -5.0 -0.3 22 22 A F H 3X S+ 0 0 132 -4,-2.6 4,-2.4 1,-0.3 5,-0.4 0.793 113.5 47.2 -50.0 -34.6 -1.5 -4.2 -3.8 23 23 A Q H 3X S+ 0 0 119 -4,-1.5 4,-1.0 -5,-0.3 5,-0.4 0.817 113.3 46.2 -79.7 -32.2 0.5 -1.3 -2.3 24 24 A E H << S+ 0 0 135 -4,-1.8 4,-0.4 -3,-0.6 -2,-0.2 0.821 120.8 41.3 -76.2 -31.8 1.9 -3.3 0.6 25 25 A R H X S+ 0 0 193 -4,-3.0 4,-1.6 -5,-0.2 -2,-0.2 0.963 122.3 35.4 -77.2 -60.6 2.7 -6.2 -1.7 26 26 A Y H X S+ 0 0 90 -4,-2.4 4,-3.4 -5,-0.3 5,-0.3 0.949 120.5 45.7 -63.2 -54.5 4.1 -4.3 -4.7 27 27 A T H X S+ 0 0 47 -4,-1.0 4,-4.0 -5,-0.4 5,-0.4 0.881 107.0 62.5 -58.9 -36.1 5.9 -1.4 -2.8 28 28 A A H > S+ 0 0 53 -4,-0.4 4,-1.5 -5,-0.4 -1,-0.2 0.932 116.2 29.1 -53.4 -49.5 7.3 -4.1 -0.5 29 29 A G H X S+ 0 0 48 -4,-1.6 4,-1.5 -3,-0.3 -2,-0.2 0.826 123.7 49.4 -80.9 -33.9 9.2 -5.7 -3.3 30 30 A I H X S+ 0 0 95 -4,-3.4 4,-0.6 -5,-0.2 -2,-0.2 0.807 111.2 51.1 -75.0 -29.6 9.6 -2.5 -5.3 31 31 A N H >X S+ 0 0 95 -4,-4.0 4,-1.6 -5,-0.3 3,-1.1 0.940 107.7 50.7 -71.8 -49.1 10.9 -0.7 -2.3 32 32 A S H 3X S+ 0 0 80 -4,-1.5 4,-2.5 -5,-0.4 5,-0.4 0.913 101.0 63.8 -54.8 -45.2 13.5 -3.3 -1.4 33 33 A F H 3X S+ 0 0 120 -4,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.817 104.7 48.9 -48.4 -35.4 14.8 -3.2 -5.0 34 34 A V H X S+ 0 0 42 -4,-2.5 3,-1.5 1,-0.3 4,-1.4 0.967 118.5 43.9 -54.5 -58.4 19.5 -3.0 -2.2 37 37 A V H 3X S+ 0 0 74 -4,-1.8 4,-2.0 -5,-0.4 -1,-0.3 0.736 109.0 62.0 -59.4 -22.3 20.2 -1.7 -5.6 38 38 A A H 3X S+ 0 0 55 -4,-2.4 4,-0.8 3,-0.2 -1,-0.3 0.775 100.0 53.3 -75.3 -26.6 21.1 1.6 -3.9 39 39 A S H << S+ 0 0 106 -3,-1.5 -2,-0.2 -4,-1.3 -1,-0.2 0.914 115.7 36.9 -74.1 -45.1 23.9 -0.1 -2.0 40 40 A G H < S- 0 0 67 -4,-1.4 -2,-0.2 1,-0.1 -3,-0.1 0.950 143.3 -38.9 -72.9 -50.7 25.7 -1.5 -5.0 41 41 A A H < + 0 0 65 -4,-2.0 3,-0.2 -5,-0.2 -3,-0.2 -0.263 65.1 156.2 179.0 82.7 25.0 1.4 -7.4 42 42 A G < + 0 0 26 -4,-0.8 3,-0.3 1,-0.2 -4,-0.1 0.014 56.6 92.6-103.1 26.4 21.7 3.3 -7.4 43 43 A S S S+ 0 0 103 1,-0.2 -1,-0.2 2,-0.1 -5,-0.1 -0.055 90.6 36.4-108.5 30.5 23.1 6.5 -8.9 44 44 A I S S+ 0 0 129 -3,-0.2 -1,-0.2 3,-0.0 3,-0.0 -0.150 95.0 69.2-178.2 69.2 22.4 5.6 -12.5 45 45 A G + 0 0 56 -3,-0.3 2,-0.6 3,-0.0 -2,-0.1 0.210 46.2 125.4-179.7 33.0 19.2 3.6 -13.2 46 46 A R + 0 0 208 1,-0.1 -4,-0.0 2,-0.0 -3,-0.0 -0.402 43.1 109.9-100.4 55.0 16.1 5.9 -12.5 47 47 A R 0 0 192 -2,-0.6 -1,-0.1 -3,-0.0 -3,-0.0 -0.807 360.0 360.0-132.9 92.0 14.5 5.4 -16.0 48 48 A P 0 0 205 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.100 360.0 360.0 -55.6 360.0 11.3 3.3 -16.0