==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 12-OCT-06 2IP6 . COMPND 2 MOLECULE: PAPB; . SOURCE 2 ORGANISM_SCIENTIFIC: PEDIOCOCCUS PENTOSACEUS; . AUTHOR S.O.KANG,I.K.KIM,M.K.KIM,J.H.KIM,H.S.YIM,S.S.CHA . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 79.3 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 1 0 2 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 7 A E > 0 0 131 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 164.8 60.4 -12.1 -2.2 2 8 A H T 3> + 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.420 360.0 95.7 -80.3 1.6 59.6 -11.9 -5.9 3 9 A I H 3> S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 78.5 57.5 -60.1 -35.7 62.8 -13.9 -6.5 4 10 A K H <> S+ 0 0 63 -3,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.951 109.0 42.8 -60.5 -50.2 60.7 -17.0 -6.5 5 11 A Q H > S+ 0 0 102 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.862 110.4 58.1 -64.9 -35.0 58.5 -15.8 -9.4 6 12 A Q H X S+ 0 0 108 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.929 109.1 45.0 -58.7 -46.8 61.6 -14.4 -11.2 7 13 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.948 112.6 50.0 -63.4 -50.2 63.1 -17.9 -11.2 8 14 A L H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.909 110.0 51.5 -55.9 -43.9 59.8 -19.6 -12.3 9 15 A D H X S+ 0 0 79 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.863 109.6 49.2 -63.1 -37.8 59.4 -17.1 -15.1 10 16 A L H X S+ 0 0 35 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.917 112.1 49.4 -67.8 -41.1 63.0 -17.8 -16.4 11 17 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 114.3 43.4 -63.9 -45.5 62.4 -21.5 -16.3 12 18 A T H X S+ 0 0 66 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.855 111.6 54.8 -69.9 -34.2 59.1 -21.4 -18.2 13 19 A R H X S+ 0 0 89 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.944 110.5 45.7 -63.2 -45.7 60.5 -18.9 -20.7 14 20 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.907 109.4 54.9 -64.5 -40.9 63.4 -21.3 -21.4 15 21 A Q H < S+ 0 0 27 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.909 109.3 48.8 -57.3 -41.8 61.0 -24.3 -21.7 16 22 A F H >< S+ 0 0 126 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.946 111.6 48.1 -62.8 -49.7 59.0 -22.3 -24.3 17 23 A L H >< S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.887 104.5 59.4 -60.1 -41.4 62.1 -21.4 -26.3 18 24 A L G >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.3 -1,-0.3 0.608 97.0 62.6 -65.5 -12.0 63.5 -24.9 -26.3 19 25 A Q G < S+ 0 0 117 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.319 83.7 80.6 -94.2 7.4 60.3 -26.2 -28.1 20 26 A K G < S+ 0 0 129 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.1 0.341 70.7 101.7 -95.0 6.4 61.0 -24.0 -31.1 21 27 A H S < S- 0 0 47 -3,-0.5 6,-0.0 2,-0.2 -3,-0.0 -0.336 87.9-104.3 -85.5 170.6 63.5 -26.4 -32.7 22 28 A D S S+ 0 0 173 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.734 106.1 19.4 -67.6 -23.1 62.9 -28.7 -35.6 23 29 A T - 0 0 91 1,-0.1 -2,-0.2 0, 0.0 0, 0.0 -0.900 60.5-157.3-137.5 166.7 62.8 -31.7 -33.2 24 30 A I S >> S+ 0 0 76 -2,-0.3 3,-1.8 2,-0.1 4,-0.9 0.612 73.0 86.2-120.9 -20.8 62.2 -32.0 -29.5 25 31 A E G >4 S+ 0 0 173 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.886 88.5 53.5 -49.6 -47.3 63.8 -35.3 -28.6 26 32 A P G 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.724 114.2 44.4 -64.0 -16.0 67.3 -33.9 -28.1 27 33 A Y G <> S+ 0 0 21 -3,-1.8 4,-2.3 1,-0.1 -2,-0.2 0.483 84.7 94.0-103.8 -5.9 65.9 -31.3 -25.7 28 34 A Q H S+ 0 0 124 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.947 111.6 47.2 -62.0 -45.8 66.2 -34.1 -20.9 30 36 A V H > S+ 0 0 0 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 110.3 52.9 -62.4 -36.6 66.7 -30.4 -20.5 31 37 A L H X S+ 0 0 14 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.883 107.6 51.8 -66.2 -36.7 62.9 -29.9 -20.5 32 38 A D H X S+ 0 0 85 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.910 107.0 53.5 -62.9 -43.5 62.7 -32.5 -17.7 33 39 A I H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 110.8 46.3 -57.7 -42.6 65.4 -30.5 -15.8 34 40 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.896 110.5 51.7 -68.8 -39.7 63.3 -27.4 -16.1 35 41 A E H X S+ 0 0 107 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 112.5 46.8 -64.0 -39.3 60.1 -29.2 -15.1 36 42 A T H X S+ 0 0 74 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.903 110.9 51.1 -69.1 -40.9 61.8 -30.5 -12.0 37 43 A G H X S+ 0 0 3 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.909 111.5 49.0 -62.2 -40.4 63.3 -27.1 -11.2 38 44 A I H X S+ 0 0 6 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.929 112.5 47.3 -64.3 -45.0 59.8 -25.6 -11.5 39 45 A S H X S+ 0 0 54 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.929 113.0 48.0 -62.7 -46.5 58.3 -28.3 -9.2 40 46 A K H <>S+ 0 0 82 -4,-2.9 5,-2.6 2,-0.2 -1,-0.2 0.892 115.1 45.8 -61.4 -40.8 61.0 -27.9 -6.6 41 47 A T H ><5S+ 0 0 2 -4,-2.2 3,-1.9 -5,-0.2 -2,-0.2 0.919 111.0 51.7 -69.7 -44.3 60.7 -24.1 -6.6 42 48 A K H 3<5S+ 0 0 127 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.889 110.3 50.0 -59.5 -38.0 56.8 -24.3 -6.5 43 49 A H T 3<5S- 0 0 130 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.221 115.7-119.0 -85.5 14.1 57.1 -26.6 -3.4 44 50 A N T < 5 + 0 0 110 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.839 50.5 168.3 52.4 44.6 59.5 -24.2 -1.8 45 51 A Q < - 0 0 102 -5,-2.6 6,-0.2 -6,-0.1 -1,-0.2 -0.723 60.6 -34.2 -89.9 136.6 62.5 -26.5 -1.6 46 52 A Q S S- 0 0 106 -2,-0.4 3,-0.1 4,-0.1 0, 0.0 -0.342 110.5 -47.6 53.5-124.7 65.9 -25.0 -0.6 47 53 A T > - 0 0 68 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.936 43.7-115.0-136.3 159.0 65.8 -21.5 -2.2 48 54 A P H > S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.902 119.1 54.3 -60.9 -36.9 64.9 -20.3 -5.7 49 55 A E H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.903 108.7 48.0 -62.0 -41.4 68.5 -19.2 -6.2 50 56 A R H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 111.2 49.9 -66.0 -40.9 69.7 -22.8 -5.3 51 57 A Q H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.863 109.3 52.6 -66.4 -34.3 67.2 -24.3 -7.7 52 58 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.889 107.6 51.7 -67.7 -38.3 68.4 -21.9 -10.4 53 59 A R H X S+ 0 0 104 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.941 111.7 46.3 -62.0 -48.2 72.0 -23.0 -9.8 54 60 A V H X S+ 0 0 27 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.911 112.8 49.6 -60.9 -44.9 71.0 -26.7 -10.1 55 61 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.948 113.8 46.0 -60.3 -48.7 69.0 -26.1 -13.3 56 62 A Y H X S+ 0 0 64 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.950 114.9 45.6 -60.0 -52.0 71.8 -24.1 -14.9 57 63 A N H X S+ 0 0 64 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.901 113.8 49.3 -60.3 -42.3 74.5 -26.6 -14.0 58 64 A K H X S+ 0 0 107 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.890 113.3 46.3 -66.5 -37.2 72.4 -29.6 -15.1 59 65 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.912 110.9 51.5 -71.2 -42.0 71.5 -27.9 -18.4 60 66 A A H X S+ 0 0 44 -4,-2.8 4,-0.8 -5,-0.2 -2,-0.2 0.910 113.4 46.8 -59.5 -40.9 75.2 -26.9 -19.1 61 67 A S H >X S+ 0 0 63 -4,-2.1 4,-2.2 -5,-0.2 3,-0.9 0.936 111.7 48.8 -66.2 -47.4 76.2 -30.5 -18.4 62 68 A Q H 3X S+ 0 0 15 -4,-2.4 4,-3.9 1,-0.3 5,-0.3 0.848 101.9 63.5 -63.8 -32.7 73.5 -32.0 -20.6 63 69 A A H 3<>S+ 0 0 18 -4,-2.5 5,-1.7 1,-0.2 -1,-0.3 0.831 107.6 44.2 -60.9 -29.1 74.4 -29.6 -23.4 64 70 A L H X<5S+ 0 0 139 -3,-0.9 3,-0.7 -4,-0.8 -2,-0.2 0.941 116.7 45.8 -76.2 -49.6 77.8 -31.4 -23.4 65 71 A V H 3<5S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.871 123.9 32.2 -60.2 -43.9 76.2 -34.9 -23.2 66 72 A D T 3<5S- 0 0 61 -4,-3.9 -1,-0.2 -5,-0.1 -2,-0.2 0.291 104.8-124.3 -99.8 10.4 73.5 -34.3 -25.8 67 73 A K T < 5 - 0 0 144 -3,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.929 43.6-174.4 46.0 59.1 75.6 -32.0 -28.0 68 74 A L < - 0 0 18 -5,-1.7 2,-0.6 -6,-0.2 -1,-0.2 -0.631 21.6-155.7 -90.4 142.6 73.1 -29.2 -27.9 69 75 A H - 0 0 143 -2,-0.3 2,-0.1 0, 0.0 -1,-0.0 -0.901 16.6-160.1-119.2 100.0 73.3 -25.9 -29.8 70 76 A F - 0 0 36 -2,-0.6 2,-0.1 1,-0.1 -52,-0.0 -0.428 14.6-119.1 -82.2 153.4 71.3 -23.1 -28.2 71 77 A T > - 0 0 61 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.284 32.6-101.5 -81.3 170.3 70.1 -19.9 -29.8 72 78 A A H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 125.1 50.4 -59.5 -40.7 71.1 -16.4 -28.8 73 79 A E H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 111.2 47.5 -64.9 -42.7 67.7 -16.0 -27.0 74 80 A E H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 111.7 49.9 -65.6 -43.9 68.1 -19.4 -25.2 75 81 A N H X S+ 0 0 82 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.865 107.8 55.7 -62.8 -34.2 71.7 -18.5 -24.1 76 82 A K H X S+ 0 0 147 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.925 110.0 43.9 -64.2 -45.0 70.4 -15.1 -22.9 77 83 A V H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.913 112.7 52.5 -67.5 -40.9 67.8 -16.8 -20.6 78 84 A L H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.901 108.8 50.3 -61.0 -40.5 70.4 -19.4 -19.4 79 85 A A H X S+ 0 0 55 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.878 108.5 53.1 -65.0 -36.4 72.8 -16.6 -18.5 80 86 A A H X S+ 0 0 34 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.864 108.4 49.8 -65.9 -36.9 70.0 -14.8 -16.6 81 87 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 110.8 49.5 -67.4 -42.3 69.4 -18.1 -14.6 82 88 A N H < S+ 0 0 42 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.911 112.0 49.3 -62.0 -42.2 73.1 -18.3 -13.9 83 89 A E H >X S+ 0 0 152 -4,-2.4 3,-1.9 1,-0.2 4,-0.8 0.936 109.6 49.9 -62.8 -48.7 73.1 -14.7 -12.7 84 90 A L H >< S+ 0 0 17 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.891 105.7 58.3 -57.1 -39.7 70.1 -15.2 -10.5 85 91 A A T 3< S+ 0 0 20 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.530 108.5 46.8 -68.5 -6.6 71.8 -18.2 -9.0 86 92 A H T <4 0 0 132 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.491 360.0 360.0-111.2 -9.7 74.7 -15.9 -8.0 87 93 A S << 0 0 109 -3,-1.0 -2,-0.2 -4,-0.8 -3,-0.1 0.069 360.0 360.0 176.8 360.0 72.6 -13.1 -6.5