==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 16-JUL-12 4G4V . COMPND 2 MOLECULE: PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR W.C.LEE,J.H.SONG,J.S.PARK,H.Y.KIM . 111 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.0 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 . 8 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 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 1 0 1 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 1 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 74 A M >> 0 0 190 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -48.1 -2.7 -24.7 8.4 2 75 A A G >4 + 0 0 39 1,-0.3 3,-0.7 2,-0.2 26,-0.2 0.858 360.0 52.2 -57.0 -35.2 -5.9 -22.8 7.9 3 76 A L G 34 S+ 0 0 77 1,-0.2 -1,-0.3 24,-0.1 21,-0.0 0.705 96.0 68.6 -74.2 -20.8 -5.9 -22.1 11.7 4 77 A A G <4 S+ 0 0 70 -3,-1.1 2,-0.6 2,-0.0 -1,-0.2 0.748 82.4 87.7 -69.8 -23.7 -2.3 -20.8 11.5 5 78 A K << + 0 0 130 -4,-0.7 3,-0.0 -3,-0.7 0, 0.0 -0.687 49.7 174.6 -82.5 121.7 -3.6 -17.8 9.5 6 79 A R + 0 0 106 -2,-0.6 102,-3.1 1,-0.1 2,-0.3 0.168 58.8 57.8-111.2 13.8 -4.7 -15.0 11.9 7 80 A V E -A 107 0A 34 100,-0.2 2,-0.3 98,-0.0 100,-0.2 -0.997 56.3-163.5-148.9 140.2 -5.5 -12.3 9.3 8 81 A V E -A 106 0A 0 98,-2.0 98,-1.7 -2,-0.3 2,-0.2 -0.903 19.0-139.3-119.7 152.8 -7.8 -11.9 6.3 9 82 A H E -A 105 0A 75 -2,-0.3 9,-0.5 96,-0.2 2,-0.3 -0.702 9.7-156.9-115.7 166.0 -7.5 -9.2 3.6 10 83 A F - 0 0 5 94,-1.7 94,-0.2 91,-0.3 3,-0.1 -0.950 19.0-115.3-138.0 157.3 -9.7 -6.9 1.5 11 84 A D > - 0 0 100 5,-0.4 3,-2.0 -2,-0.3 5,-0.1 -0.365 60.9 -58.9 -84.4 167.8 -9.7 -5.0 -1.7 12 85 A Y T 3 S- 0 0 144 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.187 119.6 -9.0 -50.6 131.6 -9.8 -1.2 -2.0 13 86 A D T 3 S+ 0 0 71 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.698 111.9 119.7 50.6 26.0 -12.9 0.4 -0.3 14 87 A S < - 0 0 23 -3,-2.0 -1,-0.2 2,-0.1 48,-0.0 -0.923 48.9-173.2-125.1 147.6 -14.4 -3.1 0.1 15 88 A S + 0 0 34 -2,-0.4 2,-0.2 -5,-0.1 -1,-0.1 0.134 52.5 125.0-115.9 14.8 -15.5 -5.2 3.1 16 89 A D - 0 0 114 -5,-0.1 -5,-0.4 1,-0.0 2,-0.3 -0.555 58.7-131.4 -76.8 138.5 -16.1 -8.3 0.8 17 90 A L - 0 0 18 -2,-0.2 2,-0.2 -7,-0.1 -7,-0.1 -0.714 18.4-127.8 -92.4 142.7 -14.3 -11.4 1.9 18 91 A S > - 0 0 51 -9,-0.5 4,-2.4 -2,-0.3 3,-0.2 -0.484 24.6-107.9 -86.8 160.6 -12.3 -13.4 -0.7 19 92 A T H > S+ 0 0 128 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.820 122.5 51.6 -55.7 -31.7 -12.7 -17.1 -1.3 20 93 A E H > S+ 0 0 155 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 107.4 50.7 -74.2 -38.6 -9.3 -17.6 0.4 21 94 A D H > S+ 0 0 13 1,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.886 106.0 57.8 -64.3 -38.3 -10.3 -15.6 3.5 22 95 A Y H X S+ 0 0 97 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.842 101.5 54.0 -61.1 -35.3 -13.4 -17.7 3.8 23 96 A Q H X S+ 0 0 124 -4,-1.1 4,-1.6 -3,-0.2 -1,-0.2 0.961 111.2 46.8 -62.5 -50.4 -11.4 -20.9 4.0 24 97 A T H X S+ 0 0 15 -4,-1.6 4,-1.7 1,-0.2 3,-0.4 0.936 111.9 50.1 -54.6 -51.9 -9.4 -19.4 6.9 25 98 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.821 104.6 57.2 -60.4 -34.8 -12.6 -18.2 8.6 26 99 A Q H X S+ 0 0 95 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.901 105.5 52.3 -63.8 -39.2 -14.3 -21.6 8.4 27 100 A A H X S+ 0 0 15 -4,-1.6 4,-1.9 -3,-0.4 -2,-0.2 0.923 112.1 44.2 -62.3 -46.3 -11.3 -23.1 10.3 28 101 A H H X S+ 0 0 3 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.859 109.5 57.0 -67.3 -36.0 -11.6 -20.6 13.1 29 102 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.947 108.6 46.6 -59.6 -47.8 -15.4 -20.9 13.2 30 103 A Q H X S+ 0 0 112 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.902 113.4 48.9 -60.3 -43.7 -15.0 -24.7 13.8 31 104 A F H X S+ 0 0 74 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.896 112.0 48.6 -63.6 -42.4 -12.4 -24.1 16.5 32 105 A L H < S+ 0 0 0 -4,-2.8 6,-0.3 1,-0.2 -2,-0.2 0.878 110.3 50.3 -68.1 -37.7 -14.5 -21.5 18.3 33 106 A M H < S+ 0 0 88 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.852 112.8 47.0 -68.7 -33.0 -17.6 -23.7 18.3 34 107 A A H < S+ 0 0 82 -4,-1.7 2,-0.4 1,-0.3 -1,-0.2 0.710 114.5 49.4 -79.9 -21.2 -15.6 -26.6 19.7 35 108 A N >< + 0 0 63 -4,-1.2 3,-3.0 -5,-0.2 -1,-0.3 -0.629 68.1 176.1-118.8 71.1 -14.1 -24.3 22.3 36 109 A A T 3 S+ 0 0 73 -2,-0.4 -1,-0.1 -3,-0.4 -2,-0.1 0.651 79.9 53.2 -49.7 -20.8 -17.1 -22.5 23.7 37 110 A N T 3 S+ 0 0 160 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.460 85.2 102.2 -97.7 -0.4 -14.9 -20.7 26.3 38 111 A S < - 0 0 30 -3,-3.0 2,-0.3 -6,-0.3 -3,-0.1 -0.605 55.8-162.8 -81.1 142.9 -12.5 -19.4 23.7 39 112 A K - 0 0 90 72,-0.4 72,-2.9 -2,-0.2 2,-0.4 -0.958 3.7-160.1-128.3 147.4 -12.9 -15.7 22.9 40 113 A V E -bC 80 110A 0 39,-3.3 41,-1.5 -2,-0.3 2,-0.5 -0.981 10.4-150.0-131.7 142.0 -11.7 -13.6 19.9 41 114 A A E -bC 81 109A 18 68,-3.3 68,-2.8 -2,-0.4 2,-0.6 -0.939 14.9-156.7-108.4 124.2 -11.2 -9.9 19.3 42 115 A L E -bC 82 108A 0 39,-2.9 41,-2.8 -2,-0.5 2,-0.5 -0.915 8.3-166.4-104.9 117.8 -11.6 -9.0 15.6 43 116 A T E -bC 83 107A 13 64,-2.0 64,-2.3 -2,-0.6 2,-0.4 -0.918 6.2-151.1-109.7 126.9 -9.8 -5.7 14.7 44 117 A G E +bC 84 106A 0 39,-3.3 41,-2.6 -2,-0.5 42,-0.4 -0.783 18.2 176.6 -99.6 140.5 -10.5 -4.0 11.4 45 118 A H - 0 0 5 60,-2.9 60,-0.5 -2,-0.4 2,-0.3 -0.898 13.2-162.2-138.0 164.5 -8.0 -1.8 9.5 46 119 A T - 0 0 2 40,-2.1 2,-0.2 -2,-0.3 43,-0.1 -0.837 31.6 -98.2-137.3 171.5 -7.6 0.1 6.3 47 120 A D - 0 0 5 -2,-0.3 53,-0.1 2,-0.1 41,-0.1 -0.492 50.9 -93.4 -86.5 168.3 -4.8 1.5 4.3 48 121 A E S S+ 0 0 62 -2,-0.2 2,-0.2 39,-0.1 39,-0.1 0.543 88.8 112.5 -60.1 -11.3 -3.9 5.2 4.7 49 122 A R + 0 0 89 6,-0.0 -2,-0.1 3,-0.0 2,-0.1 -0.465 67.4 16.3 -71.6 131.4 -6.0 6.5 1.9 50 123 A G S S- 0 0 49 -2,-0.2 37,-0.0 4,-0.1 2,-0.0 -0.330 100.4 -40.0 101.8 174.1 -9.1 8.6 2.8 51 124 A T > - 0 0 82 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.249 49.5-118.0 -72.0 161.3 -10.2 10.5 5.9 52 125 A R H > S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 35,-0.2 0.908 117.7 50.3 -64.2 -40.1 -9.7 9.1 9.4 53 126 A E H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 109.1 49.7 -62.6 -47.6 -13.5 9.1 9.8 54 127 A Y H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 114.3 45.1 -59.9 -43.9 -14.1 7.3 6.5 55 128 A N H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 31,-0.3 0.782 104.5 60.9 -74.6 -26.6 -11.6 4.6 7.4 56 129 A M H X S+ 0 0 79 -4,-1.8 4,-1.7 2,-0.2 30,-0.3 0.936 110.5 42.9 -63.7 -43.2 -12.9 4.1 10.9 57 130 A A H X S+ 0 0 46 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.892 114.1 50.4 -68.2 -41.1 -16.3 3.2 9.5 58 131 A L H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 109.8 50.4 -64.0 -41.8 -14.7 1.0 6.7 59 132 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 110.2 51.6 -62.9 -36.4 -12.6 -0.8 9.3 60 133 A E H X S+ 0 0 62 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.892 108.2 49.9 -67.9 -40.6 -15.7 -1.4 11.3 61 134 A R H X S+ 0 0 107 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.880 111.0 51.1 -66.2 -35.8 -17.6 -2.8 8.4 62 135 A R H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.937 110.9 46.4 -65.8 -46.8 -14.6 -5.2 7.7 63 136 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.915 115.2 47.4 -61.9 -42.1 -14.5 -6.4 11.3 64 137 A K H X S+ 0 0 94 -4,-2.3 4,-3.4 2,-0.2 -1,-0.2 0.830 105.1 58.6 -70.3 -31.2 -18.3 -6.9 11.3 65 138 A A H X S+ 0 0 25 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.941 111.6 42.6 -61.7 -44.3 -18.2 -8.7 8.0 66 139 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 114.5 50.5 -66.4 -44.2 -15.9 -11.2 9.6 67 140 A Q H X S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 109.7 50.6 -59.6 -47.7 -17.9 -11.3 12.8 68 141 A N H X S+ 0 0 92 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.842 109.0 51.2 -61.5 -36.3 -21.1 -11.9 10.9 69 142 A Y H X S+ 0 0 46 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.945 110.6 48.2 -66.7 -47.0 -19.6 -14.8 8.9 70 143 A L H <>S+ 0 0 2 -4,-2.2 5,-2.8 1,-0.2 4,-0.3 0.914 113.2 48.3 -57.9 -44.2 -18.4 -16.5 12.1 71 144 A I H ><5S+ 0 0 54 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.915 110.1 50.7 -62.8 -44.7 -21.8 -16.1 13.7 72 145 A T H 3<5S+ 0 0 124 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.2 56.5 -61.7 -32.2 -23.6 -17.4 10.6 73 146 A S T 3<5S- 0 0 38 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.546 133.2 -91.3 -76.4 -8.3 -21.2 -20.4 10.8 74 147 A G T < 5S+ 0 0 44 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.346 75.9 145.3 116.4 -6.6 -22.3 -21.1 14.4 75 148 A V < - 0 0 2 -5,-2.8 -1,-0.3 -6,-0.2 -42,-0.1 -0.457 55.6-113.7 -68.5 134.4 -19.9 -19.1 16.6 76 149 A N > - 0 0 68 -2,-0.2 3,-2.4 1,-0.2 4,-0.3 -0.492 16.2-133.4 -67.7 128.0 -21.7 -17.6 19.7 77 150 A P G > S+ 0 0 73 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.801 104.6 68.9 -53.3 -25.9 -21.8 -13.8 19.4 78 151 A Q G 3 S+ 0 0 157 1,-0.3 -2,-0.0 -39,-0.0 -3,-0.0 0.706 92.4 56.7 -66.2 -21.0 -20.5 -13.9 23.0 79 152 A Q G < S+ 0 0 10 -3,-2.4 -39,-3.3 -40,-0.1 2,-0.4 0.438 101.4 79.1 -89.0 -0.4 -17.1 -15.2 21.9 80 153 A L E < -b 40 0A 15 -3,-1.6 2,-0.4 -4,-0.3 -39,-0.2 -0.889 48.1-178.8-122.9 145.6 -16.6 -12.3 19.6 81 154 A E E -b 41 0A 84 -41,-1.5 -39,-2.9 -2,-0.4 2,-0.4 -0.979 11.3-164.7-129.4 140.6 -15.6 -8.6 19.7 82 155 A A E +b 42 0A 18 -2,-0.4 2,-0.3 -41,-0.2 -39,-0.2 -0.960 19.2 157.0-133.7 117.7 -15.4 -6.4 16.6 83 156 A V E -b 43 0A 56 -41,-2.8 -39,-3.3 -2,-0.4 2,-0.4 -0.943 28.6-132.0-138.8 160.3 -13.6 -3.1 16.6 84 157 A S E +b 44 0A 18 -2,-0.3 -39,-0.2 -41,-0.2 -28,-0.1 -0.876 18.1 178.3-117.6 145.4 -12.0 -0.7 14.2 85 158 A Y > - 0 0 117 -41,-2.6 3,-2.3 -2,-0.4 4,-0.4 0.189 33.1-155.0-120.6 8.4 -8.6 1.1 14.2 86 159 A G T 3 - 0 0 0 -42,-0.4 -40,-2.1 -30,-0.3 -1,-0.3 -0.262 64.3 -33.0 52.8-129.7 -9.3 2.8 10.8 87 160 A K T 3 S+ 0 0 42 -42,-0.2 -1,-0.3 -35,-0.2 -39,-0.1 0.206 116.8 99.0-105.4 13.5 -5.9 3.7 9.2 88 161 A E S < S+ 0 0 93 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.1 0.765 80.3 43.9 -73.0 -28.6 -4.2 4.3 12.5 89 162 A A + 0 0 37 -4,-0.4 -1,-0.2 -3,-0.2 2,-0.1 -0.525 69.9 170.9-121.0 68.5 -2.5 0.9 12.9 90 163 A P - 0 0 62 0, 0.0 13,-0.1 0, 0.0 -43,-0.1 -0.424 28.6-149.7 -73.3 149.7 -0.8 -0.2 9.7 91 164 A V S S+ 0 0 74 1,-0.3 12,-0.1 8,-0.2 8,-0.0 0.755 89.7 41.5 -87.1 -26.2 1.5 -3.2 9.8 92 165 A N S S- 0 0 44 7,-0.3 -1,-0.3 2,-0.1 11,-0.1 -0.965 73.1-162.2-125.9 117.5 3.5 -1.8 6.9 93 166 A P + 0 0 100 0, 0.0 3,-0.3 0, 0.0 10,-0.1 0.287 48.8 90.6 -72.5-148.7 4.4 1.9 6.7 94 167 A G S S- 0 0 36 1,-0.2 2,-0.7 5,-0.0 -2,-0.1 0.401 78.9-105.9 69.7 143.5 5.5 3.4 3.4 95 168 A H S S+ 0 0 149 4,-0.1 2,-0.3 -47,-0.0 -1,-0.2 -0.629 74.9 107.4-108.4 73.7 3.1 4.9 0.9 96 169 A D S > S- 0 0 69 -2,-0.7 4,-1.7 -3,-0.3 3,-0.2 -0.942 75.2-103.8-142.5 163.1 2.8 2.3 -1.9 97 170 A E H >> S+ 0 0 157 -2,-0.3 4,-1.8 1,-0.2 3,-1.2 0.955 114.3 51.5 -50.4 -68.7 0.3 -0.2 -3.2 98 171 A S H 3> S+ 0 0 73 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.823 111.1 51.2 -39.5 -43.5 1.8 -3.5 -1.9 99 172 A A H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.883 107.8 51.3 -64.9 -40.1 2.0 -1.9 1.5 100 173 A W H