==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 12-APR-10 2KWL . COMPND 2 MOLECULE: ACYL CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR R.BARNWAL,V.VITTAL,J.MOODY,G.VARANI,SEATTLE STRUCTURAL GENOM . 84 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 69.0 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.8 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 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 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 1 A G 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.9 2.1 0.0 -1.2 2 2 A P + 0 0 138 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.090 360.0 108.8 -69.8-172.8 4.9 2.2 -2.6 3 3 A G + 0 0 50 1,-0.1 2,-0.5 0, 0.0 0, 0.0 0.650 45.6 120.7 110.9 24.2 4.6 5.8 -3.8 4 4 A S + 0 0 105 3,-0.0 2,-0.3 5,-0.0 -1,-0.1 -0.853 40.9 91.9-124.0 95.6 6.4 7.6 -1.0 5 5 A M S > S- 0 0 116 -2,-0.5 3,-1.2 -3,-0.1 4,-0.3 -0.941 82.2 -99.8-175.2 155.2 9.5 9.6 -2.2 6 6 A D T >> S+ 0 0 106 -2,-0.3 4,-1.9 1,-0.3 3,-1.7 0.812 114.9 71.9 -52.0 -31.5 10.6 13.0 -3.4 7 7 A N H 3> S+ 0 0 66 77,-0.3 4,-0.6 1,-0.3 -1,-0.3 0.920 107.8 31.9 -51.0 -49.5 10.4 11.5 -6.9 8 8 A D H <4 S+ 0 0 42 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.242 115.0 65.0 -92.8 12.1 6.6 11.5 -6.8 9 9 A E H <> S+ 0 0 99 -3,-1.7 4,-2.8 -4,-0.3 5,-0.2 0.654 91.3 60.7-104.3 -24.1 6.6 14.6 -4.6 10 10 A I H X S+ 0 0 39 -4,-1.9 4,-2.3 -3,-0.3 5,-0.2 0.971 111.4 36.5 -67.8 -55.9 8.1 17.0 -7.1 11 11 A F H X S+ 0 0 38 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.818 121.8 49.1 -66.7 -31.1 5.4 16.7 -9.8 12 12 A S H > S+ 0 0 20 2,-0.2 4,-2.0 3,-0.1 -2,-0.2 0.929 111.6 46.5 -74.1 -47.8 2.8 16.5 -7.0 13 13 A K H X S+ 0 0 144 -4,-2.8 4,-0.6 2,-0.2 -2,-0.2 0.925 113.9 48.8 -60.6 -46.6 4.0 19.5 -5.0 14 14 A V H >X S+ 0 0 78 -4,-2.3 4,-1.0 -5,-0.2 3,-1.0 0.910 113.1 46.9 -60.3 -44.1 4.3 21.6 -8.1 15 15 A R H 3X S+ 0 0 28 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.807 98.2 71.2 -68.1 -29.9 0.8 20.6 -9.3 16 16 A S H 3< S+ 0 0 74 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.767 98.5 51.5 -57.6 -25.2 -0.5 21.3 -5.7 17 17 A I H X< S+ 0 0 107 -3,-1.0 3,-1.1 -4,-0.6 4,-0.4 0.954 115.0 36.8 -76.9 -54.2 -0.0 24.9 -6.5 18 18 A I H >X>S+ 0 0 49 -4,-1.0 4,-3.3 1,-0.2 3,-0.8 0.804 100.1 79.1 -68.4 -29.5 -1.9 25.1 -9.8 19 19 A S H 3X5S+ 0 0 36 -4,-3.2 4,-1.6 1,-0.3 -1,-0.2 0.784 83.5 67.8 -48.9 -28.4 -4.5 22.6 -8.5 20 20 A E H <45S+ 0 0 143 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.963 119.1 15.6 -57.5 -56.2 -5.9 25.7 -6.7 21 21 A Q H <45S+ 0 0 132 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.1 0.894 130.1 51.0 -85.4 -46.1 -7.1 27.4 -9.8 22 22 A L H <5S- 0 0 32 -4,-3.3 -3,-0.2 1,-0.1 -2,-0.2 0.822 84.0-161.3 -61.1 -31.4 -6.9 24.4 -12.2 23 23 A D << + 0 0 138 -4,-1.6 2,-0.2 -5,-0.6 -4,-0.1 0.798 47.5 126.2 52.2 29.5 -8.9 22.4 -9.7 24 24 A K - 0 0 68 -9,-0.2 2,-0.4 -6,-0.1 -1,-0.2 -0.568 64.1-102.4-110.3 175.6 -7.6 19.3 -11.6 25 25 A K > - 0 0 138 -2,-0.2 3,-1.7 -3,-0.1 -9,-0.0 -0.823 13.6-138.0-103.3 139.5 -5.7 16.2 -10.5 26 26 A E G > S+ 0 0 61 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.678 103.2 70.1 -65.7 -16.5 -2.0 15.7 -10.9 27 27 A D G 3 S+ 0 0 144 1,-0.2 -1,-0.3 -15,-0.0 -15,-0.0 0.286 70.7 93.4 -83.7 10.9 -2.8 12.1 -12.0 28 28 A E G < + 0 0 74 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.1 0.325 52.1 147.5 -84.8 8.1 -4.3 13.6 -15.2 29 29 A I < + 0 0 60 -3,-0.7 2,-0.3 43,-0.1 -3,-0.0 -0.236 22.6 131.6 -49.0 114.2 -1.0 13.0 -16.9 30 30 A T >> - 0 0 56 -2,-0.1 4,-1.0 4,-0.0 3,-0.9 -0.983 66.5-122.2-164.4 157.2 -1.9 12.2 -20.5 31 31 A T T 34 S+ 0 0 74 -2,-0.3 -2,-0.1 1,-0.2 41,-0.1 0.563 109.7 65.2 -80.3 -8.9 -1.0 13.1 -24.1 32 32 A D T 34 S+ 0 0 142 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.179 100.5 52.3 -97.3 15.7 -4.6 14.1 -24.6 33 33 A S T <> S+ 0 0 10 -3,-0.9 4,-2.2 4,-0.1 5,-0.2 0.755 72.7 163.8-113.1 -56.5 -4.4 17.0 -22.2 34 34 A R H X> - 0 0 152 -4,-1.0 4,-2.5 3,-0.2 5,-0.6 0.048 66.5 -57.9 58.7-175.4 -1.4 19.1 -23.1 35 35 A F H 45S+ 0 0 41 3,-0.2 6,-0.8 1,-0.2 -1,-0.2 0.828 135.0 63.5 -68.1 -32.3 -0.9 22.6 -21.8 36 36 A V H 45S+ 0 0 83 2,-0.1 -1,-0.2 4,-0.1 -2,-0.2 0.934 119.7 21.6 -57.3 -49.5 -4.3 23.7 -23.2 37 37 A E H <5S+ 0 0 120 -4,-2.2 -3,-0.2 3,-0.1 -2,-0.2 0.943 135.2 36.2 -83.8 -57.3 -6.2 21.2 -21.0 38 38 A D T <5S+ 0 0 13 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.990 119.7 46.3 -59.5 -65.0 -3.7 20.7 -18.2 39 39 A L S > - 0 0 76 -2,-0.3 3,-1.4 1,-0.1 4,-1.4 -0.646 43.2-100.3-106.9 165.4 -1.2 27.9 -24.6 43 43 A S H 3> S+ 0 0 61 1,-0.3 4,-2.2 -2,-0.2 5,-0.1 0.747 114.1 78.7 -54.2 -23.2 2.2 26.7 -25.7 44 44 A L H 3> S+ 0 0 130 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.926 103.3 31.7 -51.7 -50.4 2.8 30.3 -26.6 45 45 A D H <> S+ 0 0 110 -3,-1.4 4,-1.0 1,-0.2 3,-0.3 0.748 115.4 61.1 -79.9 -25.3 3.5 31.2 -23.0 46 46 A I H X S+ 0 0 9 -4,-1.4 4,-2.5 1,-0.2 5,-0.5 0.756 87.6 75.5 -72.1 -24.8 4.9 27.7 -22.3 47 47 A Y H X S+ 0 0 159 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.935 103.4 35.8 -51.4 -52.9 7.6 28.3 -24.8 48 48 A E H X S+ 0 0 122 -4,-0.5 4,-2.4 -3,-0.3 5,-0.3 0.807 112.3 63.9 -71.8 -30.2 9.5 30.7 -22.5 49 49 A L H X S+ 0 0 103 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.976 115.0 27.4 -57.1 -60.6 8.5 28.5 -19.5 50 50 A L H X S+ 0 0 39 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.876 116.1 63.9 -70.5 -38.6 10.4 25.4 -20.6 51 51 A Y H X S+ 0 0 107 -4,-2.0 4,-0.8 -5,-0.5 -1,-0.2 0.907 112.1 35.5 -51.3 -46.8 13.0 27.4 -22.6 52 52 A L H X S+ 0 0 106 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.788 113.9 60.0 -78.4 -29.2 14.2 29.0 -19.3 53 53 A L H >X S+ 0 0 62 -4,-1.5 3,-0.8 -5,-0.3 4,-0.6 0.926 104.6 47.8 -64.3 -46.2 13.6 25.8 -17.3 54 54 A E H >X>S+ 0 0 24 -4,-3.1 4,-1.2 1,-0.2 5,-1.0 0.821 104.1 62.5 -64.4 -31.3 16.0 23.8 -19.5 55 55 A E H 3<5S+ 0 0 119 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.800 98.2 56.4 -64.4 -28.9 18.6 26.6 -19.1 56 56 A A H <<5S+ 0 0 72 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.703 115.3 37.0 -75.4 -20.2 18.6 26.0 -15.4 57 57 A F H <<5S- 0 0 82 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.479 110.4-122.4-107.2 -8.4 19.5 22.4 -16.0 58 58 A D T <5 + 0 0 135 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.999 67.0 118.5 62.9 70.1 21.8 23.1 -18.9 59 59 A D < - 0 0 32 -5,-1.0 2,-0.3 5,-0.0 -1,-0.2 -0.932 65.3-109.5-165.1 139.0 20.1 20.9 -21.6 60 60 A K >> - 0 0 126 -2,-0.3 5,-1.7 1,-0.1 4,-1.5 -0.534 19.9-159.2 -73.9 132.3 18.5 21.5 -25.0 61 61 A I T 4>S+ 0 0 15 -2,-0.3 5,-1.8 3,-0.2 6,-0.2 0.972 93.6 39.4 -74.0 -58.5 14.7 20.9 -25.0 62 62 A P T 45S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.525 130.7 34.8 -69.8 -4.7 14.2 20.3 -28.7 63 63 A E T 45S+ 0 0 127 3,-0.1 4,-0.4 4,-0.0 -2,-0.2 0.760 130.7 21.5-111.6 -65.6 17.4 18.3 -28.7 64 64 A N T ><5S+ 0 0 87 -4,-1.5 3,-1.9 2,-0.2 4,-0.2 0.987 132.8 38.4 -70.5 -62.2 17.9 16.5 -25.4 65 65 A E G > > S- 0 0 16 -37,-0.1 3,-1.6 -36,-0.0 4,-1.2 -0.759 83.1 -77.8-136.7-177.5 3.2 16.2 -24.2 72 72 A V H 3> S+ 0 0 10 1,-0.3 4,-2.5 -42,-0.2 3,-0.2 0.877 122.4 67.0 -51.9 -41.3 3.1 17.5 -20.6 73 73 A G H 3> S+ 0 0 9 -43,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.835 99.4 51.6 -49.8 -35.9 3.1 13.9 -19.3 74 74 A D H <> S+ 0 0 34 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.929 108.5 48.9 -68.2 -46.7 6.7 13.6 -20.7 75 75 A V H X S+ 0 0 25 -4,-1.2 4,-3.1 2,-0.2 5,-0.3 0.877 108.6 56.0 -60.7 -39.1 7.9 16.8 -18.9 76 76 A V H X S+ 0 0 9 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.972 112.7 38.1 -57.7 -58.9 6.4 15.6 -15.7 77 77 A N H X S+ 0 0 77 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.738 117.4 56.6 -65.4 -22.2 8.2 12.2 -15.6 78 78 A F H X S+ 0 0 12 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.980 109.6 39.0 -72.9 -60.4 11.2 14.1 -17.0 79 79 A I H X S+ 0 0 42 -4,-3.1 4,-1.3 1,-0.2 5,-0.5 0.733 112.2 63.8 -62.6 -21.8 11.6 16.7 -14.3 80 80 A K H X S+ 0 0 44 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.962 115.5 25.5 -67.2 -53.3 10.7 14.0 -11.8 81 81 A K H < S+ 0 0 132 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.815 114.2 67.9 -80.3 -32.6 13.7 11.8 -12.4 82 82 A R H < S+ 0 0 69 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.883 121.9 17.0 -53.9 -41.3 15.9 14.7 -13.7 83 83 A K H < 0 0 164 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.832 360.0 360.0 -98.7 -45.9 15.9 16.1 -10.1 84 84 A G < 0 0 37 -4,-2.2 -77,-0.3 -5,-0.5 -78,-0.2 0.878 360.0 360.0 66.9 360.0 14.8 13.1 -8.1