==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 10-MAY-07 2JPF . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PARAPERTUSSIS; . AUTHOR G.S.SHAW,M.J.REVINGTON,A.SAVICHENKO,C.H.ARROWSMITH,ONTARIO . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 62.3 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 . 3 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.7 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 1 1 1 0 0 0 0 0 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 K 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.7 13.2 72.2 52.6 2 2 A Q + 0 0 171 1,-0.0 0, 0.0 3,-0.0 0, 0.0 0.901 360.0 156.0 60.3 42.4 15.8 70.9 55.0 3 3 A Q + 0 0 190 2,-0.1 2,-0.1 0, 0.0 -1,-0.0 0.957 53.8 64.2 -63.2 -52.9 18.6 71.8 52.7 4 4 A L S S- 0 0 121 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.410 86.2-123.8 -73.5 149.4 21.3 72.1 55.4 5 5 A Q + 0 0 177 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.606 32.3 171.5 -93.9 155.0 22.2 69.0 57.4 6 6 A E + 0 0 155 -2,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.989 8.8 179.2-158.7 157.4 22.1 68.6 61.2 7 7 A H + 0 0 177 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.987 2.9 171.5-160.2 155.0 22.5 66.1 63.9 8 8 A A - 0 0 76 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.982 44.7 -72.9-160.8 165.7 22.4 65.8 67.7 9 9 A P S S+ 0 0 133 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.528 72.3 122.2 -69.7 116.6 22.3 63.3 70.7 10 10 A S - 0 0 104 -2,-0.5 2,-0.3 0, 0.0 -2,-0.0 -0.981 59.8 -93.6-166.9 165.0 19.0 61.6 70.9 11 11 A H - 0 0 156 -2,-0.3 2,-0.2 3,-0.0 3,-0.0 -0.693 37.4-164.3 -91.6 141.4 17.2 58.2 70.9 12 12 A A >> - 0 0 35 -2,-0.3 4,-1.0 1,-0.1 3,-0.7 -0.702 37.2 -99.4-118.8 171.4 15.8 56.7 67.6 13 13 A N T 34 S+ 0 0 56 1,-0.2 3,-0.4 -2,-0.2 22,-0.1 0.886 119.5 63.6 -56.2 -41.0 13.4 53.9 66.7 14 14 A L T 34 S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.883 95.2 60.6 -51.0 -42.5 16.4 51.6 66.0 15 15 A D T <4 S+ 0 0 92 -3,-0.7 -1,-0.2 2,-0.0 -2,-0.2 0.934 91.5 78.0 -51.4 -52.5 17.3 51.9 69.7 16 16 A V S < S- 0 0 31 -4,-1.0 3,-0.1 -3,-0.4 6,-0.0 -0.344 85.7-124.7 -62.4 137.3 14.0 50.4 70.8 17 17 A K - 0 0 109 1,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.123 38.8 -72.3 -74.7 176.8 13.8 46.6 70.4 18 18 A W > - 0 0 151 3,-0.1 3,-1.9 1,-0.1 -1,-0.2 0.021 58.1 -86.5 -61.8 175.9 11.1 44.7 68.5 19 19 A L T 3 S+ 0 0 12 39,-1.0 3,-0.1 1,-0.3 -1,-0.1 0.765 114.3 90.2 -57.2 -24.9 7.6 44.4 69.8 20 20 A D T 3 S- 0 0 118 38,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.817 102.7-106.5 -40.8 -36.8 8.8 41.4 71.7 21 21 A G < - 0 0 21 -3,-1.9 2,-0.4 10,-0.0 -1,-0.2 -0.497 22.9 -95.5 125.7 164.4 9.5 43.8 74.5 22 22 A L - 0 0 26 4,-0.3 9,-0.1 -2,-0.2 10,-0.1 -0.976 18.8-171.4-123.6 127.7 12.4 45.6 76.2 23 23 A R S S- 0 0 197 -2,-0.4 -1,-0.2 2,-0.0 0, 0.0 0.954 91.6 -7.1 -78.0 -54.9 14.0 44.4 79.4 24 24 A A S S+ 0 0 58 2,-0.1 3,-0.5 3,-0.1 -2,-0.1 0.705 120.4 79.0-111.5 -35.8 16.3 47.4 80.2 25 25 A G S S- 0 0 62 1,-0.2 2,-0.3 -4,-0.1 -9,-0.1 0.898 118.4 -5.8 -38.1 -63.5 15.8 49.5 77.1 26 26 A S S S+ 0 0 31 1,-0.1 5,-0.4 2,-0.1 -4,-0.3 -0.839 71.8 146.8-144.0 102.3 12.4 50.9 78.2 27 27 A M S S+ 0 0 138 -3,-0.5 -1,-0.1 -2,-0.3 -2,-0.1 0.872 77.0 42.5 -97.8 -57.1 10.8 49.6 81.3 28 28 A A S S+ 0 0 104 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.978 122.1 33.0 -54.3 -64.3 8.9 52.6 82.8 29 29 A L S S- 0 0 84 77,-0.1 2,-0.7 1,-0.0 77,-0.1 -0.533 92.5-106.0 -93.7 162.0 7.5 53.9 79.5 30 30 A Q > - 0 0 73 -2,-0.2 4,-1.5 1,-0.2 -3,-0.1 -0.790 29.6-179.2 -92.2 112.3 6.5 51.8 76.4 31 31 A G H > S+ 0 0 5 -2,-0.7 4,-1.2 -5,-0.4 5,-0.2 0.684 75.9 68.1 -81.9 -18.7 9.0 52.1 73.6 32 32 A D H > S+ 0 0 22 2,-0.2 4,-0.7 -6,-0.1 -1,-0.1 0.975 117.2 19.6 -63.7 -57.4 7.0 49.8 71.4 33 33 A V H > S+ 0 0 8 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.878 114.9 70.1 -80.7 -41.2 4.1 52.2 70.8 34 34 A K H X S+ 0 0 93 -4,-1.5 4,-0.8 1,-0.3 -1,-0.2 0.852 113.1 31.9 -43.5 -41.2 6.0 55.3 71.9 35 35 A V H X S+ 0 0 10 -4,-1.2 4,-3.2 2,-0.2 5,-0.3 0.697 98.8 86.1 -90.3 -22.9 8.0 55.0 68.6 36 36 A W H X S+ 0 0 14 -4,-0.7 4,-0.7 1,-0.2 19,-0.2 0.876 101.7 33.6 -43.4 -46.1 5.1 53.4 66.7 37 37 A M H >X S+ 0 0 16 -4,-1.3 4,-2.6 2,-0.2 3,-1.7 0.962 113.6 56.3 -76.3 -56.2 3.9 56.9 65.9 38 38 A Q H 3X S+ 0 0 73 -4,-0.8 4,-1.4 1,-0.3 5,-0.2 0.826 104.8 57.3 -44.7 -36.1 7.3 58.7 65.6 39 39 A N H 3X S+ 0 0 11 -4,-3.2 4,-1.6 1,-0.2 -1,-0.3 0.869 111.7 39.9 -65.0 -37.5 8.1 56.0 63.0 40 40 A L H X S+ 0 0 30 -4,-1.6 3,-2.2 -5,-0.2 4,-1.4 0.983 110.1 55.5 -66.7 -59.4 7.7 58.0 57.0 44 44 A H H 3< S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.809 94.9 73.6 -43.1 -33.9 4.1 59.2 56.6 45 45 A T H 34 S+ 0 0 100 -5,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.898 112.0 23.1 -48.6 -46.8 5.7 62.5 55.6 46 46 A R H << S+ 0 0 189 -3,-2.2 -2,-0.2 -4,-0.6 -1,-0.1 0.954 141.3 3.7 -84.7 -65.4 6.8 61.1 52.3 47 47 A R X - 0 0 161 -4,-1.4 4,-0.7 1,-0.1 -1,-0.3 -0.985 52.8-164.8-131.0 125.3 4.4 58.2 51.7 48 48 A P H >> S+ 0 0 64 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.948 90.8 60.0 -69.7 -51.3 1.5 57.2 53.9 49 49 A D H 34 S+ 0 0 126 1,-0.3 4,-0.2 2,-0.2 3,-0.1 0.758 110.3 46.5 -49.4 -25.1 0.9 53.8 52.5 50 50 A E H >> S+ 0 0 102 -3,-0.2 3,-1.6 1,-0.2 4,-1.0 0.687 89.2 84.3 -90.6 -22.0 4.4 53.1 53.6 51 51 A F H XX S+ 0 0 32 -3,-1.6 3,-0.8 -4,-0.7 4,-0.8 0.868 93.0 48.2 -47.0 -42.1 3.9 54.6 57.1 52 52 A T H 3X S+ 0 0 55 -4,-0.8 4,-1.3 1,-0.2 -1,-0.3 0.723 101.0 66.0 -72.7 -21.7 2.5 51.3 58.2 53 53 A A H <> S+ 0 0 32 -3,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.710 93.0 64.1 -72.0 -20.4 5.5 49.6 56.6 54 54 A R H X< S+ 0 0 89 -4,-1.0 3,-1.1 -3,-0.8 4,-0.4 0.996 114.7 24.9 -66.0 -66.2 7.7 51.3 59.2 55 55 A L H >X S+ 0 0 7 -4,-0.8 4,-2.5 1,-0.2 3,-0.8 0.700 102.7 88.7 -72.4 -19.2 6.4 49.7 62.4 56 56 A Q H 3< S+ 0 0 100 -4,-1.3 4,-0.4 1,-0.3 -1,-0.2 0.805 88.4 51.0 -47.8 -31.8 5.2 46.7 60.3 57 57 A Q T << S+ 0 0 128 -3,-1.1 4,-0.3 -4,-0.5 -1,-0.3 0.863 117.2 37.7 -75.2 -37.7 8.7 45.3 61.0 58 58 A S T X4 S+ 0 0 22 -3,-0.8 3,-2.7 -4,-0.4 -39,-1.0 0.976 109.6 56.3 -77.0 -62.6 8.4 45.8 64.7 59 59 A T T 3X S+ 0 0 4 -4,-2.5 4,-3.3 1,-0.3 3,-0.3 0.726 91.2 81.8 -42.7 -22.7 4.8 45.0 65.4 60 60 A D H 3>>S+ 0 0 68 -5,-0.5 4,-3.0 -4,-0.4 5,-0.5 0.902 81.4 60.9 -51.6 -45.6 5.8 41.7 63.8 61 61 A A H <>5S+ 0 0 25 -3,-2.7 4,-3.0 -4,-0.3 -1,-0.2 0.928 114.7 32.8 -47.6 -54.7 7.2 40.5 67.1 62 62 A L H >5S+ 0 0 22 -4,-0.4 4,-3.0 -3,-0.3 5,-0.3 0.930 113.7 60.6 -69.9 -46.9 3.8 40.8 68.8 63 63 A Y H X5S+ 0 0 69 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.903 121.7 25.1 -46.1 -49.7 1.8 39.9 65.7 64 64 A S H X5S+ 0 0 64 -4,-3.0 4,-3.4 -5,-0.2 5,-0.4 0.898 115.5 63.5 -83.2 -45.6 3.5 36.5 65.6 65 65 A H H XXS+ 0 0 74 -4,-3.0 4,-2.8 -5,-0.5 5,-0.5 0.844 109.6 43.9 -47.0 -37.7 4.4 36.2 69.2 66 66 A L H X>S+ 0 0 15 -4,-3.0 4,-1.9 3,-0.2 5,-0.8 0.981 114.0 45.1 -72.9 -60.4 0.7 36.2 69.9 67 67 A E H <5S+ 0 0 78 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.816 125.7 37.4 -53.5 -31.7 -0.4 33.8 67.2 68 68 A A H <5S+ 0 0 61 -4,-3.4 4,-0.4 2,-0.1 -2,-0.2 0.949 126.4 32.6 -84.7 -60.7 2.5 31.6 68.2 69 69 A Q H ><5S+ 0 0 112 -4,-2.8 3,-2.3 -5,-0.4 4,-0.4 0.972 120.9 49.2 -61.1 -57.2 2.6 32.0 72.0 70 70 A W G >X>>S- 0 0 67 -2,-0.7 4,-2.6 1,-0.0 3,-1.6 -0.974 80.0 -92.4-166.1 153.6 -4.7 33.2 63.6 80 80 A A T 345S+ 0 0 70 -2,-0.3 4,-0.5 1,-0.3 -1,-0.0 0.754 127.0 57.7 -39.7 -27.4 -3.6 36.1 61.4 81 81 A S T 345S+ 0 0 95 2,-0.1 -1,-0.3 3,-0.1 4,-0.2 0.913 120.2 24.1 -72.8 -44.4 -7.4 36.9 61.3 82 82 A D T X>5S+ 0 0 78 -3,-1.6 3,-3.0 -5,-0.3 4,-2.9 0.919 113.1 64.8 -85.8 -52.1 -7.7 37.1 65.1 83 83 A V T 3<5S+ 0 0 0 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.1 0.738 89.4 75.8 -43.5 -23.9 -4.1 38.1 66.1 84 84 A V T 34> S+ 0 0 116 1,-0.2 4,-3.0 2,-0.2 3,-1.6 0.817 104.6 77.5 -83.3 -33.7 -3.5 44.9 72.8 89 89 A W H 3>>S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 5,-0.5 0.862 85.9 64.0 -42.2 -44.6 -1.5 46.7 70.1 90 90 A Q H 345S+ 0 0 81 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.893 117.0 27.0 -48.3 -45.9 -4.6 46.8 68.0 91 91 A E H <>5S+ 0 0 154 -3,-1.6 4,-1.2 -4,-0.3 3,-0.5 0.932 119.6 55.6 -83.2 -53.0 -6.2 49.1 70.7 92 92 A Y H >X5S+ 0 0 101 -4,-3.0 3,-2.3 1,-0.3 4,-1.8 0.935 110.5 44.7 -43.5 -64.1 -3.1 50.7 72.2 93 93 A T H 3X>S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.3 5,-0.5 0.813 108.9 59.7 -52.6 -31.8 -1.9 52.0 68.8 94 94 A A H 344< S+ 0 0 195 -4,-1.6 3,-2.1 -5,-0.3 -2,-0.2 0.114 82.4 118.6 -84.5 22.8 -5.5 60.4 70.1 100 100 A F G > + 0 0 125 -4,-0.5 3,-1.5 1,-0.3 -1,-0.2 0.822 52.6 82.7 -57.5 -31.8 -2.0 61.5 69.0 101 101 A A G < S+ 0 0 93 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.722 112.5 17.4 -46.0 -21.4 -3.3 65.1 69.0 102 102 A G G < S- 0 0 52 -3,-2.1 2,-0.6 -6,-0.2 -1,-0.3 -0.304 78.3-169.3-152.3 60.8 -2.5 64.9 72.7 103 103 A L < + 0 0 66 -3,-1.5 -3,-0.1 1,-0.2 -7,-0.1 -0.373 31.6 141.2 -57.5 103.9 -0.2 62.1 73.5 104 104 A D + 0 0 142 -2,-0.6 -1,-0.2 -5,-0.1 -4,-0.0 0.640 47.9 84.1-116.4 -30.7 -0.4 62.0 77.3 105 105 A T 0 0 103 -3,-0.2 -2,-0.1 -10,-0.1 -9,-0.0 0.791 360.0 360.0 -44.6 -31.0 -0.3 58.3 78.1 106 106 A I 0 0 67 -77,-0.1 -77,-0.1 -72,-0.0 0, 0.0 -0.721 360.0 360.0 -91.7 360.0 3.5 58.6 77.8