==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-MAY-09 3HGX . COMPND 2 MOLECULE: SALICYLATE BIOSYNTHESIS PROTEIN PCHB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Q.LUO,A.L.LAMB . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 78.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 0 0 0 0 0 0 0 0 2 0 1 1 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 M 0 0 121 0, 0.0 2,-0.1 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 122.9 -26.6 -11.3 -0.5 2 2 A K - 0 0 88 10,-0.3 5,-0.0 1,-0.1 3,-0.0 -0.392 360.0 -96.5 -80.1 164.8 -27.9 -12.2 -4.0 3 3 A T > - 0 0 56 -2,-0.1 4,-1.0 1,-0.1 3,-0.5 -0.422 39.8-105.7 -70.4 159.4 -26.0 -12.0 -7.2 4 4 A P T >4 S+ 0 0 6 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.934 122.4 51.3 -51.7 -46.3 -26.4 -8.7 -9.3 5 5 A E T 34 S+ 0 0 141 1,-0.2 -3,-0.0 3,-0.0 128,-0.0 0.776 108.1 50.9 -60.4 -33.8 -28.6 -10.7 -11.8 6 6 A D T 34 S+ 0 0 108 -3,-0.5 -1,-0.2 6,-0.0 2,-0.2 0.560 78.2 119.3 -88.7 -9.3 -30.9 -12.1 -9.1 7 7 A C << - 0 0 6 -4,-1.0 3,-0.1 -3,-0.9 0, 0.0 -0.404 45.1-165.9 -59.2 125.2 -31.7 -8.8 -7.3 8 8 A T - 0 0 103 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.731 63.6 -21.3 -85.1 -29.1 -35.5 -8.1 -7.5 9 9 A G S > S- 0 0 18 1,-0.0 4,-2.0 131,-0.0 3,-0.5 -0.898 84.8 -64.8-163.8-171.2 -35.3 -4.5 -6.4 10 10 A L H > S+ 0 0 61 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.751 122.3 63.5 -66.5 -25.3 -33.4 -1.7 -4.7 11 11 A A H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 107.9 40.7 -64.1 -44.8 -33.7 -3.5 -1.3 12 12 A D H > S+ 0 0 33 -3,-0.5 4,-1.7 2,-0.2 -10,-0.3 0.873 115.5 52.1 -69.2 -41.6 -31.6 -6.5 -2.6 13 13 A I H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.930 111.6 46.4 -57.0 -49.3 -29.2 -4.1 -4.5 14 14 A R H X S+ 0 0 75 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.807 105.9 58.4 -69.2 -32.7 -28.7 -2.1 -1.3 15 15 A E H X S+ 0 0 105 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.940 110.9 43.6 -56.7 -48.0 -28.2 -5.2 0.9 16 16 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.898 114.3 49.3 -64.0 -44.3 -25.3 -6.2 -1.4 17 17 A I H X S+ 0 0 13 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.863 109.0 52.3 -66.8 -37.8 -23.9 -2.6 -1.5 18 18 A D H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.933 110.1 49.9 -62.4 -43.9 -24.0 -2.3 2.3 19 19 A R H X S+ 0 0 89 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.860 113.5 44.7 -63.6 -37.3 -22.1 -5.6 2.6 20 20 A I H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.911 112.8 50.2 -75.2 -42.0 -19.4 -4.4 0.1 21 21 A D H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.915 111.8 48.6 -62.0 -41.4 -19.1 -1.0 1.7 22 22 A L H X S+ 0 0 33 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.898 108.2 54.9 -61.3 -42.1 -18.7 -2.6 5.1 23 23 A D H X S+ 0 0 67 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.885 110.2 46.8 -55.6 -41.5 -16.1 -5.0 3.5 24 24 A I H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.958 110.9 50.5 -67.9 -52.0 -14.2 -1.8 2.4 25 25 A V H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.890 112.4 47.6 -50.9 -43.6 -14.5 -0.1 5.8 26 26 A Q H X S+ 0 0 64 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.895 109.4 53.2 -67.2 -39.9 -13.1 -3.3 7.5 27 27 A A H X S+ 0 0 16 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.866 108.9 50.0 -59.5 -38.3 -10.3 -3.5 5.0 28 28 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.835 107.7 54.2 -69.3 -35.1 -9.4 0.1 5.9 29 29 A G H X S+ 0 0 6 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.886 111.7 43.2 -63.9 -44.4 -9.5 -0.8 9.6 30 30 A R H X S+ 0 0 165 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.851 109.0 58.8 -67.3 -38.2 -7.0 -3.6 9.1 31 31 A R H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.888 102.2 54.9 -60.3 -38.4 -5.0 -1.3 6.8 32 32 A M H X S+ 0 0 5 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.866 101.6 57.1 -59.7 -39.2 -4.7 1.0 9.8 33 33 A D H X S+ 0 0 92 -4,-1.0 4,-1.8 -3,-0.2 -2,-0.2 0.911 111.4 43.5 -57.3 -43.2 -3.2 -1.8 11.9 34 34 A Y H X S+ 0 0 30 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.862 112.2 51.6 -70.9 -39.3 -0.4 -2.2 9.3 35 35 A V H < S+ 0 0 6 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.908 111.2 48.4 -64.9 -42.6 0.2 1.5 8.9 36 36 A K H >< S+ 0 0 60 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.911 110.2 51.6 -64.1 -41.1 0.5 1.9 12.7 37 37 A A H >< S+ 0 0 13 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.826 99.6 65.5 -62.5 -33.7 2.9 -1.0 12.8 38 38 A A G >< S+ 0 0 6 -4,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.666 83.5 75.5 -65.5 -18.3 5.0 0.6 10.1 39 39 A S G X S+ 0 0 9 -3,-1.2 3,-1.3 -4,-0.5 -1,-0.3 0.801 84.1 64.9 -65.8 -26.7 6.0 3.5 12.4 40 40 A R G < S+ 0 0 129 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.578 95.8 59.5 -74.6 -4.8 8.4 1.2 14.3 41 41 A F G < S+ 0 0 68 -3,-1.5 2,-0.4 -4,-0.1 -1,-0.3 0.039 88.7 87.5-107.7 24.3 10.5 1.0 11.0 42 42 A A < - 0 0 16 -3,-1.3 6,-0.1 1,-0.1 3,-0.0 -0.989 58.8-161.1-125.2 121.8 11.1 4.7 10.8 43 43 A A S S+ 0 0 106 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 0.842 82.1 7.8 -68.2 -35.9 14.1 6.3 12.7 44 44 A S S > S- 0 0 62 1,-0.0 3,-0.6 0, 0.0 4,-0.3 -0.858 80.2-107.2-135.1 168.1 12.5 9.8 12.5 45 45 A E G > S+ 0 0 53 -2,-0.3 3,-1.1 1,-0.2 46,-0.0 0.724 115.6 69.2 -67.1 -26.0 9.1 11.2 11.5 46 46 A A G 3 S+ 0 0 87 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.828 94.1 56.4 -61.0 -33.8 10.8 12.6 8.4 47 47 A A G < S+ 0 0 58 -3,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.654 91.8 77.3 -70.3 -18.4 11.2 9.0 7.1 48 48 A I S < S+ 0 0 12 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.931 83.3 54.2 -67.0 -54.3 7.5 8.4 7.3 49 49 A P S S- 0 0 47 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.762 76.8-172.6 -54.8 -29.3 5.9 10.1 4.2 50 50 A A >> - 0 0 27 -4,-0.4 3,-1.5 -3,-0.3 4,-1.4 0.822 6.7-166.4 36.6 68.1 8.3 8.1 1.9 51 51 A P H 3> S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.737 83.4 62.9 -56.4 -29.1 7.4 10.0 -1.4 52 52 A E H 3> S+ 0 0 166 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.869 104.4 47.1 -64.1 -39.8 9.2 7.3 -3.4 53 53 A R H <> S+ 0 0 42 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.880 110.9 51.7 -66.6 -41.4 6.7 4.7 -2.1 54 54 A V H X S+ 0 0 17 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.932 107.4 52.7 -63.5 -44.6 3.7 6.9 -2.9 55 55 A A H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.8 42.6 -61.8 -35.7 4.9 7.5 -6.5 56 56 A A H X S+ 0 0 62 -4,-1.2 4,-0.9 2,-0.1 -1,-0.2 0.810 111.3 55.3 -77.8 -34.2 5.2 3.8 -7.1 57 57 A M H X S+ 0 0 9 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.889 99.5 62.6 -66.2 -41.3 1.9 2.9 -5.3 58 58 A L H >X S+ 0 0 33 -4,-2.0 4,-1.9 1,-0.2 3,-0.5 0.927 105.1 38.8 -55.8 -63.6 -0.2 5.3 -7.4 59 59 A P H 3> S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.773 112.6 60.7 -61.5 -25.2 0.2 3.9 -11.0 60 60 A E H 3X S+ 0 0 66 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.876 107.5 43.3 -66.5 -40.5 0.0 0.3 -9.5 61 61 A R H <>S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 3,-0.6 0.903 107.8 47.3 -57.9 -44.9 -8.5 -0.3 -11.4 66 66 A E H ><5S+ 0 0 132 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.876 107.5 56.2 -64.7 -39.4 -8.3 -1.0 -15.2 67 67 A E H 3<5S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.659 111.2 45.0 -69.0 -16.9 -8.1 -4.8 -14.5 68 68 A N T <<5S- 0 0 49 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.145 122.0-103.4-112.8 17.1 -11.3 -4.5 -12.5 69 69 A G T < 5S+ 0 0 63 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.801 77.7 129.2 67.9 34.2 -13.2 -2.4 -15.1 70 70 A L < - 0 0 10 -5,-3.0 2,-0.3 -8,-0.1 -1,-0.2 -0.881 69.8 -91.4-118.2 152.3 -12.9 0.9 -13.3 71 71 A D > - 0 0 78 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.464 34.2-148.4 -57.1 116.6 -11.8 4.4 -14.3 72 72 A A H > S+ 0 0 14 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.935 93.6 49.7 -55.4 -58.4 -8.0 4.6 -13.5 73 73 A P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.858 111.0 52.2 -52.7 -39.9 -7.8 8.3 -12.6 74 74 A F H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.959 114.9 38.8 -59.4 -56.1 -10.8 8.0 -10.3 75 75 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.891 116.3 52.5 -61.7 -43.3 -9.4 5.0 -8.3 76 76 A E H X S+ 0 0 69 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.848 108.5 52.2 -58.2 -37.8 -5.9 6.6 -8.4 77 77 A G H X S+ 0 0 32 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.856 107.2 52.4 -67.0 -38.1 -7.6 9.8 -7.0 78 78 A L H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.900 110.8 46.6 -62.4 -43.2 -9.1 7.8 -4.2 79 79 A F H X S+ 0 0 1 -4,-2.0 4,-3.7 2,-0.2 5,-0.3 0.894 102.9 60.5 -72.7 -39.7 -5.8 6.3 -3.1 80 80 A A H X S+ 0 0 30 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.913 113.2 41.5 -48.2 -45.3 -3.9 9.6 -3.3 81 81 A Q H X S+ 0 0 78 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.928 115.3 48.2 -67.6 -49.9 -6.3 10.7 -0.6 82 82 A I H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.943 112.6 49.8 -52.7 -50.5 -6.3 7.4 1.4 83 83 A I H X S+ 0 0 7 -4,-3.7 4,-2.3 1,-0.2 -2,-0.2 0.929 110.7 47.6 -63.5 -48.5 -2.5 7.3 1.4 84 84 A H H X S+ 0 0 112 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.834 109.6 54.7 -62.0 -33.0 -2.1 10.9 2.7 85 85 A W H X S+ 0 0 61 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.923 111.2 45.0 -59.7 -45.5 -4.7 10.3 5.4 86 86 A Y H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.817 108.8 55.3 -73.6 -33.2 -2.7 7.3 6.6 87 87 A I H X S+ 0 0 23 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.945 111.7 44.9 -58.6 -48.4 0.6 9.1 6.4 88 88 A A H X S+ 0 0 56 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.850 115.0 47.8 -64.8 -37.5 -0.9 11.8 8.7 89 89 A E H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 110.9 52.8 -66.9 -39.5 -2.4 9.1 11.0 90 90 A Q H X S+ 0 0 23 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.916 107.7 49.5 -61.4 -47.7 1.0 7.3 11.0 91 91 A I H X S+ 0 0 40 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.904 110.4 50.9 -60.1 -44.6 2.9 10.4 12.1 92 92 A K H X S+ 0 0 106 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.932 112.6 46.1 -55.4 -50.8 0.4 11.1 14.9 93 93 A Y H X S+ 0 0 74 -4,-2.3 4,-1.7 2,-0.2 5,-0.3 0.882 111.3 53.8 -59.8 -41.3 0.8 7.5 16.1 94 94 A W H X S+ 0 0 41 -4,-2.8 4,-3.6 2,-0.2 3,-0.4 0.955 112.4 41.6 -56.8 -55.1 4.6 7.8 15.8 95 95 A R H < S+ 0 0 158 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.916 112.9 56.6 -58.3 -46.5 4.7 11.0 18.0 96 96 A Q H < S+ 0 0 138 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.820 127.1 17.0 -49.7 -39.9 2.2 9.4 20.4 97 97 A T H < 0 0 74 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.622 360.0 360.0-114.1 -20.7 4.4 6.3 21.0 98 98 A R < 0 0 233 -4,-3.6 -3,-0.2 -5,-0.3 -4,-0.1 0.974 360.0 360.0 58.9 360.0 7.8 7.5 19.8 99 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 1 B M 0 0 131 0, 0.0 2,-0.3 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 111.2 1.9 -12.7 4.5 101 2 B K - 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0 0 8 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.967 68.3-110.1-128.3 140.1 -11.1 5.1 12.3 170 71 B D > - 0 0 87 -2,-0.4 4,-0.8 1,-0.1 3,-0.2 -0.467 34.5-139.0 -60.6 131.6 -12.0 8.8 12.6 171 72 B A H >> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 3,-1.2 0.959 84.9 66.6 -65.3 -59.7 -15.4 9.1 10.8 172 73 B P H 3> S+ 0 0 103 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.761 104.3 46.6 -39.1 -46.3 -15.3 12.4 8.8 173 74 B F H 3> S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.899 115.0 45.9 -62.9 -43.2 -12.6 11.2 6.4 174 75 B V H