==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-00 1DT6 . COMPND 2 MOLECULE: CYTOCHROME P450 2C5; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR P.A.WILLIAMS,J.COSME,V.SRIDHAR,E.F.JOHNSON,D.E.MCREE . 449 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 25 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 1 0 1 0 0 1 1 0 3 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 0 1 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 . 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 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 30 A P 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.7 -18.6 -18.7 0.7 2 31 A P - 0 0 61 0, 0.0 35,-0.1 0, 0.0 337,-0.1 -0.160 360.0 -66.1 -74.6 173.8 -16.4 -18.8 -2.5 3 32 A G - 0 0 4 33,-0.2 34,-0.2 1,-0.1 33,-0.2 -0.230 67.7 -88.2 -59.1 151.5 -13.4 -21.1 -3.0 4 33 A P - 0 0 55 0, 0.0 33,-3.7 0, 0.0 -1,-0.1 0.209 52.8-156.4 -48.4-179.8 -10.4 -20.5 -0.7 5 34 A T - 0 0 29 31,-0.2 2,-2.4 -3,-0.1 33,-0.2 -0.992 33.7-101.7-168.9 157.2 -7.7 -18.0 -1.7 6 35 A P S S- 0 0 5 0, 0.0 33,-0.2 0, 0.0 10,-0.1 -0.414 71.8-103.9 -78.3 63.1 -4.2 -16.5 -1.6 7 36 A F - 0 0 145 -2,-2.4 31,-0.0 31,-0.1 32,-0.0 0.641 38.8-129.0 11.0 108.3 -5.3 -13.7 0.8 8 37 A P - 0 0 61 0, 0.0 5,-0.2 0, 0.0 34,-0.1 0.372 7.2-143.1 -56.4-162.7 -5.6 -10.4 -1.2 9 38 A I - 0 0 90 3,-1.3 4,-0.1 30,-0.1 -2,-0.0 0.609 52.3 -72.9-139.9 -32.9 -4.0 -7.1 -0.2 10 39 A I S S+ 0 0 157 2,-0.6 32,-0.1 31,-0.3 3,-0.1 0.418 119.2 11.6 125.9 90.0 -6.4 -4.1 -0.9 11 40 A G S S+ 0 0 42 30,-0.4 2,-0.2 1,-0.0 31,-0.2 0.515 130.6 26.1 97.5 6.9 -6.7 -3.2 -4.5 12 41 A N - 0 0 62 29,-0.2 -3,-1.3 1,-0.1 -2,-0.6 -0.883 32.4-168.9 170.5 158.2 -5.0 -6.4 -5.6 13 42 A I > + 0 0 0 26,-0.8 3,-1.3 -2,-0.2 27,-0.1 0.090 66.7 112.7-136.9 5.0 -3.8 -10.0 -5.3 14 43 A L G > + 0 0 97 1,-0.3 3,-0.8 25,-0.2 26,-0.1 0.481 46.9 112.5 -58.7 -0.8 -1.5 -9.6 -8.3 15 44 A Q G 3 S+ 0 0 93 1,-0.3 2,-0.4 -9,-0.1 -1,-0.3 0.890 83.2 21.1 -39.5 -53.9 0.8 -10.1 -5.3 16 45 A I G < S+ 0 0 57 -3,-1.3 2,-0.3 -10,-0.1 -1,-0.3 -0.662 90.3 102.5-130.1 82.2 1.9 -13.4 -6.7 17 46 A D < - 0 0 44 -3,-0.8 4,-0.1 -2,-0.4 5,-0.1 -0.964 46.1-158.5-150.8 139.6 1.5 -14.0 -10.5 18 47 A A - 0 0 63 -2,-0.3 3,-0.3 2,-0.2 -2,-0.0 0.237 47.8 -73.7 -97.4-141.4 4.3 -13.8 -13.1 19 48 A K S S+ 0 0 189 1,-0.2 412,-0.5 2,-0.1 414,-0.1 -0.072 133.7 56.2-106.7 21.2 4.4 -13.3 -16.8 20 49 A D >> + 0 0 55 410,-0.1 3,-3.0 1,-0.0 4,-0.8 -0.425 68.9 173.5-152.0 60.1 3.2 -16.9 -16.8 21 50 A I H >> S+ 0 0 27 -3,-0.3 4,-2.3 1,-0.3 3,-0.9 0.824 78.8 59.7 -40.2 -45.2 -0.0 -16.6 -14.7 22 51 A S H 3> S+ 0 0 6 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.782 98.7 60.4 -58.8 -26.4 -0.9 -20.2 -15.5 23 52 A K H <4 S+ 0 0 112 -3,-3.0 4,-0.3 1,-0.2 -1,-0.3 0.818 114.0 34.0 -71.5 -32.6 2.4 -21.2 -13.8 24 53 A S H 4 S+ 0 0 82 -4,-0.3 3,-0.6 2,-0.2 -2,-0.2 0.972 112.0 46.1 -64.6 -47.7 1.3 -23.0 -7.6 28 57 A F H >X>S+ 0 0 14 -4,-2.6 3,-2.1 1,-0.3 4,-0.8 0.893 105.8 56.6 -58.1 -47.1 -2.0 -21.9 -6.0 29 58 A S H 3X5S+ 0 0 17 -4,-1.6 4,-1.0 1,-0.3 -1,-0.3 0.838 92.0 74.0 -55.9 -32.3 -3.8 -25.1 -6.9 30 59 A E H <<5S+ 0 0 154 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.436 116.1 16.2 -63.0 2.0 -1.1 -26.9 -5.1 31 60 A C H <45S+ 0 0 104 -3,-2.1 -2,-0.2 2,-0.2 -3,-0.1 0.329 128.0 41.0-131.5 -86.4 -2.8 -25.7 -1.9 32 61 A Y H <5S- 0 0 57 -4,-0.8 3,-0.3 1,-0.2 -3,-0.2 0.724 104.7-137.7 -41.6 -29.1 -6.3 -24.4 -2.1 33 62 A G << - 0 0 13 -4,-1.0 -2,-0.2 -5,-0.6 -1,-0.2 -0.523 44.6 -26.4 102.0-169.3 -7.0 -27.2 -4.5 34 63 A P S S+ 0 0 51 0, 0.0 15,-3.1 0, 0.0 2,-0.5 0.750 132.9 40.7 -54.9 -28.4 -8.9 -27.7 -7.8 35 64 A V E S+A 48 0A 4 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.958 71.9 135.9-130.5 115.5 -11.2 -24.8 -6.9 36 65 A F E -A 47 0A 0 11,-1.4 11,-3.5 -2,-0.5 2,-0.3 -0.867 38.4-132.2-142.7 171.0 -9.8 -21.6 -5.3 37 66 A T E -A 46 0A 1 -33,-3.7 9,-0.3 9,-0.3 2,-0.3 -0.950 16.9-171.7-131.6 153.6 -10.4 -17.9 -6.0 38 67 A V E -A 45 0A 1 7,-2.4 7,-1.9 -2,-0.3 2,-0.6 -0.829 26.6-114.3-134.2 172.6 -8.1 -15.0 -6.4 39 68 A Y E -A 44 0A 55 -2,-0.3 2,-2.7 5,-0.2 -26,-0.8 -0.810 18.0-173.6-119.8 93.6 -8.5 -11.3 -6.6 40 69 A L S S- 0 0 78 3,-0.6 2,-0.5 -2,-0.6 3,-0.1 -0.250 82.9 -44.1 -76.5 53.0 -7.5 -9.8 -10.0 41 70 A G S S- 0 0 19 -2,-2.7 -30,-0.4 1,-0.1 -31,-0.3 -0.954 116.5 -26.1 128.1-111.8 -8.1 -6.4 -8.4 42 71 A M S S+ 0 0 165 -2,-0.5 -1,-0.1 -31,-0.2 -30,-0.1 0.475 117.0 80.0-115.7 -10.8 -11.2 -5.9 -6.2 43 72 A K S S- 0 0 146 -3,-0.1 -3,-0.6 1,-0.0 2,-0.2 -0.769 79.6-118.1-102.0 144.7 -13.4 -8.5 -7.8 44 73 A P E -A 39 0A 42 0, 0.0 300,-1.3 0, 0.0 2,-0.3 -0.515 26.9-177.7 -81.0 148.7 -13.3 -12.2 -7.0 45 74 A T E -Ab 38 344A 4 -7,-1.9 -7,-2.4 -2,-0.2 2,-0.3 -0.882 15.4-148.6-147.7 107.9 -12.5 -14.7 -9.8 46 75 A V E -Ab 37 345A 2 298,-0.9 300,-1.4 -2,-0.3 2,-0.4 -0.586 12.7-140.7 -80.2 140.7 -12.6 -18.4 -8.9 47 76 A V E -Ab 36 346A 0 -11,-3.5 -11,-1.4 -2,-0.3 2,-0.6 -0.869 3.7-151.8-107.3 133.9 -10.2 -20.7 -10.7 48 77 A L E +Ab 35 347A 0 298,-2.0 300,-2.3 -2,-0.4 -13,-0.2 -0.921 28.7 157.1-105.5 118.2 -11.0 -24.2 -11.9 49 78 A H + 0 0 25 -15,-3.1 -1,-0.1 -2,-0.6 -14,-0.1 0.838 38.3 76.3-112.8 -50.3 -7.9 -26.4 -12.1 50 79 A G S > S- 0 0 22 -16,-0.2 4,-1.5 1,-0.1 302,-0.1 -0.084 81.4-117.5 -57.5 171.3 -8.3 -30.1 -11.9 51 80 A Y H > S+ 0 0 45 2,-0.2 4,-2.9 300,-0.2 5,-0.3 0.925 119.4 49.4 -73.5 -42.8 -9.5 -31.8 -15.1 52 81 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.916 108.4 52.3 -58.7 -45.4 -12.5 -32.9 -13.1 53 82 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.900 113.9 44.9 -59.1 -40.7 -13.1 -29.4 -11.8 54 83 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.5 0.945 115.2 42.3 -71.0 -52.1 -13.0 -28.1 -15.4 55 84 A K H X>S+ 0 0 70 -4,-2.9 4,-4.0 1,-0.2 5,-1.2 0.979 114.7 53.3 -58.2 -54.4 -15.2 -30.6 -17.2 56 85 A E H <>S+ 0 0 51 -4,-2.3 5,-1.4 -5,-0.3 -1,-0.2 0.841 118.8 35.1 -46.9 -44.0 -17.7 -30.6 -14.3 57 86 A A H X5S+ 0 0 0 -4,-1.5 4,-1.3 -5,-0.3 8,-0.4 0.981 126.3 36.2 -73.1 -73.4 -18.0 -26.8 -14.5 58 87 A L H <5S+ 0 0 2 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.760 133.7 23.9 -49.9 -40.8 -17.6 -26.3 -18.3 59 88 A V T ><5S+ 0 0 56 -4,-4.0 3,-1.0 -5,-0.5 -3,-0.2 0.909 127.5 38.6 -93.7 -59.2 -19.5 -29.4 -19.4 60 89 A D T 344 S+ 0 0 91 -3,-0.2 3,-0.9 1,-0.2 266,-0.3 0.758 115.2 61.5 -78.3 -23.2 -25.4 -22.7 -18.8 64 93 A E T 34 S+ 0 0 85 1,-0.2 265,-1.9 -7,-0.1 -2,-0.2 0.970 111.5 36.1 -63.9 -52.6 -24.3 -21.9 -15.3 65 94 A F T 3< S+ 0 0 3 -4,-2.5 2,-0.3 -8,-0.4 -1,-0.2 -0.179 85.6 112.6 -94.5 39.4 -20.6 -21.3 -16.3 66 95 A A < + 0 0 3 -3,-0.9 -1,-0.1 -2,-0.2 2,-0.1 -0.352 49.8 96.3-111.8 58.0 -21.2 -19.7 -19.7 67 96 A G - 0 0 0 -2,-0.3 261,-0.1 1,-0.1 18,-0.1 -0.372 43.6-165.9-122.4-159.4 -20.0 -16.1 -19.4 68 97 A R - 0 0 41 258,-0.4 277,-0.1 -2,-0.1 -1,-0.1 0.265 18.4-152.2-153.7 -68.3 -17.0 -13.7 -20.0 69 98 A G + 0 0 39 1,-0.2 2,-0.3 258,-0.1 257,-0.0 0.974 35.6 123.8 77.4 90.4 -17.0 -10.3 -18.4 70 99 A S - 0 0 71 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.985 32.8-164.0-165.5 165.1 -15.1 -7.4 -20.0 71 100 A V > + 0 0 108 -2,-0.3 3,-2.7 2,-0.0 -1,-0.1 0.786 64.1 74.5-125.5 -55.7 -15.4 -3.8 -21.4 72 101 A P T 3 S+ 0 0 62 0, 0.0 -2,-0.0 0, 0.0 119,-0.0 0.805 89.6 63.6 -27.4 -76.5 -12.8 -2.1 -23.6 73 102 A I T 3 S+ 0 0 59 1,-0.3 2,-0.9 2,-0.1 3,-0.3 0.606 95.2 65.9 -27.2 -26.9 -13.5 -4.0 -26.9 74 103 A L S < S+ 0 0 67 -3,-2.7 -1,-0.3 1,-0.2 3,-0.1 -0.601 76.4 104.7-101.4 68.5 -17.0 -2.3 -26.7 75 104 A E + 0 0 67 -2,-0.9 2,-0.8 1,-0.2 -1,-0.2 0.791 61.6 52.4-117.5 -47.1 -15.7 1.2 -27.2 76 105 A K S S- 0 0 60 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.877 134.9 -52.3-101.2 105.4 -16.3 2.8 -30.7 77 106 A V S S+ 0 0 93 -2,-0.8 2,-1.1 1,-0.2 -1,-0.2 0.744 98.7 148.2 33.2 32.9 -20.0 2.4 -31.5 78 107 A S - 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0 0 2 -2,-1.5 4,-1.7 1,-0.1 -6,-0.2 -0.039 25.3-112.6 -57.1 161.3 -17.4 -26.4 -49.1 112 141 A I H > S+ 0 0 2 -8,-2.3 4,-2.6 1,-0.2 5,-0.2 0.843 119.4 60.1 -65.5 -30.5 -15.1 -24.9 -46.5 113 142 A E H > S+ 0 0 32 -9,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.889 102.1 50.6 -63.3 -40.2 -12.8 -27.8 -47.2 114 143 A D H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 111.4 50.1 -62.6 -40.7 -12.5 -26.7 -50.8 115 144 A R H X S+ 0 0 3 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.881 109.9 47.8 -65.4 -40.2 -11.7 -23.3 -49.6 116 145 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.895 111.9 53.7 -65.7 -38.7 -9.0 -24.5 -47.2 117 146 A Q H X S+ 0 0 36 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.851 105.5 51.5 -64.5 -36.7 -7.7 -26.5 -50.1 118 147 A E H >X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 3,-0.7 0.956 111.7 45.2 -67.6 -49.0 -7.5 -23.5 -52.4 119 148 A E H 3X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.3 5,-0.2 0.902 106.4 62.4 -60.2 -39.8 -5.5 -21.5 -49.9 120 149 A A H 3X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -1,-0.3 0.838 104.4 47.4 -54.5 -35.7 -3.3 -24.5 -49.3 121 150 A R H X S+ 0 0 91 -4,-2.8 4,-1.6 1,-0.2 3,-1.2 0.979 112.4 42.4 -56.9 -62.7 3.2 -21.8 -54.1 126 155 A E H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.711 109.5 59.1 -61.2 -20.0 4.3 -18.7 -52.3 127 156 A L H >< S+ 0 0 1 -4,-1.2 3,-1.0 -5,-0.2 5,-0.4 0.826 104.4 53.7 -74.2 -30.3 6.4 -20.9 -50.0 128 157 A R H X< S+ 0 0 75 -4,-1.4 3,-2.5 -3,-1.2 4,-0.3 0.907 94.4 65.5 -66.7 -44.1 8.1 -21.9 -53.2 129 158 A K T 3< S+ 0 0 110 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.492 80.2 85.1 -58.5 -1.1 8.8 -18.3 -54.1 130 159 A T T X S- 0 0 33 -3,-1.0 3,-2.0 315,-0.1 -1,-0.3 0.571 91.9-143.3 -76.6 -8.2 11.1 -18.4 -51.0 131 160 A N T < - 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