==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-MAY-08 3DAM . COMPND 2 MOLECULE: CYTOCHROME P450 74A2; . SOURCE 2 ORGANISM_SCIENTIFIC: PARTHENIUM ARGENTATUM; . AUTHOR L.LI,X.WANG . 467 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 7.5 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 . 2 0.4 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 . 17 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 2 0 0 1 0 0 1 0 1 4 1 1 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 6 A K 0 0 96 0, 0.0 356,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 67.6 68.4 32.2 42.9 2 7 A P - 0 0 97 0, 0.0 356,-1.6 0, 0.0 2,-0.0 -0.156 360.0 -94.4 -56.8 145.3 70.6 35.3 43.5 3 8 A L B +a 358 0A 107 354,-0.2 2,-0.3 356,-0.0 356,-0.2 -0.373 54.3 171.3 -63.5 139.3 69.2 38.7 42.6 4 9 A R - 0 0 102 354,-2.0 356,-0.5 -3,-0.1 2,-0.2 -0.975 36.2-104.6-148.5 156.7 70.3 39.8 39.1 5 10 A E - 0 0 164 -2,-0.3 354,-0.0 354,-0.1 353,-0.0 -0.585 46.4-103.0 -81.7 147.5 69.5 42.5 36.6 6 11 A I - 0 0 5 -2,-0.2 41,-0.1 354,-0.2 -1,-0.1 -0.603 39.3-135.2 -74.1 122.7 67.3 41.4 33.7 7 12 A P + 0 0 19 0, 0.0 41,-2.7 0, 0.0 2,-0.1 -0.271 57.8 74.2 -72.0 164.9 69.5 41.0 30.6 8 13 A G - 0 0 23 39,-0.2 2,-0.3 56,-0.1 41,-0.2 -0.258 59.3-124.5 113.1 158.8 68.5 42.4 27.2 9 14 A S - 0 0 81 39,-0.5 41,-0.2 -2,-0.1 38,-0.0 -0.999 7.6-151.7-146.2 138.1 68.3 45.8 25.5 10 15 A Y - 0 0 49 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.576 42.5-161.2 -82.6 -11.8 65.6 47.8 23.7 11 16 A G - 0 0 35 5,-0.1 -1,-0.2 4,-0.1 38,-0.0 -0.004 47.5 -1.4 62.4-166.8 68.1 49.5 21.5 12 17 A I S > S- 0 0 109 1,-0.1 4,-2.4 2,-0.1 0, 0.0 -0.411 80.2-115.7 -62.0 122.5 67.6 52.8 19.6 13 18 A P T 4 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.411 101.2 11.0 -32.4 -26.1 64.0 54.0 20.1 14 19 A F T > S+ 0 0 105 3,-0.0 4,-0.7 40,-0.0 -2,-0.1 0.600 126.5 54.4-127.9 -37.3 62.6 53.7 16.6 15 20 A F H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.1 3,-0.5 0.927 105.8 50.6 -64.2 -53.2 65.2 51.8 14.7 16 21 A Q H X S+ 0 0 36 -4,-2.4 4,-3.7 1,-0.2 5,-0.3 0.922 104.8 52.6 -60.0 -51.8 65.4 48.8 16.9 17 22 A P H > S+ 0 0 4 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.786 112.7 47.3 -59.6 -23.7 61.8 47.8 17.3 18 23 A I H X S+ 0 0 48 -4,-0.7 4,-1.7 -3,-0.5 -2,-0.2 0.902 114.5 45.2 -80.5 -42.2 61.4 47.8 13.5 19 24 A K H X S+ 0 0 115 -4,-2.1 4,-1.9 1,-0.2 -3,-0.2 0.921 112.4 53.3 -64.6 -43.5 64.6 45.7 13.0 20 25 A D H X S+ 0 0 11 -4,-3.7 4,-2.6 1,-0.2 -1,-0.2 0.905 107.9 49.2 -60.4 -40.3 63.5 43.4 15.8 21 26 A R H X S+ 0 0 11 -4,-1.4 4,-2.7 -5,-0.3 5,-0.3 0.850 106.5 55.6 -70.5 -30.7 60.1 42.8 14.2 22 27 A L H X>S+ 0 0 61 -4,-1.7 4,-2.7 2,-0.2 5,-0.5 0.905 111.0 46.2 -64.6 -39.2 61.7 42.0 10.8 23 28 A E H X5S+ 0 0 73 -4,-1.9 4,-2.2 3,-0.2 -2,-0.2 0.952 111.3 51.9 -65.4 -48.4 63.7 39.4 12.6 24 29 A Y H <5S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 121.5 31.2 -55.0 -44.4 60.6 38.1 14.4 25 30 A F H <5S+ 0 0 9 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.776 135.0 21.5 -88.1 -30.3 58.6 37.7 11.1 26 31 A Y H <5S+ 0 0 65 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.572 88.1 112.0-118.7 -10.8 61.3 36.9 8.6 27 32 A G S >< S- 0 0 58 -2,-0.2 4,-1.2 -3,-0.1 3,-0.5 0.289 104.8-127.4 100.1 -10.8 63.3 29.7 12.5 30 35 A G H <> - 0 0 30 -3,-1.8 4,-1.7 1,-0.2 3,-0.2 -0.123 58.1 -30.3 68.0-162.2 60.5 32.2 13.1 31 36 A R H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.791 134.6 63.2 -62.9 -27.6 59.3 33.6 16.4 32 37 A D H > S+ 0 0 76 -3,-0.5 4,-3.0 1,-0.2 3,-0.4 0.966 107.2 41.7 -60.1 -51.2 60.5 30.4 18.2 33 38 A E H X S+ 0 0 60 -4,-1.2 4,-2.7 1,-0.2 5,-0.3 0.818 106.9 64.3 -63.7 -32.7 64.1 31.1 17.2 34 39 A Y H X S+ 0 0 3 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.914 113.8 32.8 -57.3 -43.3 63.5 34.8 18.0 35 40 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.4 -2,-0.2 0.871 117.2 54.1 -82.1 -40.6 63.0 33.7 21.6 36 41 A R H X S+ 0 0 93 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.883 106.8 51.4 -63.1 -39.9 65.4 30.7 21.7 37 42 A S H X S+ 0 0 32 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.872 111.0 46.8 -67.0 -37.3 68.4 32.7 20.4 38 43 A R H X S+ 0 0 32 -4,-0.8 4,-2.5 -5,-0.3 6,-0.2 0.856 109.9 55.4 -71.8 -33.0 68.0 35.5 23.0 39 44 A M H X>S+ 0 0 47 -4,-1.9 5,-1.6 2,-0.2 4,-1.2 0.965 113.4 40.5 -61.0 -51.6 67.6 32.7 25.6 40 45 A Q H ><5S+ 0 0 114 -4,-2.4 3,-0.6 2,-0.2 -2,-0.2 0.946 113.8 53.5 -61.4 -50.6 71.0 31.3 24.6 41 46 A K H 3<5S+ 0 0 147 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.864 121.7 30.4 -53.1 -41.8 72.6 34.7 24.2 42 47 A Y H 3<5S- 0 0 40 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.467 98.1-131.5 -99.6 -1.8 71.6 35.7 27.7 43 48 A Q T <<5S+ 0 0 146 -4,-1.2 2,-0.3 -3,-0.6 -3,-0.2 0.937 74.0 107.0 49.3 48.1 71.7 32.2 29.3 44 49 A S S > + 0 0 0 -3,-0.5 4,-2.2 1,-0.2 2,-1.0 -0.212 40.2 26.3 80.8-169.9 56.2 48.3 16.5 55 60 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 165,-0.1 0.167 124.9 14.1 -4.9 -34.8 56.5 52.0 15.3 56 61 A F T 34 S+ 0 0 122 -2,-1.0 166,-0.1 163,-0.3 164,-0.1 0.709 126.0 44.0-125.6 -31.1 53.1 53.1 14.3 57 62 A V T <4 S+ 0 0 8 -3,-0.8 2,-0.4 162,-0.3 35,-0.3 0.811 120.4 43.9 -79.5 -30.2 50.4 50.7 15.5 58 63 A S < - 0 0 6 -4,-2.2 -1,-0.1 33,-0.1 33,-0.1 -0.941 57.8-167.1-119.3 138.8 52.1 50.5 18.9 59 64 A S S S+ 0 0 127 -2,-0.4 32,-0.1 31,-0.4 -1,-0.1 0.358 86.8 36.9-100.7 2.7 53.5 53.4 20.9 60 65 A N + 0 0 61 30,-0.5 -1,-0.2 -6,-0.1 -6,-0.0 -0.649 53.8 166.4-157.5 93.2 55.4 51.1 23.4 61 66 A P + 0 0 16 0, 0.0 -10,-1.2 0, 0.0 2,-0.2 0.452 42.8 118.6 -87.0 -1.0 57.1 47.8 22.1 62 67 A K E +C 50 0B 89 -12,-0.2 304,-0.4 28,-0.1 2,-0.3 -0.482 34.9 153.1 -75.8 132.3 59.2 47.3 25.3 63 68 A V E -C 49 0B 0 -14,-2.0 -14,-2.1 -2,-0.2 2,-0.6 -0.946 45.5-121.9-149.0 169.5 58.6 44.1 27.3 64 69 A I E -Cd 48 367B 0 302,-2.1 304,-3.1 -2,-0.3 2,-0.3 -0.986 37.4-141.5-115.5 117.3 60.2 41.6 29.7 65 70 A V E -Cd 47 368B 0 -18,-3.6 -18,-1.5 -2,-0.6 2,-0.5 -0.686 12.2-161.4 -87.0 134.7 59.9 38.1 28.1 66 71 A L E +Cd 46 369B 0 302,-2.7 304,-1.8 -2,-0.3 -20,-0.2 -0.967 21.2 159.9-116.7 125.7 59.1 35.1 30.3 67 72 A L + 0 0 5 -22,-2.2 2,-0.3 -2,-0.5 -21,-0.1 0.424 49.0 78.1-125.2 -0.6 59.9 31.6 28.9 68 73 A D S > S- 0 0 3 -23,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.794 77.9-119.2-115.2 158.6 60.0 29.2 32.0 69 74 A A T 4 S+ 0 0 6 -2,-0.3 -1,-0.1 305,-0.2 305,-0.1 0.705 109.6 57.5 -64.5 -20.5 57.4 27.6 34.2 70 75 A K T 4 S+ 0 0 97 2,-0.1 283,-0.3 1,-0.1 -1,-0.2 0.850 114.5 31.3 -81.5 -35.8 58.7 29.4 37.3 71 76 A S T >4 S+ 0 0 3 -3,-0.4 3,-1.6 1,-0.1 4,-0.2 0.809 102.7 76.0 -92.5 -31.1 58.3 33.0 36.1 72 77 A F G >< S+ 0 0 0 -4,-2.1 3,-3.1 1,-0.3 4,-0.2 0.864 77.6 72.7 -47.8 -50.7 55.3 32.7 33.9 73 78 A P G >> S+ 0 0 49 0, 0.0 3,-2.8 0, 0.0 4,-1.1 0.711 78.1 78.6 -41.0 -27.0 52.6 32.4 36.7 74 79 A I G <4 S+ 0 0 16 -3,-1.6 6,-0.2 1,-0.3 7,-0.2 0.826 82.4 67.6 -54.2 -29.1 53.1 36.1 37.4 75 80 A L G <4 S+ 0 0 1 -3,-3.1 -1,-0.3 -4,-0.2 268,-0.1 0.645 99.8 48.9 -66.6 -14.7 50.9 36.7 34.3 76 81 A F T <4 S+ 0 0 35 -3,-2.8 2,-1.4 -4,-0.2 343,-0.3 0.792 85.1 96.2 -93.0 -32.3 47.9 35.2 36.2 77 82 A D >X - 0 0 59 -4,-1.1 4,-2.4 -3,-0.2 3,-1.8 -0.409 49.2-177.4 -63.6 87.7 48.3 37.2 39.4 78 83 A V T 34 S+ 0 0 37 -2,-1.4 -1,-0.2 1,-0.3 5,-0.1 0.544 78.3 68.7 -66.7 -4.1 45.9 40.1 38.9 79 84 A S T 34 S+ 0 0 79 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.738 114.6 26.2 -83.7 -23.2 47.0 41.6 42.2 80 85 A K T <4 S+ 0 0 74 -3,-1.8 267,-3.3 -6,-0.2 268,-0.5 0.702 120.7 52.8-109.9 -28.0 50.4 42.4 40.6 81 86 A V E < -E 346 0B 0 -4,-2.4 2,-0.3 265,-0.2 265,-0.2 -0.927 70.0-140.5-115.7 136.7 49.6 42.7 36.9 82 87 A E E -E 345 0B 65 263,-3.5 263,-2.1 -2,-0.4 -3,-0.1 -0.632 7.6-160.1 -86.0 149.0 47.0 44.9 35.3 83 88 A K + 0 0 16 -2,-0.3 2,-0.4 261,-0.2 3,-0.2 -0.305 37.7 139.2-126.2 50.3 45.2 43.4 32.4 84 89 A K S S- 0 0 87 1,-0.2 23,-0.2 2,-0.1 22,-0.1 -0.830 76.2 -20.2-101.7 133.3 43.8 46.4 30.6 85 90 A D S S+ 0 0 51 21,-3.2 -1,-0.2 -2,-0.4 3,-0.1 0.704 105.9 105.4 46.5 28.6 43.8 46.8 26.7 86 91 A L > + 0 0 5 20,-0.2 3,-1.8 19,-0.2 257,-0.3 0.196 29.7 115.2-120.9 19.5 46.5 44.1 26.4 87 92 A F T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -4,-0.1 3,-0.1 0.877 94.0 31.5 -52.8 -38.1 44.4 41.2 25.1 88 93 A T T 3 S- 0 0 20 3,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.134 119.0-111.3-108.0 18.0 46.5 41.5 21.9 89 94 A G S < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.2 254,-0.0 -0.718 79.5 2.2 101.0-143.4 49.7 42.8 23.3 90 95 A T S S+ 0 0 17 -38,-0.4 -30,-0.5 -2,-0.3 -31,-0.4 0.122 127.7 37.5 -78.0 21.5 51.5 46.1 23.0 91 96 A Y S S- 0 0 12 -33,-0.1 -3,-0.3 -6,-0.1 -33,-0.1 -0.960 72.2-136.8-160.6 162.2 48.6 47.6 21.0 92 97 A M - 0 0 32 -35,-0.3 3,-0.1 -2,-0.3 -6,-0.1 -0.997 26.6-114.9-130.4 132.8 44.9 47.4 20.9 93 98 A P - 0 0 7 0, 0.0 107,-0.1 0, 0.0 108,-0.1 -0.270 50.6 -84.0 -61.1 154.4 42.8 47.0 17.7 94 99 A S > - 0 0 44 1,-0.1 3,-1.7 106,-0.1 6,-0.1 -0.305 28.1-133.2 -61.0 139.2 40.5 50.0 17.1 95 100 A T G > >S+ 0 0 42 1,-0.3 5,-2.9 2,-0.2 3,-1.7 0.604 101.6 77.3 -69.6 -9.9 37.2 50.0 18.9 96 101 A K G > 5S+ 0 0 131 1,-0.3 3,-0.8 3,-0.2 -1,-0.3 0.789 89.4 59.6 -67.9 -22.6 35.5 50.9 15.6 97 102 A L G < 5S+ 0 0 8 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.516 108.9 43.4 -80.6 -5.0 36.1 47.2 14.9 98 103 A T G X 5S- 0 0 4 -3,-1.7 3,-1.0 3,-0.1 -1,-0.2 -0.044 127.0 -85.0-131.8 35.1 34.0 46.3 17.9 99 104 A G T < 5S- 0 0 23 -3,-0.8 -3,-0.2 1,-0.2 3,-0.1 0.558 80.8 -64.9 77.7 8.8 30.9 48.6 17.7 100 105 A G T 3 - 0 0 0 -2,-0.8 3,-2.2 159,-0.1 4,-0.4 -0.259 24.9 -89.0 -73.4 163.7 34.7 44.5 24.9 104 109 A L G > S+ 0 0 15 1,-0.3 3,-2.5 2,-0.2 14,-0.1 0.777 117.6 63.8 -36.5 -54.8 35.2 42.2 27.8 105 110 A S G 3 S+ 0 0 21 1,-0.3 -1,-0.3 -20,-0.0 -19,-0.2 0.670 104.8 48.4 -52.1 -20.8 38.6 40.6 26.8 106 111 A Y G < S+ 0 0 3 -3,-2.2 -21,-3.2 -21,-0.1 2,-0.3 0.474 91.5 103.5 -98.6 -3.6 40.3 44.0 27.0 107 112 A L < - 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