==== 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 LYASE 29-MAY-08 3DAN . COMPND 2 MOLECULE: CYTOCHROME P450 74A2; . SOURCE 2 ORGANISM_SCIENTIFIC: PARTHENIUM ARGENTATUM; . AUTHOR L.LI,X.WANG . 473 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 70.4 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 . 34 7.2 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 . 1 0.2 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 . 14 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 0 0 1 0 1 0 1 4 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 1 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 . 0 2 0 1 2 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 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 1 A M 0 0 134 0, 0.0 5,-0.1 0, 0.0 360,-0.0 0.000 360.0 360.0 360.0 165.2 -1.9 38.7 43.3 2 2 A D > - 0 0 94 1,-0.2 3,-2.5 2,-0.1 4,-0.1 -0.369 360.0-133.7 -60.5 130.7 -1.8 36.9 46.7 3 3 A P G > S+ 0 0 73 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.725 105.4 67.4 -59.4 -20.0 -1.0 33.2 46.1 4 4 A S G 3 S+ 0 0 99 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.621 96.9 55.1 -74.7 -11.6 -3.9 32.3 48.4 5 5 A S G < S+ 0 0 65 -3,-2.5 -1,-0.3 1,-0.1 -3,-0.1 0.330 88.6 87.3-100.0 3.3 -6.1 33.7 45.7 6 6 A K S < S- 0 0 14 -3,-1.3 356,-0.2 -4,-0.1 -1,-0.1 -0.834 76.3-145.7-106.2 94.1 -4.6 31.4 43.1 7 7 A P - 0 0 53 0, 0.0 356,-2.6 0, 0.0 2,-0.5 -0.171 20.8-106.8 -59.0 149.7 -6.7 28.2 43.3 8 8 A L B +a 363 0A 116 354,-0.2 2,-0.3 356,-0.0 356,-0.2 -0.698 52.3 175.7 -77.9 121.5 -5.0 24.8 42.6 9 9 A R - 0 0 147 354,-2.9 356,-0.5 -2,-0.5 2,-0.2 -0.856 35.9 -99.2-128.4 163.0 -6.2 23.7 39.2 10 10 A E - 0 0 169 -2,-0.3 354,-0.0 354,-0.1 353,-0.0 -0.552 49.8-102.0 -77.0 145.8 -5.6 20.9 36.8 11 11 A I - 0 0 5 354,-0.2 41,-0.1 -2,-0.2 -1,-0.1 -0.583 42.4-129.1 -70.2 120.4 -3.3 21.8 34.0 12 12 A P + 0 0 34 0, 0.0 41,-3.1 0, 0.0 2,-0.1 -0.273 62.9 62.4 -68.5 158.9 -5.5 22.5 30.9 13 13 A G - 0 0 24 39,-0.2 2,-0.3 56,-0.1 41,-0.2 -0.204 59.7-128.5 110.0 158.3 -4.7 20.8 27.6 14 14 A S - 0 0 87 39,-0.4 41,-0.2 -2,-0.1 38,-0.0 -0.957 9.0-144.1-142.3 157.5 -4.5 17.3 26.2 15 15 A Y - 0 0 48 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.610 40.2-164.1 -98.4 -14.8 -2.0 15.2 24.2 16 16 A G + 0 0 42 5,-0.1 -1,-0.2 4,-0.1 4,-0.0 -0.172 50.1 2.1 67.9-159.1 -4.6 13.4 22.1 17 17 A I S > S- 0 0 110 1,-0.1 4,-2.6 2,-0.1 0, 0.0 -0.535 80.4-121.3 -68.3 118.6 -4.1 10.2 20.0 18 18 A P T 4 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.711 96.9 14.3 -21.4 -76.8 -0.4 9.2 20.6 19 19 A F T > S+ 0 0 107 2,-0.1 4,-0.9 1,-0.1 -2,-0.1 0.892 128.0 53.0 -78.3 -44.0 1.3 9.1 17.1 20 20 A F H >> S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.925 104.4 49.5 -59.3 -56.3 -1.4 11.0 15.2 21 21 A Q H 3X S+ 0 0 45 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.889 105.7 55.1 -60.0 -43.5 -1.9 14.2 17.3 22 22 A P H 3> S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.838 110.3 48.2 -61.7 -27.4 1.8 15.1 17.5 23 23 A I H < S- 0 0 27 -4,-1.8 3,-2.0 -5,-0.5 6,-0.1 -0.335 81.2 -87.6 -70.2 154.0 -0.4 27.3 10.5 33 33 A T T 3 S+ 0 0 134 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 -0.404 116.8 24.3 -62.8 132.0 -1.3 30.9 10.0 34 34 A G T >> S- 0 0 57 -2,-0.1 4,-1.2 -3,-0.1 3,-0.5 0.355 104.7-127.2 94.9 -6.8 0.7 33.0 12.5 35 35 A G H X> - 0 0 29 -3,-2.0 4,-1.5 1,-0.2 3,-0.5 -0.086 60.8 -28.5 62.1-160.9 3.5 30.5 12.8 36 36 A R H 3> S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.802 134.3 63.0 -61.2 -30.4 4.8 29.2 16.1 37 37 A D H <> S+ 0 0 80 -3,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.937 107.5 43.5 -60.0 -43.4 3.8 32.4 17.9 38 38 A E H S+ 0 0 50 -4,-2.1 5,-1.4 2,-0.2 4,-0.9 0.919 114.1 43.0 -62.0 -42.0 -3.2 30.6 25.8 45 45 A Q H <5S+ 0 0 107 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.940 112.8 52.0 -67.9 -49.1 -6.5 32.0 24.5 46 46 A K H <5S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 122.7 29.6 -54.8 -46.2 -8.3 28.7 24.3 47 47 A Y H <5S- 0 0 63 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.460 97.7-132.2 -96.3 -1.5 -7.4 27.7 27.9 48 48 A Q T <5S+ 0 0 149 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.926 73.7 106.1 48.2 48.4 -7.3 31.2 29.3 49 49 A S < - 0 0 10 -5,-1.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.987 69.7-146.4-157.0 144.6 -4.0 30.2 30.9 50 50 A T S S+ 0 0 27 -2,-0.3 22,-2.5 -3,-0.1 2,-0.4 0.386 94.5 63.0 -90.7 1.4 -0.2 30.8 30.3 51 51 A V E +C 71 0B 0 20,-0.2 2,-0.3 21,-0.1 20,-0.2 -0.996 68.7 136.5-128.1 123.9 0.4 27.3 31.5 52 52 A F E -C 70 0B 0 18,-1.6 18,-3.6 -2,-0.4 2,-0.2 -0.991 50.6 -98.6-162.8 160.7 -1.0 24.3 29.5 53 53 A R E +C 69 0B 44 -41,-3.1 -39,-0.4 -2,-0.3 2,-0.3 -0.599 48.5 153.2 -84.2 146.2 -0.2 20.9 28.1 54 54 A A E -C 68 0B 3 14,-1.9 14,-2.2 -2,-0.2 2,-0.3 -0.978 42.7-109.7-165.9 159.7 0.8 20.5 24.5 55 55 A N E -C 67 0B 3 -2,-0.3 12,-0.2 12,-0.2 -41,-0.0 -0.717 34.7-156.7 -93.0 149.2 2.7 18.4 22.0 56 56 A M > - 0 0 4 10,-1.8 3,-0.5 -2,-0.3 -30,-0.1 -0.894 23.0 -68.9-126.5 155.6 6.0 19.9 20.6 57 57 A P T 3 S+ 0 0 4 0, 0.0 38,-0.5 0, 0.0 152,-0.1 -0.311 99.1 45.6 -67.4 165.9 8.0 19.2 17.4 58 58 A P T 3 S+ 0 0 0 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.997 78.7 177.0 -80.7 -12.4 9.7 17.2 16.0 59 59 A G <> + 0 0 0 -3,-0.5 4,-2.4 1,-0.2 3,-0.4 -0.207 40.3 15.7 80.5-175.1 7.2 14.4 16.9 60 60 A P T 4 S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.439 120.3 14.8 6.3-112.6 7.3 10.7 16.0 61 61 A F T 4 S+ 0 0 126 1,-0.2 165,-0.1 -3,-0.1 164,-0.1 0.851 129.9 44.4 -57.8 -39.1 10.4 9.0 14.7 62 62 A V T 4 S+ 0 0 6 -3,-0.4 2,-0.5 163,-0.3 35,-0.3 0.947 121.4 40.1 -69.8 -44.3 12.9 11.7 15.6 63 63 A S < - 0 0 2 -4,-2.4 -1,-0.2 33,-0.1 33,-0.1 -0.908 60.8-162.5-109.9 129.0 11.4 12.1 19.1 64 64 A S S S+ 0 0 125 -2,-0.5 -1,-0.1 31,-0.3 32,-0.1 0.465 87.2 30.6 -82.1 -3.9 10.1 9.3 21.3 65 65 A N + 0 0 73 30,-0.5 -1,-0.2 -6,-0.1 -6,-0.1 -0.655 53.5 171.5-159.6 100.2 8.1 11.7 23.6 66 66 A P + 0 0 16 0, 0.0 -10,-1.8 0, 0.0 2,-0.4 0.456 45.4 117.7 -85.9 -3.2 6.5 15.0 22.3 67 67 A K E +C 55 0B 83 -12,-0.2 304,-0.4 28,-0.1 2,-0.3 -0.525 34.2 151.8 -76.8 125.3 4.6 15.7 25.5 68 68 A V E -C 54 0B 1 -14,-2.2 -14,-1.9 -2,-0.4 2,-0.5 -0.868 45.0-120.9-141.1 172.6 5.3 18.9 27.5 69 69 A I E -Cd 53 372B 0 302,-2.0 304,-2.7 -2,-0.3 2,-0.3 -0.992 36.1-139.7-116.7 117.7 3.8 21.5 29.9 70 70 A V E -Cd 52 373B 0 -18,-3.6 -18,-1.6 -2,-0.5 2,-0.5 -0.650 14.6-165.7 -85.9 134.4 4.1 24.9 28.3 71 71 A L E +Cd 51 374B 0 302,-2.8 304,-1.5 -2,-0.3 -20,-0.2 -0.977 18.0 161.6-120.3 119.9 5.0 28.0 30.4 72 72 A L + 0 0 3 -22,-2.5 2,-0.2 -2,-0.5 -21,-0.1 0.518 49.1 77.4-116.0 -8.0 4.5 31.4 28.9 73 73 A D S > S- 0 0 2 -23,-0.4 4,-2.1 1,-0.1 306,-0.2 -0.649 78.3-118.3-106.9 164.3 4.4 33.9 31.8 74 74 A A T 4 S+ 0 0 9 -2,-0.2 -1,-0.1 305,-0.2 305,-0.1 0.594 108.7 58.0 -73.1 -13.6 7.2 35.5 34.0 75 75 A K T 4 S+ 0 0 103 2,-0.1 283,-0.2 1,-0.1 -1,-0.2 0.874 116.4 30.4 -84.2 -38.9 5.9 33.9 37.2 76 76 A S T >4 S+ 0 0 4 -3,-0.2 3,-1.9 1,-0.1 4,-0.2 0.866 103.8 75.7 -86.4 -39.4 6.1 30.3 36.1 77 77 A F G >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.3 4,-0.2 0.785 79.2 70.3 -42.0 -48.8 9.1 30.5 33.7 78 78 A P G >> S+ 0 0 46 0, 0.0 3,-2.3 0, 0.0 4,-0.8 0.648 77.4 80.5 -50.0 -19.9 11.9 30.7 36.3 79 79 A I G X4 S+ 0 0 18 -3,-1.9 3,-0.8 1,-0.3 6,-0.2 0.832 81.5 68.4 -57.8 -28.0 11.4 27.1 37.3 80 80 A L G <4 S+ 0 0 1 -3,-2.5 -1,-0.3 1,-0.2 268,-0.1 0.654 98.0 50.0 -66.3 -15.2 13.4 26.3 34.2 81 81 A F G <4 S+ 0 0 35 -3,-2.3 2,-1.3 -4,-0.2 343,-0.3 0.659 86.1 96.3 -94.4 -20.6 16.5 27.8 35.9 82 82 A D XX - 0 0 55 -4,-0.8 4,-2.3 -3,-0.8 3,-1.7 -0.566 48.3-179.1 -76.9 91.7 16.1 25.9 39.2 83 83 A V T 34 S+ 0 0 35 -2,-1.3 -1,-0.2 1,-0.3 5,-0.1 0.551 78.2 67.6 -69.5 -5.6 18.4 22.8 38.8 84 84 A S T 34 S+ 0 0 84 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.710 115.3 27.7 -83.4 -19.8 17.4 21.6 42.2 85 85 A K T <4 S+ 0 0 76 -3,-1.7 267,-2.8 -6,-0.2 268,-0.5 0.657 121.4 51.3-110.9 -27.0 13.9 21.0 40.8 86 86 A V E < -E 351 0B 0 -4,-2.3 2,-0.3 265,-0.2 265,-0.2 -0.946 68.6-138.8-122.4 139.8 14.5 20.3 37.1 87 87 A E E -E 350 0B 54 263,-3.5 263,-2.5 -2,-0.4 -3,-0.1 -0.702 9.1-163.8 -88.3 141.3 16.9 18.0 35.3 88 88 A K + 0 0 15 -2,-0.3 2,-0.5 261,-0.2 3,-0.2 -0.431 36.9 139.5-123.9 55.0 18.7 19.4 32.3 89 89 A K S S- 0 0 86 1,-0.2 23,-0.2 2,-0.1 22,-0.1 -0.895 75.2 -18.8-108.1 127.7 20.0 16.3 30.6 90 90 A D S S+ 0 0 54 21,-3.0 -1,-0.2 -2,-0.5 21,-0.1 0.765 105.2 105.4 52.3 34.2 19.9 15.8 26.8 91 91 A L > + 0 0 5 19,-0.2 3,-1.7 -3,-0.2 257,-0.3 0.157 29.4 114.0-128.5 20.5 17.3 18.5 26.3 92 92 A F T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -4,-0.1 3,-0.1 0.848 94.5 33.4 -57.6 -35.3 19.4 21.4 24.9 93 93 A T T 3 S- 0 0 19 3,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.093 118.7-115.1-109.8 22.6 17.4 20.9 21.7 94 94 A G S < S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.2 254,-0.0 -0.676 78.8 3.1 95.4-138.1 14.1 19.9 23.3 95 95 A T S S+ 0 0 18 -38,-0.5 -30,-0.5 -2,-0.4 2,-0.3 0.262 128.9 37.6 -78.8 11.5 12.2 16.6 23.1 96 96 A Y S S- 0 0 10 -3,-0.2 -3,-0.3 -33,-0.1 -33,-0.1 -0.958 70.9-140.5-152.3 163.5 15.0 15.0 21.0 97 97 A M - 0 0 31 -2,-0.3 3,-0.1 -35,-0.3 -6,-0.0 -0.998 27.5-112.8-132.2 133.0 18.8 15.1 20.9 98 98 A P - 0 0 7 0, 0.0 107,-0.1 0, 0.0 108,-0.1 -0.290 50.6 -84.7 -60.7 151.3 20.8 15.1 17.7 99 99 A S > - 0 0 39 1,-0.2 3,-1.7 106,-0.1 4,-0.1 -0.257 28.3-131.6 -56.5 140.8 22.9 11.9 17.2 100 100 A T G > >S+ 0 0 49 1,-0.3 5,-3.0 2,-0.2 3,-1.3 0.604 103.1 78.4 -70.8 -9.1 26.3 12.0 18.9 101 101 A K G > 5S+ 0 0 164 1,-0.3 3,-0.5 3,-0.2 -1,-0.3 0.701 88.7 58.3 -70.2 -15.3 27.7 10.8 15.6 102 102 A L G < 5S+ 0 0 8 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.562 107.9 46.3 -87.4 -9.7 27.4 14.5 14.7 103 103 A T G X 5S- 0 0 4 -3,-1.3 3,-1.8 -4,-0.1 -1,-0.2 -0.283 127.8 -84.6-129.0 47.8 29.6 15.5 17.7 104 104 A G T < 5S- 0 0 31 -3,-0.5 -3,-0.2 1,-0.3 3,-0.1 0.570 82.2 -65.0 64.7 11.2 32.5 13.1 17.4 105 105 A G T 3 - 0 0 0 -2,-0.9 3,-2.2 1,-0.1 4,-0.3 -0.252 22.8 -91.6 -74.3 163.8 29.0 17.5 24.6 109 109 A L G > S+ 0 0 16 1,-0.3 3,-2.2 2,-0.2 14,-0.1 0.773 117.4 64.4 -40.7 -47.9 28.6 20.0 27.4 110 110 A S G 3 S+ 0 0 19 1,-0.3 -1,-0.3 -21,-0.0 -19,-0.2 0.742 104.9 47.6 -55.7 -23.5 25.4 21.6 26.4 111 111 A Y G < S+ 0 0 3 -3,-2.2 -21,-3.0 -21,-0.1 2,-0.3 0.425 92.6 103.2 -97.1 -0.4 23.5 18.3 26.8 112 112 A L < - 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