==== 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 LYASE, BIOSYNTHETIC PROTEIN 17-NOV-04 1Y13 . COMPND 2 MOLECULE: 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.BOSCH,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA . 489 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 33.3 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 . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 . 45 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 3 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 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 3 0 2 4 3 3 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 11 A N 0 0 104 0, 0.0 323,-0.4 0, 0.0 326,-0.0 0.000 360.0 360.0 360.0 149.0 94.7 23.8 3.8 2 12 A S + 0 0 80 321,-0.1 43,-0.5 2,-0.1 41,-0.1 0.600 360.0 104.7-106.4 -16.2 92.6 26.8 5.2 3 13 A S E -A 44 0A 14 41,-0.1 321,-0.5 39,-0.1 2,-0.3 -0.374 49.8-168.7 -61.6 148.6 89.4 25.4 6.7 4 14 A A E -AB 43 323A 1 39,-1.8 39,-2.8 319,-0.1 2,-0.3 -0.953 9.6-141.3-138.7 153.0 89.3 25.5 10.5 5 15 A E E -AB 42 322A 20 317,-2.8 317,-2.7 -2,-0.3 2,-0.4 -0.885 7.4-165.8-117.0 149.1 87.1 24.0 13.2 6 16 A V E -AB 41 321A 0 35,-1.9 35,-2.5 -2,-0.3 2,-0.3 -0.982 12.6-177.2-124.7 145.2 85.8 25.2 16.5 7 17 A S E -AB 40 320A 17 313,-2.3 313,-2.6 -2,-0.4 2,-0.4 -0.992 12.8-160.1-140.5 150.6 84.1 23.0 19.2 8 18 A V E +AB 39 319A 0 31,-2.2 31,-1.9 -2,-0.3 2,-0.3 -0.973 15.7 167.3-127.7 141.2 82.5 23.5 22.5 9 19 A E E +A 38 0A 65 309,-2.0 29,-0.2 -2,-0.4 -2,-0.0 -0.977 4.7 156.9-151.0 140.7 82.0 20.8 25.2 10 20 A S E > - 0 0 18 27,-0.5 3,-2.0 -2,-0.3 27,-0.3 -0.919 52.1-119.6-163.2 145.9 81.0 21.0 28.8 11 21 A P E 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.686 115.9 65.5 -45.2 -25.0 79.4 18.9 31.7 12 22 A S E 3 S+ 0 0 70 1,-0.2 2,-2.1 24,-0.0 24,-0.0 0.718 78.8 79.2 -79.2 -24.1 76.9 21.8 31.5 13 23 A F E < S+ 0 0 0 -3,-2.0 24,-2.9 24,-0.1 2,-0.3 -0.446 80.5 123.5 -79.7 66.5 75.7 20.8 28.0 14 24 A S E -A 36 0A 25 -2,-2.1 2,-0.4 22,-0.2 22,-0.2 -0.885 49.0-164.1-130.8 153.5 73.6 18.1 29.6 15 25 A F E -A 35 0A 0 20,-2.0 20,-2.9 -2,-0.3 2,-0.8 -0.982 15.7-149.5-134.2 130.0 70.1 16.8 29.9 16 26 A N E +A 34 0A 63 -2,-0.4 54,-1.5 18,-0.2 55,-0.4 -0.868 34.6 162.0-102.5 107.8 69.2 14.2 32.6 17 27 A C E -A 33 0A 8 16,-1.8 16,-2.3 -2,-0.8 2,-0.3 -0.869 37.4-131.2-130.2 154.4 66.4 12.0 31.3 18 28 A A E +Ac 32 72A 33 53,-2.1 55,-2.8 -2,-0.3 2,-0.3 -0.718 41.1 140.8 -94.4 154.4 64.6 8.7 31.8 19 29 A H E -A 31 0A 1 12,-2.2 12,-1.9 -2,-0.3 2,-0.3 -0.973 33.4-145.8-170.3 170.6 64.0 6.3 28.9 20 30 A F - 0 0 5 53,-0.3 95,-0.4 -2,-0.3 2,-0.3 -0.950 22.5-124.0-147.6 143.7 63.9 2.7 27.7 21 31 A I + 0 0 6 -2,-0.3 7,-1.9 8,-0.2 2,-0.3 -0.657 30.0 175.7 -80.5 136.0 64.9 1.2 24.4 22 32 A A E +S 27 0B 7 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.963 10.4 147.1-141.3 125.8 62.3 -0.9 22.6 23 33 A Y E > -S 26 0B 44 3,-2.2 3,-2.4 -2,-0.3 353,-0.1 -0.813 61.7 -38.9-140.5-176.3 62.6 -2.5 19.1 24 34 A N T 3 S- 0 0 107 351,-0.3 3,-0.1 1,-0.3 56,-0.0 -0.258 128.6 -6.9 -57.2 119.8 61.3 -5.7 17.5 25 35 A G T 3 S+ 0 0 76 1,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.568 120.4 89.8 74.4 10.3 61.4 -8.5 20.0 26 36 A F E < +S 23 0B 73 -3,-2.4 -3,-2.2 2,-0.0 2,-0.3 -0.986 38.7 162.4-144.9 133.7 63.3 -6.4 22.7 27 37 A R E -S 22 0B 77 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.984 17.3-160.1-144.0 130.2 62.3 -4.2 25.6 28 38 A E - 0 0 48 -7,-1.9 3,-0.1 -2,-0.3 2,-0.0 -0.734 30.2 -91.3-108.1 165.9 64.5 -3.1 28.5 29 39 A T - 0 0 101 -2,-0.2 -8,-0.2 1,-0.1 -10,-0.1 -0.330 51.2 -86.1 -71.3 150.3 63.5 -1.7 31.9 30 40 A L + 0 0 77 -10,-0.1 2,-0.2 -12,-0.1 -10,-0.2 -0.312 66.0 139.0 -49.0 132.3 63.1 2.0 32.6 31 41 A H E -A 19 0A 65 -12,-1.9 -12,-2.2 -3,-0.1 2,-0.3 -0.813 33.0-130.4-155.6-160.6 66.3 3.7 33.6 32 42 A G E -A 18 0A 39 -14,-0.3 2,-0.3 -2,-0.2 -14,-0.2 -0.964 8.5-154.1-158.6 173.3 68.1 7.0 32.9 33 43 A H E -A 17 0A 34 -16,-2.3 -16,-1.8 -2,-0.3 2,-0.8 -0.985 27.7-123.0-149.7 151.6 71.2 8.9 31.8 34 44 A N E -A 16 0A 110 117,-0.4 2,-0.3 -2,-0.3 -18,-0.2 -0.923 42.1-158.7 -85.6 103.5 73.1 12.2 32.1 35 45 A Y E -A 15 0A 0 -20,-2.9 -20,-2.0 -2,-0.8 2,-0.4 -0.734 5.7-160.9 -88.6 142.2 73.3 12.9 28.3 36 46 A N E -AD 14 150A 40 114,-2.0 114,-2.6 -2,-0.3 2,-0.4 -0.982 2.2-155.2-128.8 136.1 76.0 15.2 27.3 37 47 A V E - D 0 149A 0 -24,-2.9 -27,-0.5 -2,-0.4 2,-0.4 -0.915 9.1-176.8-116.2 130.0 76.3 17.2 24.0 38 48 A S E -AD 9 148A 33 110,-2.2 110,-2.4 -2,-0.4 2,-0.4 -0.981 12.3-156.0-120.9 141.8 79.4 18.6 22.2 39 49 A L E -AD 8 147A 0 -31,-1.9 -31,-2.2 -2,-0.4 2,-0.4 -0.955 11.0-179.4-121.7 132.8 79.2 20.6 19.1 40 50 A K E -AD 7 146A 46 106,-2.8 106,-2.7 -2,-0.4 2,-0.4 -0.992 3.7-171.3-131.5 136.8 81.8 21.2 16.4 41 51 A V E -AD 6 145A 0 -35,-2.5 -35,-1.9 -2,-0.4 2,-0.5 -0.981 12.5-146.7-127.2 142.2 81.6 23.3 13.2 42 52 A R E +AD 5 144A 54 102,-2.5 101,-2.0 -2,-0.4 102,-1.1 -0.937 43.7 115.8-111.0 127.6 83.9 23.5 10.2 43 53 A G E -A 4 0A 0 -39,-2.8 -39,-1.8 -2,-0.5 2,-0.3 -0.472 58.1 -74.9-152.0-138.0 84.3 26.9 8.5 44 54 A Y E -A 3 0A 84 96,-0.5 2,-0.5 7,-0.3 -41,-0.1 -0.963 44.6 -94.7-140.7 151.2 87.0 29.5 7.8 45 55 A V - 0 0 33 -43,-0.5 6,-0.2 -2,-0.3 2,-0.1 -0.605 52.4-155.9 -66.3 118.0 88.7 32.2 9.9 46 56 A R > - 0 0 68 4,-2.6 3,-2.1 -2,-0.5 6,-0.1 -0.293 33.4 -85.9 -90.2-178.7 86.5 35.2 9.0 47 57 A D T 3 S+ 0 0 131 1,-0.3 141,-0.2 2,-0.1 -2,-0.1 0.570 127.2 58.8 -66.4 -11.4 87.4 39.0 9.2 48 58 A D T 3 S- 0 0 17 2,-0.3 -1,-0.3 139,-0.1 3,-0.1 0.484 120.9-108.2 -90.1 -4.9 86.4 39.1 12.8 49 59 A G S < S+ 0 0 0 -3,-2.1 234,-0.4 1,-0.3 233,-0.3 0.398 84.4 101.7 95.4 0.9 89.0 36.4 13.6 50 60 A Y - 0 0 18 1,-0.2 -4,-2.6 232,-0.1 -1,-0.3 -0.810 67.3-146.9-114.9 152.7 86.6 33.6 14.2 51 61 A V S S- 0 0 0 1,-0.5 -7,-0.3 -2,-0.3 2,-0.3 0.933 99.8 -35.4 -66.4 -54.1 85.2 30.5 12.5 52 62 A I S S- 0 0 1 -3,-0.1 -1,-0.5 -9,-0.1 -11,-0.1 -0.910 82.6 -81.7-159.3 150.0 82.1 31.6 14.6 53 63 A D >> - 0 0 40 -2,-0.3 4,-1.3 -3,-0.2 3,-0.8 -0.347 31.1-138.4 -56.4 128.1 81.9 33.1 18.1 54 64 A F H 3> S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 102.2 62.9 -54.5 -39.5 82.2 30.4 20.8 55 65 A S H 3> S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.812 98.7 53.5 -60.3 -33.1 79.4 32.2 22.7 56 66 A I H <> S+ 0 0 53 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.931 110.5 46.5 -64.2 -46.2 76.9 31.6 19.9 57 67 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.922 114.1 48.0 -64.1 -41.7 77.6 27.8 19.9 58 68 A K H X S+ 0 0 28 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.922 110.8 50.2 -64.7 -44.4 77.3 27.6 23.7 59 69 A E H X S+ 0 0 95 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.890 113.3 46.4 -62.6 -40.4 74.1 29.6 23.9 60 70 A K H X S+ 0 0 44 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.886 112.5 48.2 -73.4 -39.6 72.5 27.3 21.2 61 71 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.916 111.3 51.7 -63.6 -42.8 73.6 24.0 22.7 62 72 A K H X S+ 0 0 73 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.900 108.1 52.3 -62.2 -39.7 72.4 25.1 26.2 63 73 A K H X S+ 0 0 101 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.922 111.3 44.4 -62.8 -46.9 69.0 26.0 24.8 64 74 A V H X S+ 0 0 8 -4,-1.8 4,-1.1 1,-0.2 3,-0.3 0.922 114.9 49.3 -68.1 -40.2 68.4 22.7 23.1 65 75 A C H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.885 105.9 57.4 -62.1 -44.8 69.6 20.7 26.2 66 76 A N H < S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.833 102.4 55.0 -55.5 -35.5 67.4 22.8 28.5 67 77 A K H < S+ 0 0 75 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.847 114.9 38.9 -69.2 -34.9 64.3 21.7 26.6 68 78 A L H < S+ 0 0 1 -4,-1.1 3,-0.4 -3,-0.4 -2,-0.2 0.822 89.8 112.5 -81.5 -34.7 65.1 18.0 27.0 69 79 A D S < S+ 0 0 47 -4,-2.2 -52,-0.1 1,-0.2 -54,-0.1 -0.041 78.3 13.3 -52.5 137.0 66.4 18.1 30.6 70 80 A H S S+ 0 0 138 -54,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.872 100.0 105.3 68.9 46.8 64.3 16.3 33.3 71 81 A H S S- 0 0 51 -3,-0.4 -53,-2.1 -55,-0.4 2,-0.5 -0.930 73.9-106.1-140.3 165.5 61.9 14.3 31.3 72 82 A F E -ce 18 107A 10 34,-2.7 36,-2.6 -2,-0.3 2,-0.7 -0.867 42.5-127.5 -86.4 126.1 61.0 10.8 30.2 73 83 A I E - 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