==== 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 16-JUN-05 2A0S . COMPND 2 MOLECULE: 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR J.BOSCH,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 30.1 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 . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 43 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 0 4 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 18 A D 0 0 120 0, 0.0 2,-0.5 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 139.3 19.0 -2.0 16.4 2 19 A Q - 0 0 150 43,-0.3 43,-2.1 44,-0.0 2,-0.4 -0.805 360.0-137.9 -96.8 124.9 17.1 -0.5 13.5 3 20 A I E +A 44 0A 133 -2,-0.5 2,-0.4 41,-0.2 41,-0.2 -0.658 25.3 179.9 -83.2 131.2 13.6 -1.9 12.6 4 21 A A E -A 43 0A 25 39,-3.0 39,-1.7 -2,-0.4 2,-0.5 -0.990 20.7-142.2-133.5 142.8 12.8 -2.3 8.9 5 22 A E E -A 42 0A 98 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.912 17.1-156.0-105.7 126.2 9.7 -3.6 7.1 6 23 A L E -A 41 0A 24 35,-2.7 35,-2.3 -2,-0.5 2,-0.4 -0.854 7.0-168.5-106.0 134.6 10.2 -5.7 4.0 7 24 A L E -A 40 0A 60 -2,-0.4 2,-0.5 33,-0.2 33,-0.2 -0.984 6.1-173.7-124.4 128.6 7.6 -6.1 1.2 8 25 A V E +A 39 0A 5 31,-2.4 31,-2.0 -2,-0.4 2,-0.4 -0.965 17.3 161.0-121.6 113.7 7.7 -8.7 -1.6 9 26 A E E +A 38 0A 132 -2,-0.5 29,-0.1 29,-0.2 -2,-0.0 -0.996 3.1 149.1-137.8 130.5 5.0 -8.3 -4.3 10 27 A S E > - 0 0 31 27,-0.5 3,-1.2 -2,-0.4 27,-0.3 -0.988 54.1-123.3-157.2 146.0 4.9 -9.6 -7.9 11 28 A P E 3 S+ 0 0 92 0, 0.0 307,-0.1 0, 0.0 3,-0.1 0.628 112.8 69.7 -60.2 -14.1 2.5 -10.9 -10.6 12 29 A L E 3 S+ 0 0 86 1,-0.2 2,-2.2 24,-0.0 -3,-0.0 0.797 79.5 74.7 -73.4 -32.4 4.7 -14.0 -10.3 13 30 A F E < S+ 0 0 0 -3,-1.2 24,-2.8 24,-0.1 2,-0.3 -0.468 82.0 125.8 -79.9 69.1 3.3 -14.8 -6.8 14 31 A S E -A 36 0A 26 -2,-2.2 2,-0.4 22,-0.2 22,-0.2 -0.909 48.1-164.3-132.3 151.1 0.1 -16.0 -8.3 15 32 A F E -A 35 0A 0 20,-1.5 20,-1.9 -2,-0.3 2,-0.8 -0.930 14.3-152.7-135.3 115.5 -2.3 -18.9 -8.4 16 33 A N E +A 34 0A 24 -2,-0.4 54,-1.7 18,-0.2 55,-0.4 -0.777 36.6 162.5 -87.8 108.5 -4.9 -19.1 -11.2 17 34 A C E -A 33 0A 0 16,-2.0 16,-2.3 -2,-0.8 2,-0.3 -0.862 39.5-129.1-133.8 156.6 -7.8 -21.1 -9.7 18 35 A A E +Ab 32 72A 0 53,-2.0 55,-3.2 176,-0.3 2,-0.3 -0.786 42.3 138.4 -98.5 150.0 -11.4 -22.1 -9.9 19 36 A H E -A 31 0A 0 12,-2.5 12,-2.1 -2,-0.3 2,-0.3 -0.974 33.3-146.9-168.8 171.6 -13.7 -21.8 -6.9 20 37 A F - 0 0 4 53,-0.4 95,-0.4 -2,-0.3 2,-0.3 -0.932 23.4-121.6-150.9 142.8 -17.2 -20.9 -5.6 21 38 A I + 0 0 24 -2,-0.3 7,-1.9 8,-0.2 2,-0.4 -0.640 32.6 175.5 -78.5 133.2 -18.3 -19.5 -2.2 22 39 A A E +F 27 0B 6 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.967 11.2 141.0-140.3 124.9 -20.8 -21.5 -0.3 23 40 A F E > -F 26 0B 93 3,-2.2 3,-2.0 -2,-0.4 2,-0.3 -0.832 61.5 -41.0-142.1-173.5 -22.2 -20.8 3.2 24 41 A K T 3 S- 0 0 157 1,-0.3 3,-0.1 -2,-0.2 56,-0.0 -0.346 127.2 -5.2 -58.9 113.8 -25.6 -21.1 5.1 25 42 A G T 3 S+ 0 0 79 -2,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.437 121.3 85.0 84.4 1.8 -28.3 -19.9 2.7 26 43 A F E < +F 23 0B 91 -3,-2.0 -3,-2.2 2,-0.0 2,-0.3 -0.996 41.1 163.6-142.3 135.0 -26.0 -18.8 -0.1 27 44 A R E -F 22 0B 39 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.974 15.8-158.6-146.7 133.5 -24.2 -20.4 -3.0 28 45 A E - 0 0 34 -7,-1.9 3,-0.1 -2,-0.3 242,-0.1 -0.703 29.6 -94.5-107.1 163.5 -22.6 -18.8 -6.1 29 46 A T - 0 0 15 -2,-0.2 -8,-0.2 1,-0.1 2,-0.1 -0.327 50.8 -84.9 -73.4 156.1 -21.8 -20.3 -9.5 30 47 A L + 0 0 0 -10,-0.1 152,-0.3 -12,-0.1 2,-0.2 -0.402 67.1 137.3 -61.3 129.8 -18.5 -21.8 -10.4 31 48 A H E -A 19 0A 1 -12,-2.1 -12,-2.5 150,-0.2 2,-0.3 -0.773 34.4-129.1-151.3-162.1 -15.9 -19.2 -11.6 32 49 A G E -A 18 0A 0 165,-0.3 2,-0.3 -14,-0.3 -14,-0.2 -0.953 8.4-154.4-155.6 172.3 -12.2 -18.4 -11.1 33 50 A H E -A 17 0A 3 -16,-2.3 -16,-2.0 -2,-0.3 2,-1.0 -0.985 28.8-120.6-148.1 153.9 -9.6 -15.7 -10.3 34 51 A N E -A 16 0A 14 117,-0.4 -18,-0.2 -2,-0.3 2,-0.2 -0.859 44.7-159.2 -89.6 93.1 -6.0 -14.7 -10.8 35 52 A Y E -A 15 0A 0 -20,-1.9 -20,-1.5 -2,-1.0 2,-0.4 -0.496 6.6-162.3 -74.7 146.7 -5.1 -14.8 -7.1 36 53 A N E -AC 14 150A 41 114,-1.6 114,-2.5 -22,-0.2 2,-0.4 -0.998 4.0-156.6-136.2 137.4 -2.0 -12.8 -6.0 37 54 A V E - C 0 149A 0 -24,-2.8 -27,-0.5 -2,-0.4 2,-0.4 -0.942 8.0-176.8-118.1 129.1 0.1 -13.0 -2.8 38 55 A S E -AC 9 148A 14 110,-2.5 110,-2.8 -2,-0.4 2,-0.4 -0.969 14.3-148.2-119.6 143.8 2.3 -10.3 -1.2 39 56 A L E -AC 8 147A 0 -31,-2.0 -31,-2.4 -2,-0.4 2,-0.4 -0.930 9.6-169.6-116.5 131.6 4.4 -10.9 1.9 40 57 A R E -AC 7 146A 69 106,-3.5 106,-2.3 -2,-0.4 2,-0.3 -0.974 8.2-179.4-120.1 135.0 5.3 -8.3 4.6 41 58 A L E -AC 6 145A 0 -35,-2.3 -35,-2.7 -2,-0.4 2,-0.4 -0.971 13.3-155.8-132.6 146.3 7.8 -8.8 7.3 42 59 A R E +AC 5 144A 100 102,-1.7 101,-2.0 -2,-0.3 102,-1.0 -0.980 35.7 115.2-123.0 136.6 9.1 -6.8 10.3 43 60 A G E -A 4 0A 2 -39,-1.7 -39,-3.0 -2,-0.4 2,-0.3 -0.964 59.5 -67.7-173.0-176.7 12.5 -7.2 11.9 44 61 A N E -A 3 0A 51 97,-0.4 2,-0.5 -2,-0.3 -41,-0.2 -0.696 49.6-106.6 -91.7 145.0 15.9 -5.7 12.7 45 62 A I - 0 0 79 -43,-2.1 -43,-0.3 -2,-0.3 6,-0.3 -0.592 43.3-140.9 -69.2 120.5 18.6 -5.1 10.0 46 63 A Q > - 0 0 58 4,-2.7 3,-2.1 -2,-0.5 -1,-0.1 -0.191 27.3 -91.9 -80.5 174.2 21.2 -7.8 10.5 47 64 A G T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.577 123.9 60.7 -63.7 -12.0 25.0 -7.5 10.3 48 65 A D T 3 S- 0 0 91 2,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.404 119.9-106.6 -94.0 -0.6 24.9 -8.5 6.6 49 66 A G S < S+ 0 0 51 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.214 89.1 99.1 95.4 -13.8 22.7 -5.5 5.7 50 67 A Y - 0 0 118 1,-0.2 -4,-2.7 -5,-0.1 -2,-0.3 -0.757 60.1-156.3-102.9 149.7 19.5 -7.5 5.3 51 68 A V S S- 0 0 4 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.872 96.2 -25.1 -73.2 -51.0 16.5 -8.1 7.6 52 69 A I S S- 0 0 2 -3,-0.1 -1,-0.4 -9,-0.1 2,-0.1 -0.936 83.1 -91.4-159.2 142.1 16.2 -11.3 5.5 53 70 A D >> - 0 0 51 -2,-0.3 4,-1.5 -3,-0.2 3,-0.6 -0.357 25.6-143.6 -61.6 127.5 17.3 -12.0 1.9 54 71 A F H 3> S+ 0 0 99 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.838 98.1 62.9 -58.0 -37.3 14.6 -11.1 -0.7 55 72 A S H 3> S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.840 103.0 48.5 -59.9 -37.7 15.6 -14.1 -2.9 56 73 A I H <> S+ 0 0 51 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.921 113.3 47.4 -66.9 -45.4 14.6 -16.5 -0.1 57 74 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.903 112.4 49.5 -61.6 -43.9 11.2 -14.8 0.4 58 75 A K H X S+ 0 0 105 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.837 110.6 51.5 -63.2 -35.8 10.6 -14.8 -3.4 59 76 A E H X S+ 0 0 127 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.896 111.3 44.1 -70.3 -43.3 11.4 -18.5 -3.6 60 77 A K H X S+ 0 0 49 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.837 111.3 52.3 -75.3 -35.8 9.1 -19.7 -0.8 61 78 A V H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.885 109.1 52.0 -66.5 -38.9 6.1 -17.6 -1.9 62 79 A R H X S+ 0 0 137 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.879 108.5 51.5 -61.8 -40.1 6.5 -19.0 -5.4 63 80 A K H X S+ 0 0 110 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.882 110.6 46.4 -66.3 -42.5 6.4 -22.6 -4.0 64 81 A V H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 3,-0.2 0.913 114.0 48.6 -67.0 -44.0 3.2 -22.1 -1.9 65 82 A C H >X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 3,-0.6 0.871 106.0 58.3 -61.7 -40.1 1.5 -20.4 -4.9 66 83 A K H 3< S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 99.9 57.0 -60.6 -37.7 2.5 -23.2 -7.2 67 84 A Q H 3< S+ 0 0 78 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.814 116.1 36.2 -63.6 -32.8 0.8 -25.9 -5.1 68 85 A L H << S+ 0 0 1 -4,-0.9 3,-0.5 -3,-0.6 -2,-0.2 0.840 94.4 110.0 -85.9 -38.5 -2.5 -24.0 -5.5 69 86 A D S < S+ 0 0 29 -4,-2.7 -52,-0.1 1,-0.2 3,-0.1 0.021 80.6 12.0 -48.3 139.2 -2.0 -22.9 -9.1 70 87 A H S S+ 0 0 50 -54,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.846 105.0 103.9 62.4 41.9 -4.2 -24.4 -11.9 71 88 A H S S- 0 0 43 -3,-0.5 -53,-2.0 -55,-0.4 2,-0.5 -0.938 76.4-104.8-140.9 162.2 -6.7 -26.2 -9.6 72 89 A F E -bd 18 107A 2 34,-2.8 36,-2.4 -2,-0.3 2,-0.8 -0.834 41.7-126.2 -82.3 126.8 -10.2 -25.9 -8.3 73 90 A I E - 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