==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 24-FEB-10 3LX3 . COMPND 2 MOLECULE: 6-PYRUVOYL TETRAHYDROBIOPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR E.T.LARSON,E.A.MERRITT,MEDICAL STRUCTURAL GENOMICS OF . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 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 . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 0 1 0 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 10 A D 0 0 171 0, 0.0 2,-0.5 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 141.2 18.9 2.0 7.7 2 11 A Q - 0 0 144 43,-0.3 43,-2.9 2,-0.0 2,-0.3 -0.938 360.0-145.2-118.8 120.2 17.1 0.7 10.7 3 12 A I E -A 44 0A 128 -2,-0.5 2,-0.3 41,-0.3 41,-0.3 -0.590 19.1-179.0 -79.6 139.0 13.7 2.2 11.8 4 13 A A E -A 43 0A 29 39,-2.8 39,-1.9 -2,-0.3 2,-0.5 -0.991 19.5-143.0-134.6 151.3 12.8 2.6 15.4 5 14 A E E -A 42 0A 88 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.956 17.6-156.9-109.7 124.9 9.6 3.8 17.1 6 15 A L E -A 41 0A 25 35,-2.1 35,-2.3 -2,-0.5 2,-0.4 -0.823 6.7-168.3-103.9 143.3 10.1 5.8 20.3 7 16 A L E -A 40 0A 58 -2,-0.4 2,-0.5 33,-0.2 33,-0.2 -0.998 5.0-172.8-129.4 127.3 7.5 6.2 23.0 8 17 A V E +A 39 0A 6 31,-2.8 31,-2.2 -2,-0.4 2,-0.3 -0.990 18.0 157.9-120.7 129.4 7.6 8.6 25.9 9 18 A E E +A 38 0A 117 -2,-0.5 29,-0.1 29,-0.2 -2,-0.0 -0.987 3.0 153.8-151.7 136.9 4.9 8.4 28.5 10 19 A S E > - 0 0 32 27,-0.5 3,-1.9 -2,-0.3 27,-0.3 -0.976 54.0-120.1-163.6 142.1 4.7 9.5 32.1 11 20 A P E 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.727 114.6 68.5 -57.9 -16.6 2.2 10.5 34.8 12 21 A L E 3 S+ 0 0 113 1,-0.2 2,-1.9 24,-0.0 24,-0.0 0.675 77.8 76.7 -66.7 -27.5 4.3 13.7 34.6 13 22 A F E < S+ 0 0 3 -3,-1.9 24,-2.5 24,-0.2 2,-0.3 -0.545 80.3 130.5 -87.9 66.3 3.1 14.6 31.1 14 23 A S E -A 36 0A 33 -2,-1.9 2,-0.4 22,-0.2 22,-0.2 -0.889 47.0-166.0-125.6 149.9 -0.1 15.7 32.8 15 24 A F E -A 35 0A 0 20,-1.9 20,-2.3 -2,-0.3 2,-0.8 -0.953 13.9-153.6-136.8 116.5 -2.4 18.8 32.7 16 25 A N E +A 34 0A 55 -2,-0.4 54,-2.1 18,-0.2 55,-0.5 -0.834 36.0 158.6 -96.3 107.0 -4.9 18.9 35.5 17 26 A C E -A 33 0A 9 16,-2.1 16,-2.2 -2,-0.8 2,-0.3 -0.903 41.6-126.5-135.6 155.7 -7.7 21.0 34.1 18 27 A A E +Ab 32 72A 31 53,-1.9 55,-2.9 -2,-0.3 2,-0.3 -0.746 42.0 142.7 -97.3 151.1 -11.4 21.9 34.3 19 28 A H E -A 31 0A 0 12,-2.0 12,-2.1 -2,-0.3 2,-0.3 -0.975 31.8-149.0-163.0 174.4 -13.7 21.7 31.2 20 29 A F - 0 0 4 53,-0.3 95,-0.4 -2,-0.3 2,-0.3 -0.901 21.9-125.1-154.4 142.5 -17.1 20.8 29.9 21 30 A I + 0 0 24 -2,-0.3 7,-1.6 8,-0.2 2,-0.3 -0.597 30.9 174.5 -76.9 134.1 -18.2 19.4 26.6 22 31 A A E +F 27 0B 6 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.972 9.6 146.2-140.0 132.6 -20.9 21.3 24.7 23 32 A F E > -F 26 0B 97 3,-2.4 3,-2.3 -2,-0.3 2,-0.2 -0.849 62.1 -45.6-146.8-177.8 -22.2 20.6 21.2 24 33 A K T 3 S+ 0 0 132 1,-0.3 3,-0.1 -2,-0.2 56,-0.0 -0.370 129.3 0.1 -62.3 121.1 -25.6 21.0 19.4 25 34 A G T 3 S+ 0 0 76 -2,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.470 120.6 83.1 81.6 4.6 -28.2 19.7 21.8 26 35 A F E < +F 23 0B 86 -3,-2.3 -3,-2.4 2,-0.0 2,-0.3 -0.987 39.1 162.4-146.9 133.1 -25.8 18.7 24.6 27 36 A R E -F 22 0B 73 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.975 18.6-160.0-139.5 139.8 -24.1 20.5 27.5 28 37 A E - 0 0 51 -7,-1.6 2,-0.1 -2,-0.3 3,-0.1 -0.836 28.5 -89.5-116.1 169.5 -22.6 18.8 30.5 29 38 A T - 0 0 99 -2,-0.3 -8,-0.2 1,-0.1 2,-0.1 -0.352 50.3 -88.8 -72.6 152.1 -21.7 20.1 33.9 30 39 A L + 0 0 77 -10,-0.1 2,-0.2 -2,-0.1 -10,-0.2 -0.366 66.4 134.2 -57.5 131.5 -18.4 21.6 34.8 31 40 A H E -A 19 0A 60 -12,-2.1 -12,-2.0 -2,-0.1 2,-0.3 -0.747 34.2-134.2-156.6-160.9 -15.8 19.1 36.0 32 41 A G E -A 18 0A 37 -14,-0.3 2,-0.3 -2,-0.2 -14,-0.2 -0.966 6.8-153.8-162.8 178.3 -12.2 18.2 35.4 33 42 A H E -A 17 0A 38 -16,-2.2 -16,-2.1 -2,-0.3 2,-1.1 -0.980 31.5-116.1-152.8 154.5 -9.5 15.6 34.8 34 43 A N E -A 16 0A 118 117,-0.4 -18,-0.2 -2,-0.3 2,-0.2 -0.845 47.1-157.4 -89.9 89.9 -5.9 14.8 35.2 35 44 A Y E -A 15 0A 0 -20,-2.3 -20,-1.9 -2,-1.1 2,-0.4 -0.496 6.2-158.7 -70.2 145.3 -5.2 14.7 31.5 36 45 A N E -AC 14 150A 42 114,-1.9 114,-2.3 -22,-0.2 2,-0.4 -0.970 4.2-160.5-129.0 144.2 -2.2 12.6 30.3 37 46 A V E - C 0 149A 0 -24,-2.5 -27,-0.5 -2,-0.4 2,-0.3 -0.980 6.1-175.2-125.0 133.4 -0.2 12.9 27.1 38 47 A S E -AC 9 148A 9 110,-2.4 110,-2.2 -2,-0.4 2,-0.4 -0.941 11.8-149.9-120.7 154.1 2.1 10.4 25.4 39 48 A L E -AC 8 147A 1 -31,-2.2 -31,-2.8 -2,-0.3 2,-0.4 -0.982 12.1-178.0-125.1 131.5 4.2 10.9 22.3 40 49 A R E +AC 7 146A 64 106,-2.9 106,-2.4 -2,-0.4 2,-0.3 -0.963 9.6 169.2-122.2 142.9 5.2 8.3 19.8 41 50 A L E -AC 6 145A 1 -35,-2.3 -35,-2.1 -2,-0.4 2,-0.4 -0.961 19.6-144.7-148.0 164.4 7.4 8.9 16.8 42 51 A R E +AC 5 144A 87 102,-1.6 101,-2.5 -2,-0.3 102,-0.9 -0.990 32.6 127.1-131.9 142.2 9.3 6.9 14.1 43 52 A G E -A 4 0A 3 -39,-1.9 -39,-2.8 -2,-0.4 2,-0.3 -0.943 57.3 -71.0-167.7-175.8 12.6 7.5 12.3 44 53 A N E -A 3 0A 45 -2,-0.3 2,-0.3 -41,-0.3 -41,-0.3 -0.691 51.3-104.6 -86.5 146.4 15.9 5.9 11.5 45 54 A I - 0 0 74 -43,-2.9 -43,-0.3 -2,-0.3 6,-0.3 -0.558 44.9-140.1 -67.1 125.4 18.4 5.2 14.2 46 55 A Q > - 0 0 58 4,-2.6 3,-2.0 -2,-0.3 -1,-0.1 -0.281 26.4 -92.4 -85.1 174.0 21.1 7.9 13.6 47 56 A G T 3 S+ 0 0 92 1,-0.3 4,-0.1 2,-0.1 -1,-0.1 0.679 123.4 61.5 -61.4 -21.8 24.9 7.5 13.9 48 57 A D T 3 S- 0 0 97 2,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.532 120.8-105.0 -83.5 -2.5 24.8 8.7 17.5 49 58 A G S < S+ 0 0 51 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.338 88.9 93.1 96.8 -4.7 22.6 5.7 18.5 50 59 A Y - 0 0 122 1,-0.2 -4,-2.6 -6,-0.1 -1,-0.3 -0.867 65.1-147.2-114.5 150.8 19.3 7.5 18.8 51 60 A V S S- 0 0 3 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.947 96.8 -28.7 -65.8 -56.1 16.4 8.3 16.6 52 61 A I S S- 0 0 1 -3,-0.1 -1,-0.4 -9,-0.1 2,-0.3 -0.952 85.5 -85.6-157.5 142.9 16.2 11.5 18.6 53 62 A D >> - 0 0 52 -2,-0.3 4,-1.5 -3,-0.2 3,-1.0 -0.390 28.2-143.3 -59.2 120.8 17.2 12.1 22.2 54 63 A F H 3> S+ 0 0 100 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.825 98.4 64.7 -49.2 -36.4 14.4 11.1 24.7 55 64 A S H 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 101.0 48.8 -63.6 -34.3 15.4 14.0 26.9 56 65 A I H <> S+ 0 0 48 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.926 111.8 49.9 -66.5 -45.5 14.4 16.6 24.2 57 66 A L H X S+ 0 0 1 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.936 112.6 46.5 -58.6 -46.5 11.1 14.8 23.7 58 67 A K H X S+ 0 0 98 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.898 110.7 52.2 -64.3 -43.0 10.4 14.8 27.4 59 68 A E H X S+ 0 0 93 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.931 113.5 43.8 -58.7 -46.5 11.4 18.5 27.8 60 69 A K H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 112.7 50.5 -73.0 -38.7 9.0 19.6 25.0 61 70 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.938 112.0 49.0 -61.4 -44.5 6.1 17.4 26.1 62 71 A R H X S+ 0 0 115 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.913 109.5 53.0 -60.6 -42.4 6.4 18.8 29.7 63 72 A K H X S+ 0 0 95 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.934 111.5 44.4 -58.3 -48.6 6.5 22.4 28.3 64 73 A V H >X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 3,-0.6 0.947 114.6 49.7 -63.9 -47.2 3.3 21.9 26.3 65 74 A C H >X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 3,-0.6 0.905 106.0 56.4 -56.1 -41.3 1.6 20.2 29.2 66 75 A K H 3< S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 99.9 59.5 -66.0 -30.4 2.6 22.9 31.6 67 76 A Q H << S+ 0 0 79 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.846 115.1 34.9 -65.1 -34.5 0.9 25.6 29.5 68 77 A L H << S+ 0 0 4 -4,-1.1 3,-0.5 -3,-0.6 -2,-0.2 0.846 94.0 108.8 -84.7 -37.0 -2.4 23.9 29.9 69 78 A D S < S+ 0 0 32 -4,-2.6 -52,-0.2 1,-0.2 3,-0.1 -0.033 79.0 15.7 -52.0 139.2 -2.1 22.6 33.4 70 79 A H S S+ 0 0 147 -54,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.848 105.1 95.4 70.4 39.9 -4.1 24.2 36.2 71 80 A H S S- 0 0 51 -3,-0.5 -53,-1.9 -55,-0.5 2,-0.5 -0.956 79.1 -98.8-143.9 168.2 -6.7 26.0 34.1 72 81 A F E -bd 18 107A 14 34,-2.9 36,-2.6 -2,-0.3 2,-0.7 -0.817 41.2-127.8 -81.4 128.5 -10.1 25.8 32.7 73 82 A I E - 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