==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-JAN-07 2OKH . COMPND 2 MOLECULE: BETA-HYDROXYACYL-ACP DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR P.L.SWARNAMUKHI,S.K.SHARMA,P.PADALA,N.SUROLIA,A.SUROLIA, . 244 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 43.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 26 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 2 0 2 3 3 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 0 0 0 0 0 0 0 0 0 0 1 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 94 A K 0 0 221 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.2 -20.1 -2.9 -32.9 2 95 A I + 0 0 139 8,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.987 360.0 164.3-134.6 144.9 -17.8 -4.4 -30.3 3 96 A L - 0 0 125 1,-0.4 53,-0.1 -2,-0.4 0, 0.0 -0.331 47.6 -18.0-133.3-148.0 -15.1 -3.0 -28.0 4 97 A P + 0 0 57 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.384 54.2 141.8 -46.8-162.6 -13.1 -4.2 -25.0 5 98 A H - 0 0 51 -3,-0.1 5,-0.1 5,-0.0 58,-0.0 0.223 33.1-157.4 124.9 116.1 -14.0 -7.1 -22.6 6 99 A R S S+ 0 0 101 -2,-0.1 157,-0.2 156,-0.1 57,-0.0 0.821 85.5 80.3 -81.1 -32.6 -11.2 -9.4 -21.2 7 100 A Y S S- 0 0 2 1,-0.1 153,-0.1 157,-0.1 152,-0.1 -0.567 89.5-135.3 -71.1 132.7 -13.9 -11.9 -20.8 8 101 A P S S+ 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.736 81.9 64.3 -61.3 -33.2 -14.4 -13.4 -24.3 9 102 A F S S- 0 0 63 150,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.870 77.6-134.9-104.3 126.0 -18.2 -13.3 -24.5 10 103 A L - 0 0 65 -2,-0.5 39,-0.1 1,-0.1 -5,-0.0 -0.623 13.0-159.4 -75.7 128.0 -20.1 -10.1 -24.5 11 104 A L + 0 0 2 -2,-0.4 2,-0.3 37,-0.1 42,-0.1 -0.193 65.5 84.8-104.8 41.3 -23.0 -10.4 -22.0 12 105 A V - 0 0 13 1,-0.1 16,-0.2 40,-0.1 3,-0.2 -0.877 47.1-179.2-142.1 103.0 -25.2 -7.6 -23.4 13 106 A D S S+ 0 0 74 14,-1.6 2,-0.3 -2,-0.3 15,-0.2 0.741 74.4 6.3 -73.0 -23.2 -27.4 -8.5 -26.3 14 107 A K E -A 27 0A 105 13,-1.2 13,-1.6 3,-0.0 2,-0.9 -0.902 53.5-143.4-168.7 131.4 -28.8 -5.0 -26.6 15 108 A V E +A 26 0A 54 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.851 25.1 176.0 -94.6 104.6 -28.4 -1.5 -25.2 16 109 A I E + 0 0 89 9,-1.0 2,-0.3 -2,-0.9 10,-0.2 0.722 66.0 12.4 -85.2 -20.4 -32.0 -0.3 -25.1 17 110 A Y E +A 25 0A 105 8,-2.0 8,-4.0 -3,-0.1 2,-0.3 -0.957 62.6 171.5-158.6 137.4 -31.3 3.0 -23.5 18 111 A M E -A 24 0A 77 -2,-0.3 6,-0.2 6,-0.3 -3,-0.0 -0.985 12.9-170.4-151.0 136.8 -28.2 5.1 -22.7 19 112 A Q E >> -A 23 0A 94 4,-3.2 3,-2.1 -2,-0.3 4,-1.5 -0.962 38.8-111.4-128.3 111.5 -27.5 8.6 -21.4 20 113 A P T 34 S- 0 0 84 0, 0.0 3,-0.1 0, 0.0 38,-0.1 0.046 93.9 -1.9 -40.0 142.9 -23.9 9.8 -21.7 21 114 A N T 34 S+ 0 0 128 36,-0.3 3,-0.1 1,-0.2 37,-0.1 0.604 132.5 58.0 48.3 15.2 -22.0 10.2 -18.4 22 115 A K T <4 S- 0 0 37 -3,-2.1 66,-1.6 1,-0.3 2,-0.3 0.582 103.7 -18.2-134.4 -62.6 -25.2 9.3 -16.4 23 116 A T E < -AB 19 87A 18 -4,-1.5 -4,-3.2 64,-0.2 2,-0.3 -0.978 41.4-163.5-151.8 163.2 -26.9 5.9 -16.9 24 117 A I E -AB 18 86A 0 62,-1.4 62,-2.0 -2,-0.3 2,-0.4 -0.986 4.2-162.0-151.6 140.7 -27.3 3.0 -19.3 25 118 A I E +AB 17 85A 38 -8,-4.0 -8,-2.0 -2,-0.3 -9,-1.0 -0.986 22.1 149.3-126.7 134.6 -29.8 0.1 -19.7 26 119 A G E -AB 15 84A 0 58,-2.6 58,-3.5 -2,-0.4 2,-0.3 -0.846 23.1-143.8-147.7-176.5 -29.4 -3.1 -21.5 27 120 A L E -AB 14 83A 26 -13,-1.6 -14,-1.6 -2,-0.3 -13,-1.2 -0.986 5.8-148.5-155.8 162.5 -30.5 -6.7 -21.4 28 121 A K E - B 0 82A 8 54,-2.2 54,-3.2 -2,-0.3 2,-0.8 -0.933 11.3-147.8-141.4 117.4 -29.6 -10.3 -22.0 29 122 A Q E - B 0 81A 77 -2,-0.4 2,-1.2 52,-0.3 52,-0.2 -0.716 24.4-138.4 -79.1 111.3 -31.8 -13.2 -23.1 30 123 A V - 0 0 4 50,-3.2 49,-2.0 -2,-0.8 50,-0.3 -0.606 27.4-168.3 -76.9 99.4 -30.3 -16.2 -21.4 31 124 A S > - 0 0 63 -2,-1.2 3,-0.5 47,-0.2 49,-0.1 -0.298 34.4-118.1 -80.7 168.3 -30.4 -18.9 -24.1 32 125 A T T 3 S+ 0 0 121 1,-0.2 -1,-0.1 46,-0.1 -2,-0.1 0.437 112.3 63.3 -84.9 -0.4 -29.9 -22.6 -23.6 33 126 A N T 3 S+ 0 0 149 3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.316 70.5 145.6-118.4 46.0 -26.9 -22.2 -25.9 34 127 A E X - 0 0 20 -3,-0.5 3,-1.8 1,-0.1 -4,-0.0 -0.608 56.6-124.4 -83.5 143.5 -24.8 -19.8 -23.8 35 128 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 124,-0.0 0.860 111.8 57.0 -55.5 -37.8 -21.0 -20.3 -24.1 36 129 A F T 3 0 0 6 1,-0.2 -2,-0.0 9,-0.0 123,-0.0 0.179 360.0 360.0 -81.1 20.3 -20.7 -20.7 -20.3 37 130 A F < 0 0 58 -3,-1.8 -1,-0.2 93,-0.1 -3,-0.1 -0.426 360.0 360.0-114.8 360.0 -23.2 -23.6 -20.5 38 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 39 138 A Q 0 0 141 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 114.7 -28.6 -24.7 -15.7 40 139 A I - 0 0 50 89,-0.3 37,-0.2 37,-0.2 36,-0.0 -1.000 360.0-115.6-145.9 142.7 -28.1 -21.3 -14.2 41 140 A M B -M 76 0B 1 35,-2.2 35,-0.6 -2,-0.3 89,-0.1 -0.689 43.2-123.5 -76.9 114.1 -26.1 -18.2 -15.0 42 141 A P >> - 0 0 5 0, 0.0 3,-3.2 0, 0.0 4,-0.7 -0.398 13.2-122.5 -63.1 133.1 -23.7 -17.9 -12.1 43 142 A G H 3> S+ 0 0 9 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.666 111.1 68.6 -48.5 -19.1 -23.9 -14.6 -10.3 44 143 A V H 3> S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.798 98.9 48.5 -72.2 -29.1 -20.2 -14.1 -11.1 45 144 A L H <> S+ 0 0 0 -3,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.547 105.4 59.8 -86.0 -9.3 -21.1 -13.8 -14.8 46 145 A Q H X S+ 0 0 3 -4,-0.7 4,-2.6 -3,-0.3 5,-0.3 0.843 101.7 51.3 -82.8 -39.7 -23.8 -11.3 -13.8 47 146 A I H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.990 111.1 51.7 -57.2 -53.5 -21.2 -9.1 -12.3 48 147 A E H X S+ 0 0 15 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.908 108.4 47.9 -46.2 -58.8 -19.4 -9.5 -15.6 49 148 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.940 115.0 45.8 -50.6 -52.5 -22.4 -8.5 -17.7 50 149 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.868 110.5 55.4 -61.8 -33.7 -23.1 -5.4 -15.6 51 150 A A H X S+ 0 0 5 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.933 108.1 47.8 -63.9 -44.1 -19.3 -4.7 -15.7 52 151 A Q H X S+ 0 0 15 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.941 110.1 51.1 -61.8 -49.6 -19.4 -4.7 -19.5 53 152 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 3,-0.3 0.964 109.5 50.5 -50.6 -57.8 -22.5 -2.4 -19.7 54 153 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 -1,-0.3 0.861 111.9 49.8 -47.0 -41.4 -20.8 0.1 -17.3 55 154 A G H X S+ 0 0 17 -4,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.873 105.1 55.5 -67.7 -40.0 -17.9 -0.1 -19.7 56 155 A I H >< S+ 0 0 63 -4,-2.8 3,-0.7 -3,-0.3 -2,-0.2 0.988 109.9 48.0 -53.6 -58.7 -20.1 0.5 -22.7 57 156 A L H 3< S+ 0 0 14 -4,-2.5 -36,-0.3 1,-0.2 -2,-0.2 0.909 109.3 51.4 -45.5 -59.9 -21.3 3.7 -21.0 58 157 A C H 3< 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 360.0 360.0 -51.9 -36.2 -17.8 4.9 -20.1 59 158 A L << 0 0 102 -4,-2.0 -2,-0.2 -3,-0.7 -1,-0.2 0.999 360.0 360.0 -67.9 360.0 -16.5 4.5 -23.7 60 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 168 A L 0 0 110 0, 0.0 61,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.3 -8.6 2.0 -22.0 62 169 A F E -C 121 0A 38 59,-0.3 2,-0.4 35,-0.0 59,-0.2 -0.962 360.0-167.5-128.3 146.4 -10.5 0.7 -19.0 63 170 A L E -C 120 0A 56 57,-2.3 57,-3.2 -2,-0.4 2,-1.1 -0.993 32.6-112.2-133.9 139.7 -9.8 -2.1 -16.5 64 171 A F E +C 119 0A 29 -2,-0.4 55,-0.3 55,-0.2 3,-0.1 -0.572 38.8 174.8 -72.3 97.8 -12.1 -3.6 -13.9 65 172 A A E - 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