==== 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 17-JAN-07 2OKI . 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 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 73.4 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 . 99 40.6 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 . 1 0.4 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 . 1 0.4 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 . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 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 . 2 3 0 1 0 0 4 3 0 1 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 0 233 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.8 -23.3 -7.2 -38.8 2 95 A I + 0 0 128 3,-0.0 3,-0.1 8,-0.0 0, 0.0 -0.893 360.0 172.7-123.4 150.8 -20.2 -7.7 -36.6 3 96 A L - 0 0 85 -2,-0.4 59,-0.1 1,-0.1 0, 0.0 -0.925 52.9 -50.6-138.9 156.9 -17.5 -5.6 -35.0 4 97 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.224 52.2-172.6 -31.2 141.9 -14.7 -6.6 -32.5 5 98 A H - 0 0 92 1,-0.1 5,-0.1 -3,-0.1 53,-0.0 -0.981 25.8-154.1-148.9 131.4 -15.4 -8.5 -29.3 6 99 A R S S+ 0 0 99 -2,-0.3 161,-0.3 48,-0.1 -1,-0.1 0.953 88.5 55.4 -62.7 -54.0 -13.3 -9.5 -26.3 7 100 A Y S S- 0 0 2 2,-0.2 161,-0.1 1,-0.1 155,-0.0 -0.443 93.2-119.2 -78.2 152.0 -15.4 -12.5 -25.4 8 101 A P S S+ 0 0 51 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.725 93.2 64.1 -67.9 -20.8 -16.0 -15.2 -28.2 9 102 A F S S- 0 0 48 2,-0.0 2,-0.5 0, 0.0 -2,-0.2 -0.903 78.0-131.9-115.3 133.0 -19.8 -14.7 -28.2 10 103 A L - 0 0 77 -2,-0.4 45,-0.1 1,-0.1 -5,-0.0 -0.664 17.1-167.2 -77.4 120.7 -21.9 -11.7 -29.1 11 104 A L + 0 0 3 -2,-0.5 2,-0.4 43,-0.1 -1,-0.1 -0.046 63.5 81.2-102.4 32.3 -24.4 -11.1 -26.3 12 105 A V - 0 0 15 1,-0.1 16,-0.2 46,-0.1 3,-0.1 -0.955 48.4-179.3-138.2 113.6 -26.6 -8.7 -28.3 13 106 A D S S+ 0 0 80 14,-1.4 2,-0.3 -2,-0.4 15,-0.2 0.743 72.4 0.6 -83.9 -26.4 -29.1 -9.9 -30.8 14 107 A K E -A 27 0A 111 13,-1.5 13,-2.6 0, 0.0 2,-0.5 -0.882 53.7-140.7-169.3 133.7 -30.3 -6.5 -31.8 15 108 A V E -A 26 0A 63 11,-0.3 11,-0.3 -2,-0.3 3,-0.1 -0.831 18.9-177.0 -92.3 124.6 -29.9 -2.8 -31.2 16 109 A I E + 0 0 89 9,-3.4 2,-0.2 -2,-0.5 10,-0.2 0.320 63.0 8.4-108.7 10.8 -33.3 -1.1 -31.3 17 110 A Y E + 0 0 143 8,-0.3 8,-2.6 2,-0.0 -1,-0.3 -0.827 57.8 174.7 176.9 143.7 -32.2 2.6 -30.8 18 111 A M E -A 24 0A 61 6,-0.2 6,-0.2 -2,-0.2 -3,-0.0 -0.886 15.1-176.0-165.5 132.1 -29.2 4.8 -30.8 19 112 A Q E >> -A 23 0A 30 4,-2.6 4,-1.5 -2,-0.3 3,-1.0 -0.932 43.9-111.4-128.0 103.5 -28.2 8.5 -30.6 20 113 A P T 34 S+ 0 0 68 0, 0.0 47,-0.2 0, 0.0 3,-0.2 0.287 94.9 10.2 -29.3 154.2 -24.3 9.0 -30.9 21 114 A N T 34 S+ 0 0 82 42,-0.5 46,-0.1 1,-0.2 43,-0.1 0.686 131.0 54.9 42.4 22.1 -22.2 10.2 -28.0 22 115 A K T <4 S- 0 0 144 -3,-1.0 75,-3.5 1,-0.3 2,-0.3 0.463 100.9 -25.1-140.0 -75.1 -25.3 9.6 -25.8 23 116 A T E < -AB 19 96A 26 -4,-1.5 -4,-2.6 73,-0.2 2,-0.3 -0.958 37.7-169.7-150.4 168.4 -27.3 6.4 -25.4 24 117 A I E -AB 18 95A 2 71,-1.3 71,-1.3 -2,-0.3 2,-0.4 -0.982 11.2-150.1-155.6 156.6 -28.4 3.2 -27.0 25 118 A I E + B 0 94A 34 -8,-2.6 -9,-3.4 -2,-0.3 -8,-0.3 -0.872 23.5 164.4-137.9 103.2 -30.9 0.4 -26.4 26 119 A G E -AB 15 93A 0 67,-0.6 67,-1.8 -2,-0.4 2,-0.3 -0.560 17.9-148.5-108.2 178.4 -30.2 -3.2 -27.6 27 120 A L E -AB 14 92A 32 -13,-2.6 -13,-1.5 65,-0.2 -14,-1.4 -0.993 4.2-156.0-148.1 151.6 -31.9 -6.5 -26.6 28 121 A K E - B 0 91A 3 63,-2.3 63,-2.3 -2,-0.3 2,-0.7 -0.988 12.2-143.0-136.0 131.0 -31.0 -10.2 -26.3 29 122 A Q E - B 0 90A 85 -2,-0.4 2,-0.8 61,-0.2 61,-0.2 -0.792 22.8-135.1 -91.5 113.6 -33.1 -13.3 -26.4 30 123 A V - 0 0 1 59,-1.9 58,-3.0 -2,-0.7 2,-0.1 -0.588 26.3-161.7 -72.9 108.1 -32.0 -15.9 -23.9 31 124 A S > - 0 0 55 -2,-0.8 3,-0.5 56,-0.2 58,-0.1 -0.451 27.6-130.0 -87.9 163.6 -31.9 -19.3 -25.7 32 125 A T T 3 S+ 0 0 117 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.590 107.1 58.1 -85.1 -10.9 -31.9 -22.7 -24.1 33 126 A N T 3 S+ 0 0 118 4,-0.1 -1,-0.2 5,-0.0 3,-0.0 -0.359 73.8 134.7-115.8 48.6 -29.0 -23.5 -26.4 34 127 A E X> - 0 0 20 -3,-0.5 3,-2.2 1,-0.1 4,-2.0 -0.775 62.2-120.8-100.7 147.6 -26.5 -20.8 -25.4 35 128 A P T 34 S+ 0 0 35 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.913 112.4 54.4 -45.2 -57.4 -22.8 -21.7 -24.8 36 129 A F T 34 S+ 0 0 9 1,-0.2 15,-0.1 -3,-0.0 -3,-0.0 0.454 110.4 48.8 -60.9 -3.9 -22.8 -20.4 -21.3 37 130 A F T <4 S+ 0 0 9 -3,-2.2 2,-0.5 97,-0.1 3,-0.2 0.768 87.7 88.0-101.4 -44.1 -25.7 -22.7 -20.5 38 131 A N < + 0 0 87 -4,-2.0 3,-0.1 1,-0.2 -5,-0.0 -0.424 64.4 83.3 -59.0 109.6 -24.2 -25.8 -22.1 39 132 A G S S+ 0 0 39 1,-0.5 2,-0.2 -2,-0.5 -1,-0.2 0.310 96.4 15.8 163.4 13.6 -22.4 -27.2 -19.0 40 133 A H S S- 0 0 77 -3,-0.2 -1,-0.5 5,-0.0 3,-0.1 -0.761 77.2-110.6 167.4 153.4 -25.1 -29.0 -17.1 41 134 A F - 0 0 177 -2,-0.2 3,-0.3 1,-0.2 -3,-0.0 -0.508 56.7 -24.4-105.2 171.0 -28.6 -30.4 -17.8 42 135 A P S S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.477 93.1 79.2 -11.0 118.4 -32.4 -29.8 -16.9 43 136 A Q S S- 0 0 155 -3,-0.1 -2,-0.0 2,-0.0 -3,-0.0 -0.339 104.9 -26.8 172.7 -78.9 -33.0 -28.1 -13.6 44 137 A K - 0 0 113 -3,-0.3 2,-0.5 2,-0.0 -3,-0.0 -0.372 54.4-168.0-163.5 73.0 -32.6 -24.3 -13.6 45 138 A Q - 0 0 31 -5,-0.0 2,-0.4 2,-0.0 -8,-0.1 -0.576 15.2-175.7 -72.3 121.2 -30.2 -22.8 -16.1 46 139 A I - 0 0 21 -2,-0.5 40,-0.2 87,-0.2 3,-0.1 -0.986 30.3-113.5-123.8 120.5 -29.7 -19.2 -15.0 47 140 A M B -M 85 0B 2 38,-2.0 38,-0.6 -2,-0.4 87,-0.1 -0.366 42.4-107.3 -58.8 115.2 -27.6 -16.7 -17.1 48 141 A P >> - 0 0 2 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.114 15.0-131.3 -46.4 122.5 -24.5 -15.8 -15.1 49 142 A G H >> S+ 0 0 22 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.817 108.5 58.6 -46.8 -32.9 -24.5 -12.3 -13.7 50 143 A V H 3> S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.862 99.4 52.6 -67.9 -38.8 -21.0 -11.9 -15.2 51 144 A L H <> S+ 0 0 0 -3,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.567 103.8 63.4 -75.0 -5.7 -22.1 -12.7 -18.8 52 145 A Q H < S+ 0 0 4 -4,-1.3 3,-1.2 1,-0.2 -2,-0.2 0.905 111.5 53.7 -62.7 -39.5 -18.3 4.2 -28.2 65 158 A L H 3< S+ 0 0 78 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.871 110.8 44.3 -62.3 -39.5 -17.7 2.8 -31.7 66 159 A K T 3< 0 0 131 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.359 360.0 360.0 -88.4 6.8 -20.5 5.0 -33.1 67 160 A S < 0 0 41 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.126 360.0 360.0-106.5 360.0 -19.4 8.1 -31.2 68 ! 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 69 167 A N 0 0 160 0, 0.0 2,-0.4 0, 0.0 58,-0.1 0.000 360.0 360.0 360.0 108.1 -9.3 3.9 -32.4 70 168 A L - 0 0 86 2,-0.0 58,-1.7 0, 0.0 2,-0.8 -0.970 360.0-143.7-122.0 132.0 -9.8 0.7 -30.5 71 169 A F E -C 127 0A 36 -2,-0.4 2,-0.6 56,-0.2 56,-0.2 -0.812 15.6-171.6-103.7 105.5 -12.0 0.3 -27.3 72 170 A L E -C 126 0A 31 54,-2.1 54,-3.3 -2,-0.8 2,-0.8 -0.819 29.4-122.1 -97.5 112.3 -10.6 -2.0 -24.7 73 171 A F E +C 125 0A 8 -2,-0.6 52,-0.3 52,-0.3 97,-0.1 -0.346 40.0 174.1 -55.9 97.9 -12.9 -2.8 -21.8 74 172 A A E - 0 0 24 50,-2.0 128,-3.3 -2,-0.8 2,-0.3 0.901 46.6 -31.3 -80.1 -49.1 -10.7 -1.6 -18.9 75 173 A G E -CD 124 201A 0 49,-1.5 49,-3.3 126,-0.2 2,-0.3 -0.969 48.5-133.0-162.9 176.5 -12.7 -1.9 -15.7 76 174 A V E -CD 123 200A 0 124,-2.0 124,-2.4 -2,-0.3 123,-0.7 -0.994 9.8-166.2-149.9 142.1 -16.1 -1.7 -14.0 77 175 A D E +C 122 0A 24 45,-3.3 45,-2.1 -2,-0.3 44,-0.6 -0.946 62.2 8.1-126.6 148.2 -17.7 -0.2 -10.9 78 176 A G E + 0 0 4 -2,-0.3 43,-2.4 43,-0.2 2,-0.6 0.968 63.8 171.9 53.4 67.4 -21.0 -0.6 -9.0 79 177 A V E -CE 120 197A 0 118,-2.4 118,-2.1 41,-0.3 2,-0.5 -0.932 6.8-176.5-107.2 121.7 -22.5 -3.7 -10.6 80 178 A R E -CE 119 196A 85 39,-2.7 39,-3.1 -2,-0.6 2,-0.8 -0.984 15.4-151.9-120.5 127.3 -25.6 -4.9 -8.8 81 179 A W + 0 0 33 114,-2.4 37,-0.3 -2,-0.5 -32,-0.0 -0.880 23.2 166.9 -99.1 111.5 -27.4 -8.0 -9.8 82 180 A K + 0 0 126 -2,-0.8 35,-0.2 35,-0.4 -1,-0.2 0.948 58.5 17.8 -86.2 -69.5 -31.0 -7.7 -8.9 83 181 A K S S- 0 0 86 33,-0.1 -1,-0.2 32,-0.1 2,-0.2 -0.779 76.2-110.9-111.5 151.8 -32.9 -10.5 -10.7 84 182 A P - 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