==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHYDRATASE 02-OCT-99 1QML . COMPND 2 MOLECULE: 5-AMINOLAEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.T.ERSKINE,N.SENIOR,M.J.WARREN,S.P.WOOD,J.B.COOPER . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 25.3 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+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 2 0 0 2 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 3 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 1 A M 0 0 213 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.6 31.7 15.3 -45.8 2 2 A H - 0 0 187 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.378 360.0-178.6 -61.0 108.2 30.6 15.2 -42.2 3 3 A T - 0 0 97 -2,-0.6 2,-0.9 1,-0.0 -1,-0.0 -0.740 35.8 -97.0-106.5 150.4 26.9 15.8 -42.5 4 4 A A - 0 0 83 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.603 39.1-151.6 -74.0 103.6 24.2 16.1 -39.8 5 5 A E - 0 0 165 -2,-0.9 2,-0.4 1,-0.0 -1,-0.0 -0.505 9.4-166.6 -74.2 140.5 22.5 12.7 -39.5 6 6 A F - 0 0 182 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.927 16.9-133.8-132.9 106.2 18.8 12.8 -38.3 7 7 A L - 0 0 145 -2,-0.4 2,-0.7 1,-0.1 0, 0.0 -0.023 27.7 -98.9 -56.8 160.9 17.3 9.4 -37.2 8 8 A E - 0 0 189 1,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.788 46.3-151.2 -94.6 114.7 13.8 8.3 -38.4 9 9 A T - 0 0 133 -2,-0.7 -1,-0.0 1,-0.1 3,-0.0 -0.028 12.3-134.4 -76.3 171.7 11.1 8.9 -35.8 10 10 A E - 0 0 162 1,-0.0 3,-0.1 3,-0.0 -1,-0.1 -0.797 51.2 -74.0-120.4 154.4 7.8 7.6 -34.7 11 11 A P - 0 0 120 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.383 61.4 -96.9 -63.3 138.1 4.8 9.8 -33.9 12 12 A T - 0 0 115 1,-0.1 2,-0.3 2,-0.1 5,-0.0 -0.241 37.4-122.6 -51.3 130.8 5.2 11.7 -30.6 13 13 A E > - 0 0 123 1,-0.1 3,-0.8 -3,-0.1 4,-0.2 -0.592 6.8-136.4 -80.4 139.8 3.5 9.9 -27.6 14 14 A I G > S+ 0 0 157 1,-0.3 3,-0.7 -2,-0.3 2,-0.2 0.736 105.7 64.5 -65.8 -17.9 0.9 12.0 -25.8 15 15 A S G 3 S+ 0 0 114 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 -0.268 94.3 56.1 -99.1 44.0 2.5 10.6 -22.7 16 16 A S G < S+ 0 0 86 -3,-0.8 2,-0.7 -2,-0.2 3,-0.2 0.205 87.2 88.6-148.3 -2.2 5.9 12.3 -23.3 17 17 A V < + 0 0 87 -3,-0.7 3,-0.1 -4,-0.2 -3,-0.0 -0.792 33.5 130.4-111.5 85.2 4.5 15.8 -23.5 18 18 A L > + 0 0 140 -2,-0.7 3,-3.3 1,-0.1 4,-0.3 0.803 49.1 93.7 -99.3 -37.5 4.4 17.4 -20.1 19 19 A A G > S+ 0 0 54 1,-0.3 3,-0.5 -3,-0.2 -1,-0.1 0.485 74.3 65.6 -30.6 -27.5 6.1 20.6 -21.1 20 20 A G G 3 S+ 0 0 52 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.575 91.8 62.7 -82.8 -6.3 2.8 22.4 -21.7 21 21 A G G < S+ 0 0 29 -3,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.682 111.2 38.5 -86.7 -18.7 1.9 22.2 -18.0 22 22 A Y S < S+ 0 0 147 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 -0.484 84.9 97.0-126.4 60.8 4.9 24.3 -17.2 23 23 A N + 0 0 107 -3,-0.4 -2,-0.1 -2,-0.1 -3,-0.1 0.800 66.8 64.1-114.5 -49.6 5.3 27.1 -19.8 24 24 A H S S- 0 0 94 -4,-0.2 4,-0.4 1,-0.1 3,-0.3 -0.328 87.3-116.7 -70.1 156.6 3.8 30.3 -18.7 25 25 A P S > S+ 0 0 79 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.831 115.8 55.1 -64.4 -27.9 5.3 32.0 -15.6 26 26 A L G >> S+ 0 0 78 1,-0.2 3,-1.8 2,-0.2 4,-1.4 0.790 97.3 60.4 -72.3 -34.5 2.0 31.4 -13.8 27 27 A L G 34 S+ 0 0 41 -3,-0.3 -1,-0.2 1,-0.3 -3,-0.0 0.587 95.8 65.0 -72.8 -4.7 1.8 27.7 -14.4 28 28 A R G <4 S+ 0 0 165 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.287 105.8 42.3 -97.3 8.2 5.1 27.5 -12.5 29 29 A Q T <4 S+ 0 0 80 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.1 0.403 109.0 58.8-116.9 -29.0 3.1 28.7 -9.4 30 30 A W S < S+ 0 0 173 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.404 106.7 49.3 -83.9 -1.8 0.3 26.4 -10.4 31 31 A Q S S+ 0 0 121 -5,-0.2 2,-0.5 3,-0.0 -1,-0.2 0.503 84.5 104.7-112.8 -14.0 2.9 23.5 -10.1 32 32 A S - 0 0 33 1,-0.2 3,-0.2 -3,-0.1 -3,-0.1 -0.635 68.6-142.7 -75.7 118.8 4.2 24.5 -6.7 33 33 A E S S+ 0 0 139 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.699 89.0 2.2 -50.1 -24.0 2.9 22.1 -4.0 34 34 A R S S- 0 0 81 269,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.880 73.0-131.3-169.2 132.7 2.7 25.3 -1.9 35 35 A Q - 0 0 103 -2,-0.3 2,-0.4 -3,-0.2 -6,-0.0 -0.783 31.8-111.3 -95.1 137.5 3.5 28.9 -2.3 36 36 A L + 0 0 19 -2,-0.4 2,-0.2 263,-0.1 -1,-0.1 -0.495 38.8 177.5 -66.9 113.6 5.6 30.8 0.2 37 37 A T > - 0 0 70 -2,-0.4 3,-0.5 1,-0.1 4,-0.4 -0.521 41.3-109.6-110.5-179.9 3.8 33.5 2.3 38 38 A K G > S+ 0 0 63 1,-0.2 3,-1.0 -2,-0.2 46,-0.4 0.832 110.9 68.0 -80.0 -34.1 5.1 35.7 5.1 39 39 A N G 3 S+ 0 0 103 1,-0.2 -1,-0.2 44,-0.1 44,-0.0 0.217 93.0 62.2 -70.0 14.4 3.1 33.9 7.8 40 40 A M G < S+ 0 0 15 -3,-0.5 273,-2.3 272,-0.1 -1,-0.2 0.744 81.1 94.1-105.4 -36.2 5.4 30.9 7.3 41 41 A L E < -a 313 0A 2 -3,-1.0 43,-0.5 -4,-0.4 2,-0.4 -0.445 55.0-168.8 -64.3 124.6 8.6 32.6 8.3 42 42 A I E -a 314 0A 13 271,-2.6 273,-0.9 -2,-0.2 44,-0.2 -0.994 13.0-145.0-119.7 118.2 9.6 32.2 12.0 43 43 A F E -e 86 0B 4 42,-2.1 44,-2.1 -2,-0.4 2,-0.1 -0.765 8.4-136.1 -94.8 123.8 12.4 34.5 13.2 44 44 A P E -e 87 0B 5 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.480 19.3-157.0 -73.6 145.1 15.0 33.2 15.8 45 45 A L E -e 88 0B 3 42,-2.8 44,-2.5 -2,-0.1 2,-0.7 -0.986 14.4-160.8-128.6 133.1 15.9 35.6 18.6 46 46 A F E -ef 89 65B 42 18,-0.6 2,-0.8 -2,-0.4 20,-0.6 -0.720 17.2-169.4-115.9 81.6 19.0 35.7 20.8 47 47 A I E -ef 90 66B 1 42,-1.3 44,-3.4 -2,-0.7 20,-0.2 -0.640 9.9-155.1 -74.4 105.2 17.9 37.7 23.8 48 48 A S E -e 91 0B 2 18,-3.8 20,-0.4 -2,-0.8 5,-0.1 -0.303 21.8-118.1 -80.3 162.3 21.0 38.5 25.9 49 49 A D S S+ 0 0 37 42,-2.1 18,-0.1 18,-0.1 -1,-0.1 0.633 95.5 82.5 -78.8 -15.5 21.1 39.3 29.6 50 50 A N S > S- 0 0 80 41,-0.2 3,-4.0 16,-0.2 2,-0.9 -0.750 74.5-151.8 -92.9 98.7 22.5 42.8 29.2 51 51 A P T 3 S+ 0 0 56 0, 0.0 18,-0.8 0, 0.0 16,-0.2 0.316 94.8 55.8 -53.0 14.9 19.2 44.6 28.6 52 52 A D T 3 S+ 0 0 111 -2,-0.9 15,-0.1 16,-0.1 -3,-0.1 0.285 86.9 120.7-126.6 2.7 21.2 47.2 26.6 53 53 A D < + 0 0 20 -3,-4.0 14,-1.9 13,-0.1 17,-0.2 -0.237 21.7 152.9 -72.8 155.4 22.8 44.6 24.3 54 54 A F E +G 66 0B 60 12,-0.4 2,-0.5 11,-0.2 12,-0.3 -0.147 27.5 169.8 178.4 53.6 22.6 44.4 20.6 55 55 A T E -G 65 0B 61 10,-2.0 10,-2.6 1,-0.0 2,-0.2 -0.724 30.8-129.2 -87.4 122.0 25.8 42.6 19.9 56 56 A E E -G 64 0B 140 -2,-0.5 8,-0.2 8,-0.2 2,-0.1 -0.506 20.6-164.4 -71.5 131.0 26.5 41.2 16.4 57 57 A I + 0 0 77 6,-2.3 2,-0.2 -2,-0.2 -1,-0.1 -0.062 21.6 176.8 -97.0-154.4 27.5 37.6 16.2 58 58 A D + 0 0 105 1,-0.1 4,-0.1 -2,-0.1 6,-0.0 -0.763 55.0 144.9 156.5 157.4 29.1 36.2 13.0 59 59 A S S S- 0 0 82 -2,-0.2 -1,-0.1 2,-0.1 158,-0.0 -0.094 123.6 -27.7-177.8 -21.9 30.7 33.9 10.5 60 60 A L S S+ 0 0 13 224,-0.0 -2,-0.1 225,-0.0 218,-0.0 0.017 111.5 139.8 177.1 -10.3 28.7 35.6 7.8 61 61 A P - 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