==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHYDRATASE 09-JUL-01 1H7O . COMPND 2 MOLECULE: 5-AMINOLAEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.T.ERSKINE,R.NEWBOLD,A.A.BRINDLEY,S.P.WOOD, . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 0 0.0 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 . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 1 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 0 223 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.9 31.9 16.2 -45.2 2 2 A H + 0 0 179 3,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.704 360.0 172.9 -88.4 114.8 30.1 16.0 -41.8 3 3 A T - 0 0 96 -2,-0.6 2,-0.4 1,-0.0 0, 0.0 -0.790 42.1 -83.1-117.4 166.8 26.5 17.0 -41.9 4 4 A A - 0 0 69 -2,-0.3 2,-0.4 1,-0.0 -1,-0.0 -0.469 42.1-150.4 -67.2 118.7 23.7 16.9 -39.3 5 5 A E - 0 0 164 -2,-0.4 2,-0.4 2,-0.0 -1,-0.0 -0.734 10.5-167.8 -88.1 139.3 22.2 13.4 -39.2 6 6 A F - 0 0 178 -2,-0.4 2,-0.2 3,-0.0 3,-0.0 -0.996 16.5-134.5-124.8 124.6 18.5 13.2 -38.2 7 7 A L - 0 0 141 -2,-0.4 2,-0.3 1,-0.1 -2,-0.0 -0.552 27.8-101.1 -81.4 150.9 17.1 9.8 -37.3 8 8 A E - 0 0 199 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.503 49.6-157.1 -63.5 120.3 13.7 8.7 -38.6 9 9 A T - 0 0 124 -2,-0.3 3,-0.1 1,-0.0 -1,-0.0 -0.736 12.6-124.9-116.3 158.0 11.2 9.2 -35.8 10 10 A E - 0 0 161 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.423 48.0 -78.2 -83.2 162.2 7.8 7.9 -34.8 11 11 A P - 0 0 119 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.241 63.9 -87.6 -57.5 152.5 4.7 10.0 -34.1 12 12 A T - 0 0 115 -3,-0.1 2,-0.4 1,-0.1 3,-0.1 -0.418 38.2-133.8 -62.8 130.9 4.8 11.7 -30.7 13 13 A E > - 0 0 128 -2,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.738 7.1-138.4 -87.7 139.8 3.4 9.7 -27.9 14 14 A I G > S+ 0 0 155 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.909 103.3 65.3 -59.4 -43.5 1.0 11.6 -25.6 15 15 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.668 98.2 55.9 -51.0 -26.5 2.7 9.9 -22.6 16 16 A S G < S+ 0 0 85 -3,-1.5 2,-1.0 1,-0.1 -1,-0.3 0.707 84.8 95.1 -78.9 -21.0 5.9 11.8 -23.5 17 17 A V < + 0 0 83 -3,-2.2 -1,-0.1 -4,-0.5 3,-0.0 -0.673 28.5 141.5 -91.9 100.3 4.4 15.3 -23.4 18 18 A L > + 0 0 131 -2,-1.0 3,-2.1 1,-0.1 4,-0.2 0.600 52.3 87.8 -97.9 -23.8 4.9 17.1 -20.1 19 19 A A G > S+ 0 0 60 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.675 70.1 74.2 -61.6 -22.7 5.6 20.6 -21.5 20 20 A G G 3 S+ 0 0 56 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.747 93.9 56.7 -66.6 -16.8 2.0 21.7 -21.7 21 21 A G G < S+ 0 0 23 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.568 114.8 30.2 -92.2 -4.5 2.0 22.0 -17.9 22 22 A Y S < S+ 0 0 130 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.127 75.9 110.0-148.3 54.5 4.9 24.5 -17.5 23 23 A N S S+ 0 0 108 -3,-0.3 -1,-0.1 -4,-0.0 -3,-0.1 0.354 75.1 54.4-104.1 1.2 5.3 26.8 -20.5 24 24 A H S >> S- 0 0 101 1,-0.1 4,-1.4 -3,-0.1 3,-0.6 -0.974 83.8-116.1-136.8 147.7 4.1 30.0 -18.7 25 25 A P H 3> S+ 0 0 79 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.865 115.6 51.8 -47.8 -45.3 5.2 31.9 -15.6 26 26 A L H >> S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.848 104.6 58.6 -64.2 -34.8 1.8 31.4 -13.8 27 27 A L H <> S+ 0 0 25 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.863 95.3 60.2 -62.7 -36.2 2.1 27.6 -14.5 28 28 A R H 3< S+ 0 0 143 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 109.8 46.1 -73.7 -10.9 5.3 27.2 -12.6 29 29 A Q H X< S+ 0 0 84 -3,-0.8 3,-1.7 -4,-0.6 -2,-0.2 0.787 107.8 54.0 -83.1 -43.3 3.2 28.5 -9.7 30 30 A W H 3< S+ 0 0 185 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.749 103.6 62.0 -60.0 -22.7 0.3 26.2 -10.5 31 31 A Q T 3< S+ 0 0 117 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.424 82.9 94.3 -86.1 -0.5 2.9 23.4 -10.3 32 32 A S < - 0 0 50 -3,-1.7 3,-0.2 1,-0.1 -3,-0.0 -0.757 64.4-151.1 -98.9 137.3 3.9 24.0 -6.7 33 33 A E S S+ 0 0 145 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.791 87.3 16.3 -79.6 -15.4 2.1 21.9 -4.1 34 34 A R S S- 0 0 76 282,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.952 73.4-143.2-150.9 135.2 2.5 24.7 -1.6 35 35 A Q - 0 0 116 -2,-0.3 2,-0.3 -3,-0.2 -6,-0.0 -0.717 28.0-107.6 -99.5 150.3 3.4 28.4 -2.0 36 36 A L + 0 0 20 -2,-0.3 2,-0.3 276,-0.1 -1,-0.1 -0.494 43.0 175.8 -70.8 126.7 5.6 30.4 0.3 37 37 A T > - 0 0 61 -2,-0.3 3,-1.2 1,-0.1 4,-0.1 -0.867 40.8-110.9-125.1 167.4 3.5 32.9 2.4 38 38 A K G > S+ 0 0 50 -2,-0.3 3,-1.7 1,-0.3 46,-0.4 0.816 112.2 61.7 -64.3 -36.5 4.6 35.3 5.2 39 39 A N G 3 S+ 0 0 107 1,-0.3 -1,-0.3 44,-0.1 43,-0.0 0.537 92.5 68.6 -75.1 -0.2 2.8 33.5 8.0 40 40 A M G < S+ 0 0 22 -3,-1.2 286,-2.8 285,-0.1 2,-0.3 0.529 82.6 98.7 -84.7 -10.7 5.0 30.4 7.3 41 41 A L E < -a 326 0A 0 -3,-1.7 2,-0.4 284,-0.2 43,-0.4 -0.621 50.5-171.4 -89.6 140.3 8.1 32.2 8.5 42 42 A I E -a 327 0A 7 284,-2.5 286,-2.1 -2,-0.3 44,-0.2 -0.995 11.8-154.4-127.0 122.5 9.6 31.9 12.0 43 43 A F E -e 86 0B 1 42,-2.3 44,-1.6 -2,-0.4 2,-0.2 -0.835 11.4-133.4-102.7 123.0 12.4 34.2 13.0 44 44 A P E -e 87 0B 1 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.490 17.8-165.0 -72.4 143.0 15.0 33.4 15.6 45 45 A L E -e 88 0B 4 42,-2.2 44,-2.2 -2,-0.2 2,-0.7 -0.993 9.9-152.8-122.4 131.8 15.9 35.9 18.3 46 46 A F E -ef 89 65B 1 18,-0.6 20,-2.2 -2,-0.4 2,-0.4 -0.943 19.3-155.3-109.5 108.3 19.0 35.6 20.5 47 47 A I E -ef 90 66B 0 42,-2.8 44,-3.5 -2,-0.7 20,-0.2 -0.724 2.7-151.8 -96.2 124.5 18.2 37.4 23.8 48 48 A S E -e 91 0B 4 18,-2.9 20,-0.4 -2,-0.4 5,-0.0 -0.563 20.4-136.9 -90.4 151.1 21.0 38.8 25.9 49 49 A D S S+ 0 0 32 42,-1.0 -1,-0.1 -2,-0.2 18,-0.1 0.705 94.6 84.5 -82.3 -15.6 20.9 39.2 29.7 50 50 A N S > S- 0 0 81 1,-0.2 3,-2.2 2,-0.1 -2,-0.2 -0.742 75.6-157.3 -75.1 107.6 22.5 42.6 29.0 51 51 A P T 3 S+ 0 0 58 0, 0.0 18,-1.2 0, 0.0 19,-0.6 0.648 89.5 53.1 -68.3 -11.2 19.3 44.5 28.3 52 52 A D T 3 S+ 0 0 106 17,-0.1 -2,-0.1 16,-0.1 -3,-0.0 0.401 84.0 128.7-101.7 6.3 21.1 47.1 26.3 53 53 A D < + 0 0 20 -3,-2.2 14,-2.4 1,-0.1 17,-0.2 -0.292 17.0 152.3 -63.2 141.2 22.8 44.5 24.0 54 54 A F E +G 66 0B 68 12,-0.3 2,-0.4 2,-0.0 12,-0.2 -0.325 28.6 162.6-162.5 63.5 22.6 44.7 20.2 55 55 A T E -G 65 0B 60 10,-2.0 10,-3.1 1,-0.0 2,-0.1 -0.801 38.8-118.9-100.3 125.5 25.8 42.9 19.3 56 56 A E E -G 64 0B 138 -2,-0.4 2,-0.9 8,-0.2 8,-0.2 -0.359 12.2-143.3 -58.4 133.8 26.8 41.5 15.9 57 57 A I > - 0 0 5 6,-2.1 3,-4.5 3,-0.4 6,-0.2 -0.779 16.9-158.6 -98.0 82.1 27.3 37.7 15.8 58 58 A D T 3 S+ 0 0 146 -2,-0.9 -1,-0.1 1,-0.3 4,-0.1 0.635 88.2 54.5 -39.0 -32.1 30.2 38.0 13.2 59 59 A S T 3 S+ 0 0 31 159,-0.2 -1,-0.3 1,-0.2 160,-0.1 0.523 105.5 57.4 -80.1 -8.7 29.7 34.3 12.2 60 60 A L S X S- 0 0 1 -3,-4.5 3,-2.0 3,-0.2 -3,-0.4 -0.798 91.8-132.4-130.5 85.5 26.0 35.0 11.4 61 61 A P T 3 S- 0 0 40 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.008 82.0 -0.5 -50.0 130.2 25.6 37.7 8.9 62 62 A N T 3 S+ 0 0 105 1,-0.2 2,-0.4 -4,-0.1 -4,-0.1 0.609 105.2 111.8 65.5 18.0 23.1 40.4 9.7 63 63 A I < - 0 0 8 -3,-2.0 -6,-2.1 -6,-0.2 2,-0.3 -0.943 44.4-168.7-126.1 141.5 22.0 38.9 13.0 64 64 A N E - G 0 56B 25 -2,-0.4 2,-0.7 -8,-0.2 -18,-0.6 -0.825 31.1-114.0-125.8 160.3 22.6 40.2 16.5 65 65 A R E -fG 46 55B 30 -10,-3.1 -10,-2.0 -2,-0.3 2,-0.3 -0.846 46.6-167.3 -84.6 114.9 22.4 39.4 20.2 66 66 A I E -fG 47 54B 3 -20,-2.2 -18,-2.9 -2,-0.7 -12,-0.3 -0.806 14.1-145.4-110.8 144.5 19.6 41.7 21.5 67 67 A G >> - 0 0 0 -14,-2.4 3,-1.3 -2,-0.3 4,-0.8 -0.628 35.3-100.8-103.6 168.7 18.5 42.7 25.0 68 68 A V H 3> S+ 0 0 27 -20,-0.4 4,-0.7 1,-0.3 3,-0.5 0.800 118.9 57.9 -65.5 -30.9 15.0 43.5 26.1 69 69 A N H 34 S+ 0 0 104 -18,-1.2 -1,-0.3 1,-0.2 4,-0.3 0.744 112.8 41.4 -70.1 -22.0 15.4 47.3 26.0 70 70 A R H <> S+ 0 0 120 -3,-1.3 4,-1.0 -19,-0.6 -1,-0.2 0.536 95.8 81.6 -99.9 -5.2 16.3 47.1 22.3 71 71 A L H X S+ 0 0 0 -4,-0.8 4,-3.1 -3,-0.5 5,-0.4 0.879 82.8 58.9 -68.0 -43.5 13.8 44.4 21.2 72 72 A K H X S+ 0 0 67 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.908 108.8 44.3 -54.7 -45.8 10.7 46.7 20.8 73 73 A D H 4 S+ 0 0 125 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.766 116.4 48.7 -73.0 -26.6 12.5 48.9 18.1 74 74 A Y H X S+ 0 0 44 -4,-1.0 4,-0.8 -3,-0.2 -2,-0.2 0.931 116.7 38.7 -74.1 -48.8 13.8 45.7 16.4 75 75 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.731 99.4 77.3 -78.9 -25.3 10.5 43.8 16.3 76 76 A K H X S+ 0 0 105 -4,-1.9 4,-1.9 -5,-0.4 -1,-0.2 0.933 99.1 39.8 -56.3 -51.2 8.3 46.7 15.5 77 77 A P H > S+ 0 0 64 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.914 115.2 54.9 -64.8 -37.8 9.2 47.0 11.8 78 78 A L H ><>S+ 0 0 17 -4,-0.8 5,-2.3 1,-0.2 3,-0.7 0.932 108.5 46.2 -59.7 -49.8 9.2 43.2 11.5 79 79 A V H ><5S+ 0 0 52 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.901 109.2 56.6 -61.0 -37.2 5.7 42.8 12.8 80 80 A A H 3<5S+ 0 0 89 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.768 104.1 52.7 -67.3 -24.0 4.5 45.6 10.6 81 81 A K T <<5S- 0 0 83 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.419 133.8 -89.0 -91.0 1.6 5.8 43.7 7.5 82 82 A G T < 5 + 0 0 25 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.504 65.4 162.7 112.1 4.8 3.9 40.7 8.6 83 83 A L < + 0 0 4 -5,-2.3 -1,-0.2 1,-0.2 -44,-0.1 -0.334 6.3 173.7 -61.6 128.4 6.1 38.7 10.9 84 84 A R + 0 0 130 -43,-0.4 43,-2.7 -46,-0.4 2,-0.3 0.608 54.4 38.7-109.8 -16.1 3.8 36.3 12.9 85 85 A S E - h 0 127B 10 -44,-0.4 -42,-2.3 41,-0.2 2,-0.3 -0.999 49.9-173.5-149.3 142.2 6.3 34.1 14.8 86 86 A V E -eh 43 128B 0 41,-2.0 43,-3.2 -2,-0.3 2,-0.5 -0.949 14.4-149.2-129.6 148.0 9.6 34.1 16.7 87 87 A I E -eh 44 129B 0 -44,-1.6 -42,-2.2 -2,-0.3 2,-0.3 -0.982 24.4-143.4-118.5 112.9 11.7 31.4 18.2 88 88 A L E +eh 45 130B 1 41,-3.5 43,-2.0 -2,-0.5 2,-0.4 -0.610 21.0 177.6 -86.8 134.6 13.6 32.5 21.3 89 89 A F E -e 46 0B 2 -44,-2.2 -42,-2.8 -2,-0.3 2,-0.4 -1.000 21.0-141.5-124.5 131.3 17.1 31.5 22.4 90 90 A G E -e 47 0B 0 -2,-0.4 -42,-0.2 -44,-0.2 -44,-0.0 -0.772 12.7-170.1 -97.3 144.7 18.7 33.0 25.5 91 91 A V E -e 48 0B 2 -44,-3.5 -42,-1.0 -2,-0.4 2,-0.5 -0.767 9.4-172.0-129.1 83.1 22.3 34.0 25.7 92 92 A P + 0 0 7 0, 0.0 6,-0.1 0, 0.0 5,-0.1 -0.648 11.8 170.7 -82.1 121.5 23.1 34.8 29.4 93 93 A L + 0 0 79 -2,-0.5 3,-0.1 2,-0.1 4,-0.1 0.642 37.1 115.9-107.3 -17.0 26.6 36.2 29.7 94 94 A I S > S- 0 0 101 1,-0.1 3,-0.8 2,-0.1 -44,-0.0 -0.367 76.1-108.5 -55.6 123.4 26.6 37.4 33.3 95 95 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.091 98.1 32.4 -57.5 150.7 29.2 35.2 35.0 96 96 A G T 3 S+ 0 0 87 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.587 86.7 108.0 78.5 10.0 28.3 32.4 37.4 97 97 A T < + 0 0 31 -3,-0.8 7,-0.4 -5,-0.1 2,-0.1 0.944 58.5 77.7 -76.5 -55.8 25.1 31.7 35.5 98 98 A K + 0 0 80 40,-0.1 40,-0.2 -6,-0.1 41,-0.1 -0.278 57.0 165.0 -63.2 129.8 26.1 28.4 34.0 99 99 A D > - 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