==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHYDRATASE 01-AUG-01 1GJP . COMPND 2 MOLECULE: 5-AMINOLAEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.T.ERSKINE,L.COATES,R.NEWBOLD,A.A.BRINDLEY,S.P.WOOD, . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.4 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.8 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 2 0 0 1 0 0 1 1 3 1 1 0 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 . 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 0 220 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.7 31.7 16.9 -45.3 2 2 A H - 0 0 182 3,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.763 360.0-171.1 -77.2 114.5 30.4 15.9 -41.8 3 3 A T - 0 0 103 -2,-0.7 2,-0.5 1,-0.0 0, 0.0 -0.766 31.3 -92.1-109.7 160.2 26.7 16.8 -42.1 4 4 A A - 0 0 75 -2,-0.3 2,-0.3 1,-0.0 -1,-0.0 -0.601 43.7-148.8 -71.8 114.1 24.0 16.9 -39.4 5 5 A E - 0 0 164 -2,-0.5 2,-0.4 0, 0.0 -1,-0.0 -0.674 11.4-166.6 -94.0 146.1 22.3 13.5 -39.2 6 6 A F - 0 0 181 -2,-0.3 2,-0.2 3,-0.0 3,-0.0 -0.995 13.1-140.0-132.4 118.5 18.6 13.1 -38.2 7 7 A L - 0 0 135 -2,-0.4 2,-0.3 1,-0.1 0, 0.0 -0.520 26.2-107.2 -83.8 152.1 17.1 9.7 -37.4 8 8 A E - 0 0 198 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.585 46.0-166.1 -68.5 132.0 13.6 8.8 -38.5 9 9 A T - 0 0 122 -2,-0.3 3,-0.1 1,-0.0 -3,-0.0 -0.878 19.4-107.7-128.8 164.5 11.3 8.8 -35.5 10 10 A E - 0 0 159 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.312 51.8 -82.1 -74.2 157.1 7.8 7.7 -34.5 11 11 A P - 0 0 118 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.225 65.0 -82.9 -56.0 156.2 4.9 10.0 -34.0 12 12 A T - 0 0 116 -3,-0.1 2,-0.4 1,-0.1 3,-0.1 -0.446 39.5-133.2 -65.9 132.0 4.9 11.7 -30.6 13 13 A E > - 0 0 120 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.694 9.8-137.1 -81.4 136.2 3.4 9.6 -27.8 14 14 A I G > S+ 0 0 159 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.936 103.5 65.9 -59.8 -41.2 1.0 11.7 -25.7 15 15 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.657 95.9 58.8 -52.2 -21.0 2.5 10.1 -22.6 16 16 A S G < S+ 0 0 85 -3,-1.8 2,-0.8 1,-0.1 -1,-0.3 0.676 84.8 94.2 -79.2 -20.5 5.8 11.9 -23.4 17 17 A V < + 0 0 89 -3,-2.4 -1,-0.1 -4,-0.4 -3,-0.0 -0.710 29.5 139.3 -96.9 105.3 4.4 15.4 -23.4 18 18 A L > + 0 0 130 -2,-0.8 3,-2.7 2,-0.1 4,-0.2 0.616 50.8 86.8-107.4 -27.8 4.7 17.4 -20.1 19 19 A A G > S+ 0 0 59 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.697 72.3 78.5 -61.0 -19.2 5.7 20.9 -21.2 20 20 A G G 3 S+ 0 0 57 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.801 92.1 56.3 -55.9 -24.2 2.0 21.8 -21.6 21 21 A G G < S+ 0 0 23 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.570 115.4 27.3 -88.3 -10.2 2.1 22.1 -17.8 22 22 A Y S < S+ 0 0 126 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.1 -0.124 76.3 112.6-144.8 50.9 4.8 24.7 -17.3 23 23 A N S S+ 0 0 108 -3,-0.3 -3,-0.1 -4,-0.2 -2,-0.1 0.553 73.5 55.8 -93.1 -12.7 5.2 27.0 -20.3 24 24 A H S >> S- 0 0 98 1,-0.1 3,-1.9 -3,-0.1 4,-0.8 -0.933 85.3-116.1-125.1 143.3 4.0 30.3 -18.6 25 25 A P T >4 S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.820 115.4 51.5 -43.8 -46.5 5.1 32.2 -15.5 26 26 A L T 3> S+ 0 0 88 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.688 102.5 61.9 -69.3 -17.7 1.8 31.6 -13.7 27 27 A L H <> S+ 0 0 27 -3,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.752 93.2 60.7 -78.9 -23.4 2.0 27.9 -14.4 28 28 A R H << S+ 0 0 142 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.634 108.2 47.3 -80.7 -7.0 5.2 27.5 -12.4 29 29 A Q H >4 S+ 0 0 101 -3,-0.4 3,-0.8 -4,-0.3 -2,-0.2 0.711 108.5 53.4 -90.0 -37.0 3.1 28.7 -9.5 30 30 A W H 3< S+ 0 0 183 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.773 103.9 59.0 -61.8 -34.1 0.3 26.3 -10.4 31 31 A Q T 3< S+ 0 0 119 -4,-1.6 2,-0.4 -10,-0.1 -1,-0.2 0.525 85.1 97.9 -81.7 -5.8 2.9 23.5 -10.3 32 32 A S < - 0 0 46 -3,-0.8 3,-0.2 1,-0.1 -3,-0.0 -0.645 63.5-150.9 -91.3 136.7 3.8 24.1 -6.6 33 33 A E S S+ 0 0 145 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.800 88.1 12.8 -76.0 -23.7 2.3 22.0 -3.9 34 34 A R S S- 0 0 83 282,-0.1 2,-0.4 -3,-0.0 -1,-0.3 -0.970 74.6-140.4-148.0 137.5 2.6 24.9 -1.5 35 35 A Q - 0 0 112 -2,-0.3 2,-0.4 -3,-0.2 -6,-0.0 -0.792 29.4-106.6 -99.8 143.5 3.3 28.6 -2.1 36 36 A L + 0 0 29 -2,-0.4 2,-0.3 2,-0.0 280,-0.0 -0.522 44.2 175.8 -70.3 120.1 5.6 30.7 0.2 37 37 A T > - 0 0 66 -2,-0.4 3,-1.1 1,-0.0 4,-0.2 -0.786 40.3-110.8-120.4 164.7 3.6 33.1 2.4 38 38 A K G > S+ 0 0 42 -2,-0.3 3,-1.2 1,-0.3 46,-0.4 0.761 111.3 60.1 -67.8 -34.9 4.7 35.5 5.2 39 39 A N G 3 S+ 0 0 95 1,-0.2 -1,-0.3 44,-0.1 43,-0.0 0.444 93.4 69.7 -79.2 2.3 3.0 33.7 8.1 40 40 A M G < S+ 0 0 21 -3,-1.1 286,-2.6 285,-0.1 2,-0.4 0.599 82.4 96.1 -82.8 -19.1 5.1 30.6 7.3 41 41 A L E < -a 326 0A 0 -3,-1.2 43,-0.6 -4,-0.2 44,-0.5 -0.655 51.2-173.5 -87.7 128.6 8.2 32.5 8.5 42 42 A I E -a 327 0A 8 284,-2.5 286,-2.1 -2,-0.4 44,-0.2 -0.990 11.5-155.5-120.4 121.2 9.7 32.2 12.0 43 43 A F E -e 86 0B 1 42,-2.2 44,-1.4 -2,-0.4 2,-0.2 -0.857 12.8-132.2-102.5 121.8 12.5 34.5 12.9 44 44 A P E -e 87 0B 3 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.475 18.0-161.4 -70.0 140.6 15.0 33.5 15.6 45 45 A L E -e 88 0B 2 42,-2.5 44,-2.4 -2,-0.2 2,-0.7 -0.986 8.4-151.5-119.9 127.6 15.9 36.1 18.3 46 46 A F E -ef 89 65B 2 18,-0.6 20,-2.8 -2,-0.4 2,-0.6 -0.891 16.8-159.4-103.3 110.6 19.0 35.8 20.5 47 47 A I E -ef 90 66B 0 42,-2.9 44,-3.6 -2,-0.7 20,-0.2 -0.786 1.7-156.8 -95.4 122.1 18.3 37.5 23.8 48 48 A S E -e 91 0B 0 18,-1.3 20,-0.4 -2,-0.6 5,-0.1 -0.557 23.7-128.1 -86.8 156.1 21.2 38.7 26.0 49 49 A D S S+ 0 0 31 42,-1.0 -1,-0.1 -2,-0.2 3,-0.1 0.651 95.8 86.2 -82.9 -11.0 21.0 39.2 29.7 50 50 A N S > S- 0 0 78 1,-0.2 3,-2.1 2,-0.0 -2,-0.2 -0.792 74.8-156.3 -80.1 105.1 22.5 42.7 29.1 51 51 A P T 3 S+ 0 0 51 0, 0.0 18,-1.6 0, 0.0 19,-0.4 0.671 89.0 52.6 -63.0 -19.3 19.2 44.5 28.4 52 52 A D T 3 S+ 0 0 104 17,-0.1 -3,-0.1 16,-0.1 -2,-0.0 0.200 87.0 136.0-100.0 19.2 20.9 47.3 26.4 53 53 A D < + 0 0 15 -3,-2.1 14,-1.6 -5,-0.1 17,-0.1 -0.293 18.6 152.3 -71.7 151.7 22.7 44.7 24.2 54 54 A F E +G 66 0B 81 12,-0.2 2,-0.4 2,-0.0 12,-0.2 -0.334 21.3 160.9-175.1 80.3 23.0 44.8 20.4 55 55 A T E -G 65 0B 55 10,-1.8 10,-2.8 -2,-0.0 2,-0.1 -0.952 40.0-119.7-117.4 126.0 26.1 43.0 19.4 56 56 A E E -G 64 0B 158 -2,-0.4 2,-1.0 8,-0.2 8,-0.2 -0.428 23.8-129.9 -60.2 130.1 26.9 41.6 15.9 57 57 A I > - 0 0 4 6,-2.4 3,-4.1 3,-0.5 6,-0.3 -0.801 20.3-136.8 -94.7 101.0 27.4 37.8 15.9 58 58 A D T 3 S+ 0 0 149 -2,-1.0 -1,-0.2 1,-0.3 164,-0.1 0.565 97.1 30.7 -16.7 -62.0 30.7 37.4 14.0 59 59 A S T 3 S+ 0 0 37 159,-0.2 -1,-0.3 1,-0.2 160,-0.1 0.128 105.0 79.9 -97.7 13.1 29.7 34.5 11.8 60 60 A L S X S- 0 0 2 -3,-4.1 3,-2.4 3,-0.2 -3,-0.5 -0.720 81.0-138.1-126.9 80.7 26.0 35.3 11.6 61 61 A P T 3 S- 0 0 38 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.039 80.5 -5.8 -38.2 129.0 25.6 38.1 8.9 62 62 A N T 3 S+ 0 0 118 1,-0.2 2,-0.4 0, 0.0 -6,-0.0 0.620 108.9 114.8 56.4 15.9 23.2 40.8 9.8 63 63 A I < - 0 0 8 -3,-2.4 -6,-2.4 -6,-0.3 2,-0.2 -0.938 43.5-178.1-117.3 136.5 22.1 38.9 13.0 64 64 A N E - G 0 56B 25 -2,-0.4 -18,-0.6 -8,-0.2 2,-0.5 -0.768 33.1-109.7-129.6 174.7 22.7 40.2 16.5 65 65 A R E -fG 46 55B 31 -10,-2.8 -10,-1.8 -2,-0.2 2,-0.4 -0.927 43.6-171.3-102.3 122.2 22.4 39.5 20.2 66 66 A I E -fG 47 54B 2 -20,-2.8 -18,-1.3 -2,-0.5 -12,-0.2 -0.930 15.9-144.9-125.7 136.0 19.8 41.9 21.7 67 67 A G >> - 0 0 0 -14,-1.6 3,-2.2 -2,-0.4 4,-0.5 -0.556 39.3 -94.3 -94.6 167.4 18.7 42.8 25.2 68 68 A V H >> S+ 0 0 29 -20,-0.4 3,-0.6 1,-0.3 4,-0.5 0.715 119.7 55.7 -48.9 -36.5 15.1 43.6 26.3 69 69 A N H 34 S+ 0 0 100 -18,-1.6 -1,-0.3 1,-0.2 -17,-0.1 0.471 110.7 45.9 -86.3 3.6 15.4 47.4 26.0 70 70 A R H <> S+ 0 0 94 -3,-2.2 4,-0.8 -19,-0.4 -1,-0.2 0.419 93.4 84.4-114.8 -5.1 16.5 47.1 22.4 71 71 A L H >>S+ 0 0 11 -4,-0.4 5,-2.7 2,-0.2 3,-1.2 0.930 108.3 48.0 -67.1 -50.3 9.2 43.5 11.2 79 79 A V H 3<5S+ 0 0 45 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.852 112.5 51.3 -59.3 -33.1 5.8 43.0 12.8 80 80 A A T 3<5S+ 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.577 108.2 52.4 -82.1 -9.9 4.5 45.9 10.6 81 81 A K T <45S- 0 0 53 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.472 135.0 -85.2 -95.5 -10.6 6.0 44.1 7.5 82 82 A G T <5 + 0 0 25 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.419 68.9 158.3 119.9 2.8 4.1 40.9 8.4 83 83 A L < + 0 0 5 -5,-2.7 -1,-0.3 1,-0.2 -44,-0.1 -0.377 7.6 171.7 -58.7 133.1 6.3 38.9 10.9 84 84 A R + 0 0 125 -43,-0.6 43,-2.3 -46,-0.4 2,-0.3 0.534 53.8 34.5-118.6 -14.4 4.0 36.5 12.8 85 85 A S E - h 0 127B 9 -44,-0.5 -42,-2.2 41,-0.2 2,-0.3 -1.000 51.1-168.8-152.1 144.7 6.4 34.3 14.9 86 86 A V E -eh 43 128B 0 41,-2.3 43,-3.0 -2,-0.3 2,-0.5 -0.941 12.8-149.0-128.3 151.5 9.7 34.3 16.8 87 87 A I E -eh 44 129B 0 -44,-1.4 -42,-2.5 -2,-0.3 2,-0.4 -0.993 24.5-142.0-119.8 121.5 11.9 31.6 18.2 88 88 A L E +eh 45 130B 1 41,-3.3 43,-1.9 -2,-0.5 2,-0.4 -0.716 20.7 179.5 -96.9 132.5 13.8 32.6 21.3 89 89 A F E -e 46 0B 4 -44,-2.4 -42,-2.9 -2,-0.4 2,-0.3 -0.999 21.1-143.0-121.0 123.5 17.3 31.6 22.3 90 90 A G E -e 47 0B 0 -2,-0.4 -42,-0.2 -44,-0.2 -44,-0.0 -0.660 11.9-169.0 -87.1 142.9 18.7 33.1 25.6 91 91 A V E -e 48 0B 2 -44,-3.6 -42,-1.0 -2,-0.3 2,-0.4 -0.614 6.8-171.8-129.4 76.1 22.3 34.1 25.8 92 92 A P + 0 0 6 0, 0.0 -44,-0.1 0, 0.0 5,-0.0 -0.551 10.5 171.7 -71.2 120.0 23.1 34.7 29.5 93 93 A L + 0 0 80 -2,-0.4 3,-0.1 2,-0.1 5,-0.1 0.487 35.6 117.5-106.9 -6.7 26.6 36.3 29.7 94 94 A I S > S- 0 0 93 1,-0.1 3,-1.5 2,-0.1 4,-0.2 -0.417 72.7-110.2 -64.1 132.8 26.7 37.2 33.4 95 95 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.262 101.7 28.3 -60.0 148.8 29.4 35.3 35.2 96 96 A G T 3 S+ 0 0 82 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.372 91.1 106.7 81.3 -4.8 28.2 32.7 37.7 97 97 A T < + 0 0 35 -3,-1.5 7,-0.6 6,-0.0 2,-0.3 0.706 61.7 73.3 -83.6 -22.1 25.1 32.1 35.7 98 98 A K + 0 0 78 -4,-0.2 40,-0.2 5,-0.1 39,-0.1 -0.672 59.9 161.5 -89.9 151.7 26.0 28.7 34.2 99 99 A D > - 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