==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUN-01 1IQ6 . COMPND 2 MOLECULE: (R)-SPECIFIC ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS PUNCTATA; . AUTHOR T.HISANO,T.TSUGE,T.FUKUI,T.IWATA,Y.DOI . 265 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 71.7 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 . 86 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 0 0 0 0 2 0 0 2 0 0 0 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 2 0 2 1 0 2 2 2 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 1 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 2 A A 0 0 104 0, 0.0 4,-0.1 0, 0.0 102,-0.0 0.000 360.0 360.0 360.0 -98.8 45.0 19.5 1.1 2 3 A Q - 0 0 109 2,-0.2 0, 0.0 0, 0.0 0, 0.0 0.229 360.0 -46.0-109.3-130.1 44.6 23.1 -0.3 3 4 A S S S+ 0 0 105 2,-0.0 2,-0.3 -2,-0.0 0, 0.0 0.585 109.9 99.3 -84.1 -12.4 43.7 26.3 1.5 4 5 A L + 0 0 11 4,-0.0 2,-0.3 65,-0.0 -2,-0.2 -0.596 54.3 166.9 -76.8 133.7 40.9 24.5 3.3 5 6 A E > - 0 0 119 -2,-0.3 3,-2.0 -4,-0.1 93,-0.3 -0.988 41.6 -77.5-150.7 158.5 41.8 23.5 6.8 6 7 A V T 3 S+ 0 0 91 -2,-0.3 93,-0.2 1,-0.2 3,-0.1 -0.229 112.8 30.9 -53.0 133.2 40.5 22.2 10.1 7 8 A G T 3 S+ 0 0 37 91,-2.7 -1,-0.2 1,-0.4 92,-0.1 0.085 80.5 132.0 105.1 -25.1 38.9 25.0 12.1 8 9 A Q < - 0 0 56 -3,-2.0 90,-2.7 89,-0.1 -1,-0.4 -0.399 36.4-171.3 -63.9 137.2 37.6 27.1 9.3 9 10 A K E -A 97 0A 116 88,-0.2 2,-0.3 -3,-0.1 88,-0.2 -0.895 16.7-173.7-130.8 159.1 33.9 28.0 9.8 10 11 A A E +A 96 0A 9 86,-1.9 86,-2.5 -2,-0.3 2,-0.3 -0.984 12.3 175.3-149.8 143.9 31.1 29.6 7.8 11 12 A R E -A 95 0A 134 -2,-0.3 2,-0.3 84,-0.2 84,-0.2 -0.941 12.5-173.7-147.3 170.1 27.7 30.7 8.9 12 13 A L E -A 94 0A 29 82,-2.0 82,-2.8 -2,-0.3 2,-0.4 -0.965 15.8-139.1-157.1 162.3 24.5 32.4 7.9 13 14 A S E +A 93 0A 62 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.979 22.6 172.3-129.5 142.0 21.2 33.4 9.5 14 15 A K E -A 92 0A 25 78,-1.8 78,-1.8 -2,-0.4 2,-0.7 -0.983 25.5-148.8-153.8 141.2 17.8 33.1 8.0 15 16 A R E -A 91 0A 124 -2,-0.3 2,-0.5 76,-0.2 76,-0.2 -0.913 21.1-150.9-111.3 101.5 14.2 33.6 9.2 16 17 A F - 0 0 2 -2,-0.7 73,-2.4 74,-0.7 74,-0.3 -0.635 17.7-164.8 -76.7 120.1 11.9 31.2 7.3 17 18 A G > - 0 0 21 -2,-0.5 4,-2.3 71,-0.2 5,-0.2 -0.362 36.5 -88.2 -96.7 180.0 8.4 32.7 7.0 18 19 A A H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 124.0 51.8 -55.2 -45.3 5.1 31.2 6.0 19 20 A A H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 111.3 47.3 -61.6 -41.3 5.5 31.7 2.3 20 21 A E H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 111.3 50.3 -67.9 -40.3 8.9 30.0 2.3 21 22 A V H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.886 111.0 49.9 -65.0 -37.8 7.7 27.1 4.4 22 23 A A H X S+ 0 0 48 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.886 109.1 52.2 -66.9 -38.1 4.7 26.7 2.0 23 24 A A H X S+ 0 0 43 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.901 110.4 47.6 -64.9 -40.4 7.2 26.7 -1.0 24 25 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 6,-0.4 0.867 106.4 57.9 -68.6 -35.8 9.2 24.0 0.7 25 26 A A H X>S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 5,-0.7 0.917 106.8 49.2 -60.0 -41.2 6.1 21.9 1.3 26 27 A A H <5S+ 0 0 50 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.895 114.1 44.7 -65.4 -40.1 5.4 22.0 -2.4 27 28 A L H <5S+ 0 0 10 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.929 122.2 36.2 -68.7 -45.9 8.9 20.9 -3.3 28 29 A S H <5S- 0 0 0 -4,-3.0 168,-0.6 2,-0.1 -2,-0.2 0.607 100.1-128.6 -82.7 -16.5 9.1 18.1 -0.6 29 30 A E T <5 + 0 0 66 -4,-1.9 2,-1.0 -5,-0.3 -3,-0.2 0.650 66.9 134.4 71.8 16.3 5.5 17.0 -0.9 30 31 A D < + 0 0 6 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.1 -0.802 22.6 166.7-100.2 95.0 5.3 17.4 2.9 31 32 A F + 0 0 91 -2,-1.0 -1,-0.1 165,-0.2 5,-0.1 -0.164 10.3 162.2-101.5 38.9 2.1 19.3 3.5 32 33 A N >> - 0 0 13 1,-0.2 3,-1.9 2,-0.1 4,-1.1 -0.380 39.4-140.9 -59.8 126.2 1.9 18.8 7.3 33 34 A P H 3> S+ 0 0 34 0, 0.0 4,-3.7 0, 0.0 8,-0.4 0.762 99.0 73.0 -62.0 -21.1 -0.6 21.3 8.7 34 35 A L H 34 S+ 0 0 15 1,-0.2 16,-1.7 2,-0.2 -2,-0.1 0.776 104.7 38.1 -62.5 -25.8 1.8 21.6 11.7 35 36 A H H <4 S+ 0 0 20 -3,-1.9 -1,-0.2 14,-0.3 17,-0.1 0.679 132.3 25.5 -95.7 -22.4 4.2 23.5 9.4 36 37 A L H < S+ 0 0 68 -4,-1.1 -2,-0.2 1,-0.1 -14,-0.1 0.677 104.6 70.5-117.3 -22.4 1.4 25.5 7.5 37 38 A D X - 0 0 67 -4,-3.7 4,-2.9 -5,-0.2 5,-0.2 -0.856 46.1-171.3-111.8 107.3 -1.7 25.9 9.6 38 39 A P H > S+ 0 0 88 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.872 91.9 52.5 -57.2 -39.7 -1.8 28.2 12.6 39 40 A A H 4 S+ 0 0 73 2,-0.2 4,-0.4 1,-0.2 3,-0.0 0.922 113.2 43.1 -63.6 -45.3 -5.2 27.0 13.7 40 41 A F H >4 S+ 0 0 69 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.942 109.6 56.6 -65.3 -48.5 -4.1 23.4 13.6 41 42 A A H >< S+ 0 0 0 -4,-2.9 3,-1.8 -8,-0.4 6,-0.8 0.825 97.4 64.8 -52.7 -34.6 -0.8 24.1 15.3 42 43 A A T 3< S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.688 95.5 57.8 -64.6 -19.4 -2.7 25.6 18.2 43 44 A T T < S+ 0 0 109 -3,-2.2 -1,-0.3 -4,-0.4 2,-0.2 0.434 101.1 71.9 -91.0 0.5 -4.3 22.2 19.0 44 45 A T S X S- 0 0 38 -3,-1.8 3,-1.2 -4,-0.3 -3,-0.0 -0.652 95.5-105.6-111.2 169.4 -0.8 20.6 19.5 45 46 A A T 3 S+ 0 0 102 1,-0.3 -3,-0.1 -2,-0.2 -1,-0.1 0.713 118.9 64.2 -65.9 -20.1 1.8 20.9 22.1 46 47 A F T 3 S- 0 0 51 -5,-0.2 2,-1.4 1,-0.1 -1,-0.3 0.765 84.9-162.9 -73.8 -24.6 3.9 23.0 19.7 47 48 A E < + 0 0 141 -3,-1.2 -1,-0.1 -6,-0.8 -2,-0.1 0.027 65.6 44.5 67.6 -31.1 1.1 25.6 19.9 48 49 A R S S- 0 0 129 -2,-1.4 -9,-0.0 -7,-0.2 -11,-0.0 -0.955 101.0 -78.9-139.7 158.5 2.4 27.3 16.7 49 50 A P - 0 0 20 0, 0.0 39,-2.3 0, 0.0 2,-0.3 -0.253 45.2-153.4 -58.4 140.5 3.6 26.2 13.2 50 51 A I B -L 87 0B 18 -16,-1.7 37,-0.3 37,-0.3 2,-0.2 -0.832 19.2-103.2-116.7 155.5 7.2 24.8 13.1 51 52 A V - 0 0 6 35,-3.3 35,-0.4 -2,-0.3 -15,-0.1 -0.516 43.0 -97.9 -78.1 141.2 9.7 24.8 10.2 52 53 A H >> - 0 0 0 -2,-0.2 4,-2.0 1,-0.2 3,-0.9 -0.327 27.5-132.3 -55.0 133.7 10.3 21.5 8.3 53 54 A G H 3> S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.888 108.4 52.2 -57.1 -37.5 13.5 19.9 9.7 54 55 A M H 3> S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.704 103.7 55.9 -73.6 -19.3 14.7 19.4 6.1 55 56 A L H <> S+ 0 0 0 -3,-0.9 4,-0.5 2,-0.2 -1,-0.2 0.896 109.4 47.4 -76.1 -39.6 14.1 23.1 5.3 56 57 A L H >< S+ 0 0 4 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.947 111.6 51.1 -62.0 -46.9 16.4 23.9 8.2 57 58 A A H >X S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 4,-0.6 0.743 92.8 74.5 -62.9 -24.9 18.9 21.4 7.0 58 59 A S H >X S+ 0 0 0 -4,-1.0 4,-1.4 1,-0.3 3,-1.0 0.788 81.8 71.3 -59.9 -26.5 18.8 22.8 3.4 59 60 A L H S+ 0 0 0 -3,-1.8 4,-2.8 -4,-0.3 5,-0.3 0.868 99.8 52.7 -65.5 -34.7 23.9 23.3 5.1 61 62 A S H S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-1.9 0.935 118.8 41.2 -68.0 -46.4 26.9 26.9 3.3 64 65 A L H <5S+ 0 0 5 -4,-2.8 6,-2.5 3,-0.2 9,-0.2 0.895 120.7 42.6 -70.1 -39.6 28.8 24.1 1.7 65 66 A G H <5S+ 0 0 3 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.708 128.3 25.2 -81.7 -21.1 27.9 25.1 -1.9 66 67 A Q H <5S+ 0 0 83 -4,-1.6 5,-0.2 -5,-0.3 -3,-0.2 0.567 134.0 15.4-119.4 -12.1 28.4 28.9 -1.6 67 68 A Q T <5S+ 0 0 92 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.640 110.9 44.4-124.3 -71.5 30.9 29.4 1.3 68 69 A L S + 0 0 5 -6,-2.5 3,-2.2 -7,-0.2 -4,-0.2 -0.471 39.3 16.2 96.3-166.0 32.0 26.7 -1.9 71 72 A K T 3 S+ 0 0 128 1,-0.3 3,-0.1 -5,-0.2 -5,-0.1 -0.097 123.5 28.3 -47.3 134.6 31.3 26.5 -5.6 72 73 A G T 3 S+ 0 0 16 1,-0.4 -1,-0.3 -7,-0.1 -7,-0.1 0.179 88.0 132.3 97.9 -17.7 32.3 23.2 -7.1 73 74 A S < - 0 0 8 -3,-2.2 2,-0.4 -9,-0.2 -1,-0.4 -0.334 41.5-154.8 -67.1 149.8 31.8 21.2 -3.9 74 75 A I E -B 130 0A 41 56,-1.8 56,-3.0 -3,-0.1 2,-0.1 -0.994 15.7-120.5-133.1 128.9 29.8 18.0 -4.1 75 76 A Y E +B 129 0A 26 -2,-0.4 54,-0.2 54,-0.2 3,-0.1 -0.416 32.4 167.0 -66.1 135.4 27.9 16.3 -1.3 76 77 A L E - 0 0 59 52,-2.7 140,-2.2 1,-0.4 2,-0.3 0.638 67.9 -10.4-115.0 -37.5 29.0 12.8 -0.4 77 78 A G E -BC 128 215A 11 51,-2.1 51,-2.5 138,-0.2 -1,-0.4 -0.993 50.3-170.6-161.2 157.9 27.1 12.4 2.9 78 79 A Q E -BC 127 214A 4 136,-2.3 136,-1.8 -2,-0.3 2,-0.4 -0.925 8.5-160.0-154.6 125.5 25.1 14.3 5.5 79 80 A S E - C 0 213A 44 47,-2.5 2,-0.4 -2,-0.3 47,-0.2 -0.862 13.6-165.4-107.0 144.3 23.9 13.1 8.9 80 81 A L E - C 0 212A 5 132,-1.7 132,-2.3 -2,-0.4 2,-0.5 -0.985 16.4-178.0-138.8 129.6 21.0 14.9 10.7 81 82 A S E -DC 124 211A 45 43,-2.3 43,-2.0 -2,-0.4 2,-0.8 -0.989 17.8-151.4-123.2 119.1 19.6 14.8 14.2 82 83 A F E +D 123 0A 27 128,-2.1 41,-0.2 -2,-0.5 40,-0.1 -0.836 27.9 159.7 -95.0 112.4 16.6 17.0 14.9 83 84 A K + 0 0 122 39,-2.8 39,-0.2 -2,-0.8 40,-0.2 0.847 55.8 21.3-100.6 -45.5 16.6 18.1 18.5 84 85 A L S S- 0 0 75 38,-1.2 -1,-0.2 36,-0.1 2,-0.2 -0.929 75.6-109.2-130.4 153.7 14.4 21.2 18.9 85 86 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -33,-0.1 -0.506 21.9-150.2 -80.3 149.2 11.5 22.7 17.0 86 87 A V - 0 0 7 -35,-0.4 -35,-3.3 -2,-0.2 2,-0.3 -0.989 18.4-134.7-118.3 120.9 12.0 26.0 15.1 87 88 A F B > -L 50 0B 49 -2,-0.5 3,-2.3 -37,-0.3 -37,-0.3 -0.569 26.0-102.9 -80.4 138.3 8.9 28.1 15.0 88 89 A V T 3 S+ 0 0 31 -39,-2.3 -71,-0.2 -2,-0.3 3,-0.1 -0.333 110.7 32.2 -56.4 133.9 7.9 29.7 11.7 89 90 A G T 3 S+ 0 0 31 -73,-2.4 2,-0.3 1,-0.4 -1,-0.3 0.227 96.4 109.8 100.0 -14.5 8.8 33.3 11.8 90 91 A D < - 0 0 42 -3,-2.3 -74,-0.7 -74,-0.3 -1,-0.4 -0.719 66.6-122.9 -96.4 147.2 11.8 32.8 14.0 91 92 A E E -A 15 0A 71 -2,-0.3 26,-0.3 -76,-0.2 2,-0.3 -0.511 24.8-166.8 -86.4 153.9 15.4 33.2 12.8 92 93 A V E -A 14 0A 2 -78,-1.8 -78,-1.8 -2,-0.2 2,-0.5 -0.919 15.8-133.1-134.5 162.4 18.0 30.5 13.1 93 94 A T E -AE 13 115A 26 22,-2.0 22,-2.8 -2,-0.3 2,-0.4 -0.985 17.8-162.4-121.9 123.0 21.8 30.4 12.7 94 95 A A E +AE 12 114A 0 -82,-2.8 -82,-2.0 -2,-0.5 2,-0.3 -0.861 13.0 177.1-105.1 138.7 23.4 27.8 10.5 95 96 A E E -AE 11 113A 11 18,-2.5 18,-2.7 -2,-0.4 2,-0.4 -1.000 16.4-166.1-145.4 141.9 27.1 27.0 10.8 96 97 A V E -AE 10 112A 0 -86,-2.5 -86,-1.9 -2,-0.3 2,-0.4 -0.957 8.9-171.3-123.3 145.0 29.6 24.5 9.3 97 98 A E E -AE 9 111A 51 14,-1.7 14,-2.6 -2,-0.4 2,-0.3 -0.988 26.3-121.4-139.8 128.0 33.1 23.9 10.7 98 99 A V E + E 0 110A 1 -90,-2.7 -91,-2.7 -2,-0.4 12,-0.3 -0.521 35.3 167.1 -69.0 123.5 35.8 21.8 9.0 99 100 A T E + 0 0 52 10,-2.8 2,-0.3 -2,-0.3 11,-0.2 0.589 60.7 8.9-112.2 -17.5 36.8 19.0 11.4 100 101 A A E - 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