==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-13 4K02 . COMPND 2 MOLECULE: 1,4-DIHYDROXY-2-NAPHTHOYL-COA THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR F.FURT,W.J.ALLEN,J.R.WIDHALM,P.MADZELAN,R.C.RIZZO,G.BASSET,M . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 74.8 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 . 112 44.1 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 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 2 0 0 2 4 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 2 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 10 A A 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 46.9 49.9 -26.2 90.0 2 11 A I + 0 0 93 1,-0.3 0, 0.0 2,-0.0 0, 0.0 0.456 360.0 33.3 -99.2 -11.8 52.1 -23.7 88.2 3 12 A D S > S- 0 0 8 1,-0.1 4,-2.3 158,-0.1 3,-0.4 -0.823 83.4-164.3-133.4 98.7 49.5 -21.1 89.3 4 13 A P H > S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.862 82.0 47.8 -65.1 -37.6 48.2 -22.3 92.7 5 14 A P H > S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 6,-0.1 0.902 114.9 47.6 -68.6 -36.1 45.1 -20.3 93.1 6 15 A L H 4>S+ 0 0 0 -3,-0.4 5,-2.4 2,-0.2 4,-0.4 0.864 109.1 54.3 -64.5 -37.9 43.9 -21.2 89.6 7 16 A H H ><5S+ 0 0 109 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.928 106.9 50.8 -63.1 -41.1 44.7 -24.8 90.3 8 17 A M H 3<5S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.721 106.1 55.8 -69.3 -24.0 42.5 -24.8 93.4 9 18 A L T 3<5S- 0 0 2 -4,-0.9 19,-0.3 -3,-0.3 -1,-0.3 0.495 124.7-102.2 -83.8 -5.8 39.6 -23.3 91.5 10 19 A G T < 5 + 0 0 37 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.544 66.5 155.1 94.0 11.6 39.8 -26.2 89.0 11 20 A F < - 0 0 6 -5,-2.4 2,-0.4 14,-0.2 -1,-0.3 -0.442 25.1-160.5 -70.5 137.2 41.5 -24.5 86.1 12 21 A E E -A 24 0A 144 12,-3.0 12,-2.4 -2,-0.1 2,-0.2 -0.989 10.7-138.4-119.9 125.0 43.5 -26.8 83.7 13 22 A F E +A 23 0A 56 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.497 24.7 172.4 -73.7 149.4 46.2 -25.4 81.4 14 23 A D E + 0 0 92 8,-3.4 2,-0.4 1,-0.4 9,-0.2 0.655 55.0 19.4-119.9 -74.3 46.2 -26.8 77.8 15 24 A E E - 0 0 68 7,-0.3 7,-2.0 2,-0.0 2,-0.4 -0.841 53.7-174.0-108.5 138.5 48.7 -25.1 75.4 16 25 A L E +A 21 0A 90 -2,-0.4 5,-0.2 5,-0.2 38,-0.0 -0.996 24.4 133.8-128.8 130.5 51.7 -23.0 76.1 17 26 A S E > -A 20 0A 24 3,-0.8 3,-0.8 -2,-0.4 41,-0.2 -0.943 67.0 -95.4-160.6 165.7 53.7 -21.2 73.3 18 27 A P T 3 S+ 0 0 74 0, 0.0 40,-0.1 0, 0.0 3,-0.1 0.663 123.8 34.8 -71.4 -8.7 55.2 -17.8 72.9 19 28 A T T 3 S+ 0 0 91 1,-0.3 2,-0.3 69,-0.1 35,-0.0 0.398 122.5 31.5-116.6 0.3 52.1 -16.7 70.9 20 29 A R E < -A 17 0A 90 -3,-0.8 -3,-0.8 68,-0.2 2,-0.4 -0.906 48.8-179.1-164.3 128.1 49.2 -18.6 72.6 21 30 A I E +AB 16 87A 0 66,-2.3 66,-3.0 -2,-0.3 2,-0.3 -0.999 19.5 173.6-126.6 134.0 48.2 -19.9 76.0 22 31 A T E + B 0 86A 15 -7,-2.0 -8,-3.4 -2,-0.4 -7,-0.3 -0.929 8.7 143.7-133.8 161.5 45.0 -21.8 76.6 23 32 A G E -AB 13 85A 2 62,-1.7 62,-3.1 -2,-0.3 2,-0.3 -0.973 30.1-113.0-172.8-167.2 43.1 -23.7 79.2 24 33 A R E -AB 12 84A 90 -12,-2.4 -12,-3.0 -2,-0.3 60,-0.2 -0.957 9.9-163.9-140.8 153.2 39.7 -24.5 80.6 25 34 A L E - B 0 83A 0 58,-2.7 58,-2.6 -2,-0.3 2,-0.2 -0.925 17.0-141.9-139.3 113.4 37.6 -24.1 83.7 26 35 A P E - B 0 82A 71 0, 0.0 2,-1.3 0, 0.0 56,-0.2 -0.502 31.7-121.2 -62.6 133.5 34.5 -26.0 84.7 27 36 A V + 0 0 4 54,-3.0 53,-2.8 -2,-0.2 54,-0.1 -0.687 51.2 165.4 -81.2 95.0 32.2 -23.5 86.3 28 37 A S > - 0 0 39 -2,-1.3 3,-1.8 -19,-0.3 4,-0.2 -0.591 53.8 -90.7-107.4 172.3 31.9 -25.3 89.7 29 38 A P G > S+ 0 0 90 0, 0.0 3,-1.7 0, 0.0 7,-0.1 0.853 123.7 60.2 -56.1 -36.3 30.5 -23.9 93.0 30 39 A V G 3 S+ 0 0 44 1,-0.3 106,-0.1 102,-0.1 -20,-0.1 0.694 105.2 50.6 -63.0 -18.8 34.0 -22.7 94.2 31 40 A C G < S+ 0 0 0 -3,-1.8 8,-3.0 101,-0.1 2,-0.3 0.343 95.3 99.4 -97.1 0.2 34.1 -20.4 91.0 32 41 A C E < -L 38 0B 9 -3,-1.7 6,-0.3 6,-0.3 46,-0.1 -0.711 65.0-138.1-103.8 139.7 30.8 -18.8 91.5 33 42 A Q E >> -L 37 0B 30 4,-2.3 3,-1.1 -2,-0.3 4,-1.1 -0.535 58.4 -85.2 -80.4 161.0 29.5 -15.5 92.9 34 43 A P T 34 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 97,-0.1 0.514 121.8 67.5 -73.0 -2.7 26.5 -16.3 94.9 35 44 A F T 34 S- 0 0 122 2,-0.2 3,-0.1 3,-0.0 -2,-0.0 0.110 118.6 -98.2 -89.5 22.7 23.8 -16.2 92.2 36 45 A K T <4 S+ 0 0 141 -3,-1.1 43,-2.0 1,-0.3 2,-0.3 0.830 88.3 118.8 62.4 35.8 25.3 -19.4 90.6 37 46 A V E < S-LM 33 78B 6 -4,-1.1 -4,-2.3 41,-0.2 -1,-0.3 -0.922 76.4 -84.1-122.2 156.9 27.2 -17.5 88.0 38 47 A L E -L 32 0B 13 39,-2.5 2,-0.3 -2,-0.3 -6,-0.3 -0.313 50.9-108.6 -56.8 134.3 30.9 -17.5 87.4 39 48 A H >> - 0 0 1 -8,-3.0 4,-1.6 1,-0.1 3,-1.0 -0.485 15.4-141.9 -67.6 125.3 32.7 -14.9 89.6 40 49 A G H 3> S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.3 -1,-0.1 0.801 103.0 60.3 -57.5 -29.3 33.9 -11.9 87.5 41 50 A G H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.789 100.4 54.4 -67.9 -33.0 37.0 -11.9 89.8 42 51 A V H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.908 105.8 51.8 -67.2 -41.2 37.8 -15.4 88.6 43 52 A S H X S+ 0 0 5 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.938 112.0 47.9 -59.1 -44.4 37.7 -14.3 85.0 44 53 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.898 108.7 52.7 -59.2 -43.7 40.1 -11.5 86.0 45 54 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 109.4 50.5 -62.3 -39.5 42.4 -13.9 87.8 46 55 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.925 109.4 50.5 -61.6 -45.6 42.5 -16.1 84.7 47 56 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.954 112.5 46.1 -59.1 -50.3 43.4 -13.1 82.4 48 57 A E H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.884 114.5 47.5 -60.5 -44.1 46.2 -12.0 84.7 49 58 A S H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.944 115.3 42.3 -63.8 -49.9 47.6 -15.6 85.1 50 59 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.876 113.8 51.4 -70.5 -38.2 47.6 -16.5 81.4 51 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.897 111.7 48.9 -63.5 -39.5 48.9 -13.2 80.1 52 61 A S H X S+ 0 0 23 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.888 109.8 49.4 -67.4 -42.5 51.7 -13.4 82.6 53 62 A M H X S+ 0 0 34 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 112.9 49.8 -59.0 -45.9 52.6 -17.0 81.6 54 63 A G H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.924 111.6 46.5 -56.6 -51.6 52.6 -15.8 78.0 55 64 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 7,-0.3 0.843 109.8 53.8 -60.8 -36.0 54.8 -12.8 78.6 56 65 A H H <>S+ 0 0 65 -4,-2.0 5,-2.9 2,-0.2 6,-0.5 0.944 115.5 41.2 -69.6 -42.4 57.2 -14.9 80.6 57 66 A M H ><5S+ 0 0 53 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.943 114.1 49.5 -67.0 -47.9 57.5 -17.2 77.7 58 67 A A H 3<5S+ 0 0 37 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.704 109.6 54.2 -68.9 -19.3 57.6 -14.6 75.0 59 68 A S T 3<5S- 0 0 24 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.458 120.6-104.8 -91.1 0.1 60.3 -12.7 76.9 60 69 A G T < 5S- 0 0 54 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.863 76.0 -54.4 78.2 32.8 62.6 -15.7 77.1 61 70 A F S -M 37 0B 77 -2,-0.4 3,-2.5 -41,-0.2 -41,-0.2 -0.583 30.4 -86.9 -95.5 154.7 26.2 -20.4 84.8 79 88 A L T 3 S+ 0 0 67 -43,-2.0 -51,-0.2 1,-0.3 -1,-0.1 -0.353 119.3 32.2 -46.7 129.7 27.1 -23.1 87.3 80 89 A G T 3 S+ 0 0 32 -53,-2.8 -1,-0.3 1,-0.4 -52,-0.1 0.058 93.4 116.3 97.9 -21.1 27.7 -26.3 85.2 81 90 A D < - 0 0 11 -3,-2.5 -54,-3.0 -54,-0.1 2,-0.4 -0.208 62.6-126.9 -68.4 165.4 29.0 -24.4 82.1 82 91 A L E -BE 26 106A 54 24,-2.5 24,-2.1 -56,-0.2 2,-0.4 -0.986 18.4-152.0-116.5 129.9 32.5 -24.9 80.8 83 92 A V E -BE 25 105A 1 -58,-2.6 -58,-2.7 -2,-0.4 2,-0.4 -0.823 4.8-162.0-105.5 135.2 34.8 -21.9 80.2 84 93 A F E -BE 24 104A 33 20,-2.8 20,-2.4 -2,-0.4 2,-0.4 -0.967 8.8-162.0-114.0 136.3 37.6 -21.9 77.7 85 94 A A E -BE 23 103A 3 -62,-3.1 -62,-1.7 -2,-0.4 2,-0.4 -0.929 9.6-178.6-124.3 141.6 40.4 -19.3 77.9 86 95 A E E -BE 22 102A 30 16,-2.3 16,-2.5 -2,-0.4 2,-0.4 -0.949 5.1-168.7-142.8 124.3 42.9 -18.1 75.3 87 96 A A E +BE 21 101A 0 -66,-3.0 -66,-2.3 -2,-0.4 14,-0.2 -0.910 13.8 167.1-111.5 131.0 45.7 -15.5 75.7 88 97 A T E - E 0 100A 36 12,-2.3 12,-3.4 -2,-0.4 2,-0.2 -0.978 37.4 -99.4-139.8 157.6 47.6 -14.1 72.7 89 98 A P E - E 0 99A 42 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.486 25.1-178.6 -82.8 140.1 49.9 -11.2 72.3 90 99 A V E S+ 0 0 73 8,-3.5 2,-0.3 1,-0.4 9,-0.2 0.734 80.6 2.0 -94.2 -39.0 48.8 -7.9 71.0 91 100 A S E - E 0 98A 63 7,-2.0 7,-2.5 2,-0.1 2,-0.5 -0.976 62.0-170.6-146.8 132.2 52.2 -6.3 71.2 92 101 A T E + E 0 97A 83 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.950 20.4 151.7-127.8 112.7 55.5 -7.6 72.3 93 102 A G - 0 0 42 3,-2.0 -2,-0.1 -2,-0.5 5,-0.0 -0.637 58.3 -92.7-114.8-169.3 58.5 -5.3 72.8 94 103 A K S S+ 0 0 171 -2,-0.2 3,-0.1 1,-0.1 32,-0.1 0.804 119.6 20.3 -75.7 -32.4 61.5 -5.6 75.1 95 104 A T S S+ 0 0 77 1,-0.3 31,-2.4 32,-0.1 2,-0.4 0.817 124.7 39.9-108.3 -46.2 60.0 -3.6 78.0 96 105 A I E - F 0 125A 66 29,-0.2 -3,-2.0 2,-0.0 2,-0.4 -0.925 56.8-176.7-114.2 132.1 56.2 -3.7 77.6 97 106 A Q E -EF 92 124A 3 27,-2.4 27,-3.0 -2,-0.4 2,-0.4 -0.971 8.2-161.1-119.5 141.9 54.0 -6.6 76.4 98 107 A V E -EF 91 123A 32 -7,-2.5 -8,-3.5 -2,-0.4 -7,-2.0 -1.000 12.1-172.3-121.3 124.5 50.2 -6.3 75.9 99 108 A W E -EF 89 122A 0 23,-2.3 23,-2.8 -2,-0.4 2,-0.4 -0.902 14.6-144.7-116.3 143.5 48.2 -9.6 75.9 100 109 A E E -EF 88 121A 31 -12,-3.4 -12,-2.3 -2,-0.4 2,-0.5 -0.925 13.0-165.6-104.3 135.0 44.6 -10.2 75.0 101 110 A V E -EF 87 120A 0 19,-2.3 19,-2.4 -2,-0.4 2,-0.4 -0.990 3.2-168.6-124.2 118.7 42.7 -12.9 77.0 102 111 A K E -EF 86 119A 58 -16,-2.5 -16,-2.3 -2,-0.5 2,-0.4 -0.899 3.5-161.2-103.4 135.7 39.3 -14.1 75.7 103 112 A L E +EF 85 118A 1 15,-2.4 14,-2.9 -2,-0.4 15,-1.6 -0.984 11.0 179.9-112.8 135.2 36.9 -16.3 77.7 104 113 A W E -EF 84 116A 53 -20,-2.4 -20,-2.8 -2,-0.4 2,-0.3 -0.921 11.7-148.6-124.5 156.1 34.1 -18.3 76.1 105 114 A K E -EF 83 115A 26 10,-2.6 10,-2.9 -2,-0.3 2,-0.3 -0.897 8.5-168.8-119.4 150.5 31.5 -20.6 77.6 106 115 A T E -E 82 0A 8 -24,-2.1 -24,-2.5 -2,-0.3 5,-0.2 -0.917 20.6-143.6-120.8 162.6 29.8 -23.8 76.4 107 116 A T - 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