==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-11 3R32 . COMPND 2 MOLECULE: 4-HYDROXYBENZOYL-COA THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR H.M.HOLDEN,J.B.THODEN,F.SONG,Z.ZHUANG,M.TRUJILLO,D.DUNAWAY-M . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 72.2 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 . 105 37.4 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 0 1 1 1 0 2 2 2 0 2 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 11 A T > 0 0 87 0, 0.0 3,-1.6 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 146.1 -17.1 76.4 3.1 2 12 A G G > + 0 0 26 1,-0.3 3,-1.7 2,-0.2 20,-0.0 -0.393 360.0 6.9 -64.1 142.6 -14.4 74.1 4.7 3 13 A G G 3 S- 0 0 13 1,-0.3 25,-3.2 24,-0.1 -1,-0.3 0.489 121.3 -86.2 65.6 0.2 -15.2 70.4 4.3 4 14 A N G < S+ 0 0 98 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.746 74.8 166.5 70.6 22.8 -18.1 71.5 2.1 5 15 A L < - 0 0 8 -3,-1.7 -1,-0.2 1,-0.1 60,-0.0 -0.372 52.2 -80.5 -65.2 152.2 -20.4 71.9 5.1 6 16 A P - 0 0 18 0, 0.0 2,-1.3 0, 0.0 3,-0.2 -0.274 39.8-133.2 -57.4 132.3 -23.6 73.8 4.1 7 17 A D + 0 0 114 1,-0.2 3,-0.0 -3,-0.1 -2,-0.0 -0.666 52.2 140.2 -89.3 94.1 -22.9 77.6 4.0 8 18 A V + 0 0 41 -2,-1.3 2,-0.3 1,-0.0 -1,-0.2 0.465 56.1 41.0-117.8 -7.3 -25.9 78.9 6.0 9 19 A A S S- 0 0 30 -3,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.932 74.0-120.6-137.9 165.8 -24.5 81.7 8.1 10 20 A S S S+ 0 0 125 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.875 95.8 11.0 -75.3 -36.5 -22.1 84.6 7.7 11 21 A H - 0 0 144 -3,-0.1 -1,-0.2 4,-0.0 3,-0.0 -0.990 64.9-150.1-142.9 154.2 -19.7 83.5 10.5 12 22 A Y - 0 0 46 -2,-0.3 179,-0.2 -3,-0.1 3,-0.0 -0.907 26.2-122.0-121.5 143.4 -19.3 80.3 12.6 13 23 A P S S+ 0 0 87 0, 0.0 2,-0.4 0, 0.0 178,-0.2 0.865 99.1 30.6 -56.6 -31.0 -18.0 80.2 16.1 14 24 A V S S- 0 0 10 176,-2.0 178,-0.1 -3,-0.0 5,-0.1 -0.989 86.8-118.9-132.7 132.5 -15.1 77.8 15.3 15 25 A A >> - 0 0 47 -2,-0.4 3,-1.4 1,-0.1 4,-0.7 -0.350 28.2-116.9 -68.9 149.7 -13.3 77.6 11.9 16 26 A Y G >4 S+ 0 0 40 1,-0.3 3,-1.3 2,-0.2 6,-0.8 0.860 110.8 56.9 -55.7 -42.6 -13.6 74.2 10.1 17 27 A E G 34 S+ 0 0 118 1,-0.3 -1,-0.3 5,-0.1 8,-0.1 0.762 108.9 47.8 -68.2 -20.3 -9.9 73.4 10.2 18 28 A Q G <4 S+ 0 0 100 -3,-1.4 -1,-0.3 4,-0.1 170,-0.3 0.540 95.5 90.4 -91.2 -13.1 -9.8 73.7 14.0 19 29 A T S S+ 0 0 9 168,-2.4 4,-2.0 165,-0.5 5,-0.3 0.934 123.3 54.9 -48.9 -47.1 -13.0 67.8 15.4 21 31 A D H >>S+ 0 0 3 167,-0.4 5,-2.3 1,-0.2 4,-1.1 0.902 111.0 40.4 -57.8 -48.3 -14.3 67.5 11.8 22 32 A G H 45S+ 0 0 17 -6,-0.8 -1,-0.2 3,-0.2 -2,-0.2 0.820 111.0 60.6 -74.1 -28.8 -11.5 69.4 10.2 23 33 A T H <5S+ 0 0 49 -4,-2.4 -2,-0.2 -7,-0.2 -1,-0.2 0.936 114.7 31.8 -62.2 -41.3 -8.9 67.7 12.4 24 34 A V H <5S- 0 0 13 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.632 116.5-114.1 -96.2 -13.1 -9.8 64.2 11.2 25 35 A G T <5 + 0 0 26 -4,-1.1 16,-0.4 -5,-0.3 -3,-0.2 0.812 42.9 178.0 90.7 38.7 -10.7 65.4 7.7 26 36 A F < - 0 0 1 -5,-2.3 2,-0.4 -6,-0.2 14,-0.2 -0.523 7.0-171.9 -71.6 136.3 -14.4 64.8 7.1 27 37 A V E -A 39 0A 54 12,-2.2 12,-2.3 -2,-0.2 2,-0.4 -1.000 17.6-137.7-132.3 129.0 -15.6 66.1 3.7 28 38 A I E +A 38 0A 2 -25,-3.2 10,-0.3 -2,-0.4 3,-0.1 -0.700 21.1 178.4 -82.2 130.4 -19.3 66.3 2.5 29 39 A D E + 0 0 90 8,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.801 64.0 11.4 -95.6 -75.1 -19.8 65.1 -1.1 30 40 A E E - 0 0 101 7,-0.1 7,-2.6 2,-0.0 -1,-0.4 -0.778 62.9-175.6-104.7 153.7 -23.5 65.3 -1.9 31 41 A M E +A 36 0A 54 -2,-0.3 5,-0.3 5,-0.3 -3,-0.0 -0.900 13.9 150.5-148.7 113.4 -26.2 67.0 0.2 32 42 A T - 0 0 62 3,-3.2 3,-0.4 -2,-0.3 41,-0.1 -0.842 58.2 -98.8-126.2 175.6 -29.9 67.1 -0.4 33 43 A P S S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 40,-0.1 0.783 123.4 31.8 -65.4 -21.8 -32.9 67.3 2.0 34 44 A E S S+ 0 0 123 1,-0.3 71,-2.5 70,-0.1 2,-0.3 0.532 127.0 25.0-110.2 -5.0 -33.4 63.6 1.8 35 45 A R E + B 0 104A 80 -3,-0.4 -3,-3.2 69,-0.2 2,-0.3 -0.967 55.2 172.9-161.3 136.9 -29.9 62.2 1.3 36 46 A A E -AB 31 103A 0 67,-1.9 67,-2.8 -2,-0.3 2,-0.3 -0.979 10.6-160.6-145.3 155.6 -26.3 63.2 2.0 37 47 A T E + B 0 102A 17 -7,-2.6 -8,-2.3 -2,-0.3 2,-0.3 -0.959 12.4 169.0-139.3 152.4 -22.9 61.5 1.7 38 48 A A E -AB 28 101A 1 63,-1.8 63,-3.2 -2,-0.3 2,-0.3 -0.965 8.9-165.7-153.2 161.3 -19.5 62.2 3.2 39 49 A S E -AB 27 100A 14 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.3 -0.951 6.7-160.8-150.7 173.5 -16.1 60.5 3.5 40 50 A V E - B 0 99A 5 59,-1.5 59,-2.1 -2,-0.3 2,-0.4 -0.966 23.8-123.1-154.2 138.1 -12.9 60.5 5.3 41 51 A E E - B 0 98A 130 -16,-0.4 2,-0.4 -2,-0.3 57,-0.3 -0.719 35.0-121.3 -80.0 133.8 -9.4 59.1 4.6 42 52 A V + 0 0 10 55,-3.0 55,-0.4 -2,-0.4 2,-0.3 -0.621 46.3 153.7 -78.5 129.8 -8.3 56.8 7.5 43 53 A T > - 0 0 62 -2,-0.4 3,-1.8 53,-0.1 4,-0.2 -0.808 64.0 -84.1-135.8-180.0 -5.0 58.0 9.1 44 54 A D G > S+ 0 0 63 -2,-0.3 3,-1.7 1,-0.3 117,-0.4 0.766 123.4 70.3 -57.0 -32.3 -3.8 57.3 12.7 45 55 A T G 3 S+ 0 0 38 1,-0.3 -1,-0.3 115,-0.2 119,-0.1 0.731 103.2 43.8 -55.4 -22.8 -5.8 60.3 13.9 46 56 A L G < S+ 0 0 1 -3,-1.8 8,-2.7 114,-0.1 -1,-0.3 0.411 104.9 82.7 -99.7 -2.9 -8.9 58.3 13.2 47 57 A R B < -L 53 0B 41 -3,-1.7 114,-2.6 112,-0.3 115,-0.4 -0.589 69.8-132.5-101.0 165.5 -7.6 55.1 14.7 48 58 A Q > - 0 0 36 4,-2.5 3,-2.1 112,-0.2 -2,-0.1 -0.508 46.2 -86.6-102.4 177.9 -7.4 53.8 18.3 49 59 A R T 3 S+ 0 0 18 1,-0.3 106,-2.1 -2,-0.2 108,-0.1 0.686 124.4 61.7 -69.1 -13.1 -4.2 52.3 19.7 50 60 A W T 3 S- 0 0 71 104,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.422 119.3-105.5 -93.5 4.0 -5.0 48.7 18.4 51 61 A G S < S+ 0 0 13 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.469 81.1 117.5 93.9 -1.2 -4.9 50.0 14.9 52 62 A L S S- 0 0 33 1,-0.1 -4,-2.5 41,-0.0 -1,-0.3 -0.732 77.8 -87.4 -95.2 156.3 -8.7 50.1 14.0 53 63 A V B -L 47 0B 7 41,-2.8 -6,-0.3 -2,-0.3 41,-0.2 -0.351 57.9-105.0 -53.8 134.1 -10.8 53.0 13.2 54 64 A H >> - 0 0 4 -8,-2.7 3,-1.2 1,-0.1 4,-1.0 -0.328 14.6-127.4 -66.7 143.3 -12.1 54.4 16.5 55 65 A G H 3> S+ 0 0 17 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.862 111.4 59.2 -52.1 -40.4 -15.8 53.8 17.5 56 66 A G H 3> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.724 95.7 61.7 -64.6 -23.5 -16.0 57.5 18.0 57 67 A A H <> S+ 0 0 6 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.922 103.9 47.0 -75.5 -39.8 -15.1 58.3 14.4 58 68 A Y H X S+ 0 0 10 -4,-1.0 4,-2.1 -3,-0.4 5,-0.2 0.928 115.5 46.5 -65.3 -44.8 -18.1 56.5 13.0 59 69 A C H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.862 112.6 49.5 -61.3 -39.3 -20.4 58.2 15.5 60 70 A A H X S+ 0 0 3 -4,-2.0 4,-2.4 137,-0.2 5,-0.3 0.878 110.9 49.8 -70.8 -38.2 -18.8 61.6 14.8 61 71 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.964 113.5 45.3 -69.2 -47.2 -19.2 61.3 11.1 62 72 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.905 113.5 50.4 -53.5 -52.1 -22.8 60.2 11.3 63 73 A A H X S+ 0 0 11 -4,-2.5 4,-1.8 -5,-0.2 5,-0.2 0.901 113.8 43.0 -55.4 -45.0 -23.6 63.0 13.8 64 74 A M H X S+ 0 0 10 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.953 117.2 47.6 -65.1 -45.5 -22.0 65.8 11.7 65 75 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.952 116.3 40.5 -70.0 -50.2 -23.5 64.5 8.4 66 76 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.880 118.6 46.7 -62.7 -42.4 -27.1 64.0 9.7 67 77 A T H X S+ 0 0 20 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.937 114.6 44.9 -68.4 -45.7 -27.2 67.2 11.7 68 78 A E H X S+ 0 0 7 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.849 108.5 56.8 -67.2 -35.2 -25.7 69.4 9.0 69 79 A A H < S+ 0 0 1 -4,-2.2 4,-0.4 -5,-0.4 -1,-0.2 0.873 112.4 45.1 -63.4 -28.6 -28.0 67.9 6.3 70 80 A T H >X S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.2 3,-1.0 0.885 109.6 52.4 -77.0 -42.2 -30.8 69.0 8.7 71 81 A V H 3X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.3 5,-0.3 0.875 99.7 65.8 -59.8 -40.9 -29.4 72.5 9.3 72 82 A A H 3< S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.756 113.2 31.2 -57.4 -29.7 -29.1 73.0 5.5 73 83 A V H <4 S+ 0 0 30 -3,-1.0 4,-0.4 -4,-0.4 -1,-0.2 0.808 125.7 38.2 -92.0 -45.7 -33.0 72.9 5.3 74 84 A V H <>S+ 0 0 7 -4,-2.6 5,-2.0 1,-0.2 3,-0.3 0.689 94.4 78.8 -87.4 -15.6 -34.2 74.3 8.6 75 85 A H T ><5S+ 0 0 29 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.926 94.8 48.1 -63.6 -43.9 -31.7 77.1 9.3 76 86 A E T 3 5S+ 0 0 165 -5,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.744 103.5 64.7 -70.8 -21.0 -33.2 79.6 6.9 77 87 A K T 3 5S- 0 0 143 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.332 124.2-104.0 -78.2 11.6 -36.6 78.8 8.5 78 88 A G T < 5S+ 0 0 33 -3,-1.9 61,-2.3 1,-0.3 2,-0.3 0.675 82.9 121.8 78.2 15.4 -35.3 80.2 11.7 79 89 A M E < -C 138 0A 47 -5,-2.0 2,-0.3 59,-0.2 -1,-0.3 -0.727 50.5-145.7-106.9 153.9 -34.7 76.8 13.4 80 90 A M E -C 137 0A 72 57,-3.2 57,-2.2 -2,-0.3 2,-0.4 -0.852 10.9-154.4-106.4 164.5 -31.6 75.1 14.9 81 91 A A E +C 136 0A 8 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -1.000 16.5 171.7-134.9 128.6 -30.9 71.3 14.7 82 92 A V E -C 135 0A 53 53,-2.1 53,-2.8 -2,-0.4 2,-0.2 -0.985 41.2 -95.7-134.2 155.3 -28.8 69.4 17.2 83 93 A G E +C 134 0A 20 -2,-0.3 51,-0.2 51,-0.2 3,-0.1 -0.457 37.3 175.7 -67.9 131.7 -28.2 65.7 17.7 84 94 A Q E - 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