==== 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 3R35 . 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) . 12682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 75.4 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 . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 15.7 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 88 0, 0.0 3,-1.7 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 143.7 73.6 21.6 2.5 2 12 A G G > + 0 0 24 1,-0.3 3,-1.8 2,-0.2 20,-0.0 -0.393 360.0 9.6 -57.8 143.8 70.9 23.9 3.9 3 13 A G G 3 S- 0 0 11 1,-0.3 25,-2.8 24,-0.1 -1,-0.3 0.485 121.3 -89.2 60.4 3.4 71.8 27.6 3.5 4 14 A N G < S+ 0 0 99 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.767 71.6 168.2 70.9 23.7 74.6 26.4 1.4 5 15 A L < - 0 0 8 -3,-1.8 -1,-0.2 1,-0.2 60,-0.0 -0.378 51.8 -75.0 -65.9 152.2 77.0 26.0 4.2 6 16 A P - 0 0 18 0, 0.0 2,-1.3 0, 0.0 3,-0.2 -0.183 40.4-134.5 -52.2 130.2 80.2 24.1 3.3 7 17 A D + 0 0 118 1,-0.2 3,-0.0 -3,-0.1 -2,-0.0 -0.664 53.6 137.6 -89.4 91.8 79.6 20.4 3.0 8 18 A V + 0 0 40 -2,-1.3 2,-0.3 1,-0.0 -1,-0.2 0.435 59.3 46.6-116.5 -6.6 82.6 19.1 4.9 9 19 A A S S- 0 0 23 -3,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.948 72.1-128.0-140.0 156.3 81.0 16.3 6.8 10 20 A S S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.866 94.6 11.8 -73.7 -34.6 78.6 13.4 6.2 11 21 A H - 0 0 144 -3,-0.1 -1,-0.2 4,-0.0 3,-0.0 -0.990 66.0-149.9-141.9 152.3 76.2 14.3 9.0 12 22 A Y - 0 0 48 -2,-0.3 179,-0.1 -3,-0.1 3,-0.1 -0.929 24.9-123.9-122.6 146.3 75.6 17.3 11.4 13 23 A P S S+ 0 0 86 0, 0.0 2,-0.4 0, 0.0 178,-0.2 0.864 99.5 29.5 -52.3 -37.8 74.3 17.6 14.9 14 24 A V S S- 0 0 11 176,-2.4 178,-0.1 -3,-0.0 5,-0.1 -0.986 83.4-123.1-131.7 132.6 71.6 20.0 13.9 15 25 A A >> - 0 0 50 -2,-0.4 3,-1.3 1,-0.1 4,-1.1 -0.358 28.8-113.8 -73.9 154.0 69.8 20.4 10.5 16 26 A Y G >4 S+ 0 0 42 1,-0.3 3,-1.3 2,-0.2 6,-0.8 0.895 112.5 53.9 -54.1 -50.2 69.9 23.8 8.8 17 27 A E G 34 S+ 0 0 111 1,-0.3 -1,-0.3 5,-0.2 8,-0.0 0.746 110.7 47.3 -64.9 -23.0 66.1 24.6 9.1 18 28 A Q G <4 S+ 0 0 101 -3,-1.3 -1,-0.3 4,-0.1 170,-0.3 0.642 95.8 89.7 -90.0 -20.1 66.2 24.0 12.8 19 29 A T S S+ 0 0 9 168,-2.6 4,-2.2 165,-0.5 5,-0.3 0.925 124.4 52.4 -45.3 -50.5 69.4 29.8 14.4 21 31 A D H >>S+ 0 0 2 167,-0.4 5,-2.4 1,-0.2 4,-1.3 0.880 111.1 45.3 -60.8 -43.8 70.7 30.4 10.8 22 32 A G H 45S+ 0 0 15 -6,-0.8 -1,-0.2 3,-0.2 -2,-0.2 0.886 110.8 55.0 -60.9 -42.7 67.9 28.3 9.3 23 33 A T H <5S+ 0 0 47 -4,-2.9 -2,-0.2 -7,-0.3 -1,-0.2 0.921 115.9 34.7 -62.6 -42.8 65.3 30.1 11.4 24 34 A V H <5S- 0 0 9 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.659 115.8-113.7 -91.7 -16.1 66.2 33.6 10.3 25 35 A G T <5 + 0 0 25 -4,-1.3 16,-0.4 -5,-0.3 -3,-0.2 0.755 43.1 178.8 95.6 31.0 67.1 32.5 6.8 26 36 A F < - 0 0 1 -5,-2.4 2,-0.4 -6,-0.2 14,-0.2 -0.437 6.2-171.4 -62.9 130.8 70.9 33.0 6.3 27 37 A V E -A 39 0A 64 12,-2.6 12,-2.4 -2,-0.2 2,-0.3 -0.976 15.7-143.3-129.4 125.4 72.1 32.0 2.9 28 38 A I E +A 38 0A 2 -25,-2.8 10,-0.3 -2,-0.4 3,-0.1 -0.639 20.9 174.6 -81.4 133.7 75.8 31.7 1.8 29 39 A D E + 0 0 113 8,-2.0 2,-0.2 1,-0.4 -1,-0.2 0.717 61.5 18.9 -98.8 -83.0 76.4 32.7 -1.8 30 40 A E E - 0 0 84 2,-0.0 7,-2.3 8,-0.0 -1,-0.4 -0.529 63.3-177.9 -91.2 151.8 80.1 32.7 -2.7 31 41 A M E +A 36 0A 55 5,-0.2 5,-0.2 -2,-0.2 -3,-0.0 -0.769 12.9 148.0-156.1 112.5 82.8 31.0 -0.7 32 42 A T - 0 0 62 3,-3.2 3,-0.3 -2,-0.3 41,-0.1 -0.807 59.8 -96.5-129.2 170.4 86.5 30.8 -1.2 33 43 A P S S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 40,-0.1 0.811 124.3 31.5 -58.0 -27.2 89.5 30.5 1.2 34 44 A E S S+ 0 0 116 1,-0.2 71,-2.7 70,-0.1 2,-0.3 0.536 126.4 24.2-106.7 -9.8 90.0 34.3 1.1 35 45 A R E + B 0 104A 77 -3,-0.3 -3,-3.2 69,-0.2 2,-0.3 -0.982 55.3 176.6-158.4 140.7 86.4 35.7 0.7 36 46 A A E -AB 31 103A 0 67,-2.0 67,-2.6 -2,-0.3 2,-0.3 -0.968 9.1-162.7-144.6 150.9 82.8 34.5 1.4 37 47 A T E + B 0 102A 18 -7,-2.3 -8,-2.0 -2,-0.3 2,-0.3 -0.943 12.4 166.5-136.2 160.6 79.5 36.3 1.0 38 48 A A E -AB 28 101A 4 63,-1.7 63,-3.0 -2,-0.3 2,-0.3 -0.950 9.6-166.5-163.6 162.0 76.0 35.6 2.4 39 49 A S E -AB 27 100A 40 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.3 -0.956 5.5-159.6-153.7 172.6 72.7 37.3 2.7 40 50 A V E - B 0 99A 4 59,-1.6 59,-2.1 -2,-0.3 2,-0.4 -0.979 25.0-117.1-157.9 144.5 69.3 37.2 4.4 41 51 A E E - B 0 98A 123 -16,-0.4 2,-0.4 -2,-0.3 57,-0.3 -0.693 34.7-122.0 -85.0 131.5 65.9 38.7 3.8 42 52 A V + 0 0 10 55,-3.1 55,-0.4 -2,-0.4 2,-0.3 -0.587 47.4 152.5 -76.4 130.5 64.8 41.0 6.6 43 53 A T > - 0 0 57 -2,-0.4 3,-1.6 -19,-0.1 4,-0.3 -0.819 64.2 -85.4-142.0 175.3 61.5 39.8 8.1 44 54 A D G > S+ 0 0 65 -2,-0.3 3,-1.9 1,-0.3 117,-0.4 0.777 123.9 68.8 -54.9 -33.4 60.2 40.4 11.7 45 55 A T G 3 S+ 0 0 36 1,-0.3 -1,-0.3 115,-0.2 119,-0.1 0.752 103.0 46.0 -57.8 -26.3 62.2 37.3 12.9 46 56 A L G < S+ 0 0 2 -3,-1.6 8,-2.9 -22,-0.1 -1,-0.3 0.410 104.8 79.3 -89.7 -5.0 65.4 39.4 12.2 47 57 A R B < -L 53 0B 34 -3,-1.9 114,-2.7 6,-0.3 115,-0.4 -0.601 69.5-133.5-107.6 170.2 64.1 42.6 13.9 48 58 A Q > - 0 0 40 4,-2.1 3,-1.8 112,-0.2 -2,-0.1 -0.461 47.7 -83.9-107.0-176.6 63.8 43.8 17.5 49 59 A R T 3 S+ 0 0 19 1,-0.3 106,-2.3 -2,-0.2 108,-0.0 0.666 123.9 63.5 -68.1 -18.1 60.7 45.4 18.9 50 60 A W T 3 S- 0 0 59 104,-0.2 -1,-0.3 103,-0.2 3,-0.1 0.380 118.2-106.8 -90.2 2.4 61.5 48.9 17.6 51 61 A G S < S+ 0 0 1 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.433 80.7 118.2 90.4 1.6 61.3 47.6 14.0 52 62 A L S S- 0 0 45 1,-0.1 -4,-2.1 -8,-0.0 -1,-0.3 -0.707 78.7 -86.9 -95.5 152.9 65.1 47.6 13.2 53 63 A V B -L 47 0B 7 41,-3.4 -6,-0.3 -2,-0.3 41,-0.2 -0.397 58.5-106.3 -52.2 132.7 67.2 44.6 12.3 54 64 A H >> - 0 0 4 -8,-2.9 3,-1.4 1,-0.1 4,-1.1 -0.303 14.8-127.5 -64.5 141.5 68.5 43.3 15.6 55 65 A G H 3> S+ 0 0 10 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.856 111.6 61.5 -58.4 -30.8 72.2 44.0 16.5 56 66 A G H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.775 94.4 59.4 -66.2 -30.3 72.3 40.2 17.1 57 67 A A H <> S+ 0 0 6 -3,-1.4 4,-2.0 -11,-0.2 -1,-0.2 0.852 105.1 49.2 -68.9 -40.9 71.5 39.4 13.5 58 68 A Y H X S+ 0 0 9 -4,-1.1 4,-2.2 -3,-0.3 5,-0.2 0.946 114.3 45.3 -64.1 -49.0 74.5 41.3 12.2 59 69 A C H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.917 113.2 50.4 -55.6 -41.1 76.8 39.5 14.7 60 70 A A H X S+ 0 0 3 -4,-2.3 4,-2.6 137,-0.2 5,-0.3 0.902 110.7 48.2 -72.4 -34.6 75.2 36.1 14.0 61 71 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.947 114.2 46.7 -74.0 -43.8 75.6 36.5 10.2 62 72 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.925 113.8 48.7 -57.9 -51.2 79.2 37.6 10.5 63 73 A D H X S+ 0 0 10 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.924 113.2 44.6 -57.0 -49.3 80.0 34.8 12.9 64 74 A M H X S+ 0 0 10 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.957 116.9 47.1 -60.7 -46.5 78.5 32.0 10.8 65 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.953 116.6 41.2 -68.3 -48.8 80.0 33.3 7.6 66 76 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.913 119.0 45.5 -60.3 -48.3 83.6 33.8 9.0 67 77 A T H X S+ 0 0 14 -4,-2.6 4,-2.8 -5,-0.3 3,-0.2 0.959 116.2 45.1 -61.1 -49.2 83.6 30.6 11.0 68 78 A E H X S+ 0 0 7 -4,-3.1 4,-2.8 -5,-0.3 -2,-0.2 0.890 108.3 56.4 -66.3 -35.3 82.2 28.5 8.2 69 79 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.867 112.4 44.7 -61.7 -32.5 84.5 30.1 5.6 70 80 A T H >X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.2 3,-0.9 0.909 109.7 53.5 -74.8 -44.8 87.3 28.9 7.9 71 81 A V H 3X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.3 5,-0.4 0.902 99.3 65.5 -52.7 -43.4 85.7 25.4 8.4 72 82 A A H 3< S+ 0 0 34 -4,-2.8 4,-0.3 1,-0.2 -1,-0.3 0.861 113.3 30.6 -53.4 -34.2 85.6 25.1 4.6 73 83 A V H << S+ 0 0 30 -3,-0.9 4,-0.2 -4,-0.6 -2,-0.2 0.908 125.5 38.6 -90.7 -45.6 89.4 25.1 4.6 74 84 A V H ><>S+ 0 0 6 -4,-2.7 5,-2.0 1,-0.2 3,-0.7 0.649 94.0 77.1 -87.7 -16.1 90.5 23.5 7.8 75 85 A H G ><5S+ 0 0 27 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.954 96.4 49.6 -60.8 -47.5 88.0 20.7 8.4 76 86 A E G 3 5S+ 0 0 167 -5,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.643 104.2 62.0 -70.3 -13.8 89.6 18.4 5.9 77 87 A K G < 5S- 0 0 136 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.205 123.7-102.7 -90.2 17.7 92.9 19.1 7.5 78 88 A G T < 5S+ 0 0 34 -3,-2.1 61,-2.7 1,-0.2 2,-0.2 0.554 82.9 121.8 77.1 9.3 91.7 17.6 10.8 79 89 A M E < -C 138 0A 48 -5,-2.0 2,-0.3 59,-0.3 -1,-0.2 -0.638 51.7-142.3-103.6 157.6 91.1 21.0 12.6 80 90 A M E -C 137 0A 68 57,-3.4 57,-2.3 -2,-0.2 2,-0.4 -0.862 12.8-155.3-109.9 158.2 88.0 22.6 14.1 81 91 A A E +C 136 0A 10 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.998 17.3 167.6-137.0 121.5 87.2 26.3 13.9 82 92 A V E -C 135 0A 60 53,-2.0 53,-2.3 -2,-0.4 2,-0.3 -0.971 42.2 -97.5-130.3 156.7 85.0 28.3 16.3 83 93 A G E +C 134 0A 14 -2,-0.3 51,-0.2 51,-0.2 3,-0.1 -0.512 37.8 172.0 -71.4 130.3 84.4 32.0 16.9 84 94 A Q E + 0 0 76 49,-2.9 147,-2.4 1,-0.4 2,-0.3 0.649 67.8 13.9-109.5 -25.4 86.6 33.3 19.7 85 95 A S E -CD 133 230A 25 48,-1.7 48,-2.7 145,-0.2 2,-0.4 -0.973 55.5-175.9-151.7 138.7 85.9 37.0 19.3 86 96 A N E -CD 132 229A 0 143,-2.9 143,-3.3 -2,-0.3 2,-0.5 -0.992 3.0-178.1-136.6 120.2 83.3 39.2 17.4 87 97 A H E +CD 131 228A 63 44,-1.8 44,-3.1 -2,-0.4 2,-0.4 -0.947 10.3 179.4-121.8 106.6 83.5 42.9 17.4 88 98 A T E -CD 130 227A 0 139,-3.0 139,-2.8 -2,-0.5 2,-0.4 -0.892 10.5-164.1-111.5 132.2 80.6 44.5 15.6 89 99 A S E -CD 129 226A 32 40,-2.7 40,-1.9 -2,-0.4 2,-0.6 -0.982 13.2-141.1-117.2 143.3 80.1 48.2 15.2 90 100 A F E +C 128 0A 27 135,-3.1 38,-0.2 -2,-0.4 37,-0.1 -0.819 27.6 163.7-112.8 114.7 76.8 49.7 14.1 91 101 A F + 0 0 120 36,-2.3 37,-0.2 -2,-0.6 -1,-0.2 0.828 68.6 4.8-101.1 -35.4 76.7 52.6 11.7 92 102 A R S S- 0 0 114 35,-1.9 -1,-0.3 33,-0.1 2,-0.0 -0.988 74.4-112.9-154.7 140.3 73.2 52.7 10.3 93 103 A P - 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