==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-09 3KVZ . COMPND 2 MOLECULE: FLUOROACETYL-COA THIOESTERASE FLK; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR M.V.B.DIAS,F.HUANG,D.Y.CHIRGADZE,M.TOSIN,D SPITELLER,E.F.VAL . 1064 8 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 794 74.6 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 . 369 34.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 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 . 2 0.2 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 . 63 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 18.8 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+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 9 0 0 0 0 4 2 2 0 0 0 0 8 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 . 8 0 0 0 4 0 9 1 20 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 4 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 5 A M 0 0 70 0, 0.0 2,-0.3 0, 0.0 90,-0.0 0.000 360.0 360.0 360.0 133.7 21.5 -20.2 -8.9 2 6 A R > - 0 0 51 1,-0.1 3,-1.3 88,-0.0 2,-0.3 -0.629 360.0-119.8 -94.2 138.8 19.5 -21.4 -5.8 3 7 A V T 3 S+ 0 0 96 -2,-0.3 86,-0.2 1,-0.2 3,-0.1 -0.556 101.1 29.2 -68.5 134.0 18.1 -19.2 -3.1 4 8 A G T 3 S+ 0 0 34 84,-3.3 2,-0.3 1,-0.3 -1,-0.2 0.373 84.7 141.1 94.2 -2.5 19.5 -20.1 0.3 5 9 A E < - 0 0 78 -3,-1.3 83,-2.1 83,-0.2 -1,-0.3 -0.627 36.8-153.3 -76.2 132.6 22.8 -21.3 -1.1 6 10 A R E -A 87 0A 150 -2,-0.3 2,-0.4 81,-0.2 81,-0.2 -0.771 18.7-175.7-117.3 143.7 25.8 -20.4 1.0 7 11 A F E -A 86 0A 54 79,-2.3 79,-3.0 -2,-0.3 2,-0.4 -1.000 9.6-158.7-132.8 134.0 29.6 -19.7 0.5 8 12 A T E -A 85 0A 65 -2,-0.4 2,-0.4 77,-0.2 77,-0.2 -0.943 4.5-168.9-116.4 154.1 32.2 -19.0 3.2 9 13 A H E -A 84 0A 7 75,-2.0 75,-2.7 -2,-0.4 2,-0.4 -0.987 7.8-153.8-134.9 128.2 35.5 -17.2 2.7 10 14 A D E +A 83 0A 104 -2,-0.4 2,-0.3 73,-0.2 73,-0.2 -0.915 15.4 176.9-114.0 141.6 38.4 -17.1 5.2 11 15 A F E -A 82 0A 29 71,-2.1 71,-3.5 -2,-0.4 2,-0.4 -0.920 24.0-142.2-146.3 115.5 40.9 -14.3 5.2 12 16 A V E -A 81 0A 84 -2,-0.3 69,-0.2 69,-0.3 68,-0.1 -0.633 32.9-120.9 -74.9 124.5 43.7 -13.6 7.6 13 17 A V - 0 0 1 67,-2.6 66,-2.8 -2,-0.4 67,-0.1 -0.589 28.9-158.0 -77.2 117.6 44.0 -9.8 8.1 14 18 A P > - 0 0 24 0, 0.0 3,-1.5 0, 0.0 66,-0.0 -0.419 32.2-103.6 -88.7 169.2 47.4 -8.4 7.2 15 19 A P G > S+ 0 0 84 0, 0.0 3,-0.7 0, 0.0 6,-0.2 0.774 116.7 62.8 -56.2 -32.8 48.9 -5.1 8.4 16 20 A H G 3 S+ 0 0 90 1,-0.2 -3,-0.0 4,-0.1 20,-0.0 0.242 88.2 68.9 -86.3 11.6 48.1 -3.5 5.0 17 21 A K G < S+ 0 0 4 -3,-1.5 20,-2.1 17,-0.1 -1,-0.2 0.089 76.6 109.4-109.8 24.1 44.3 -3.8 5.3 18 22 A T B X> S-J 36 0B 0 -3,-0.7 4,-0.7 18,-0.2 3,-0.6 -0.257 88.5 -90.2 -92.9-179.2 43.9 -1.3 8.1 19 23 A V H >> S+ 0 0 17 16,-0.9 3,-1.2 14,-0.6 4,-1.0 0.902 122.7 58.2 -62.3 -47.0 42.3 2.1 7.9 20 24 A R H 34 S+ 0 0 78 1,-0.2 6,-0.3 13,-0.2 -1,-0.2 0.821 105.8 53.7 -47.6 -33.5 45.6 4.0 7.0 21 25 A H H <4 S+ 0 0 62 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.673 93.5 64.9 -86.6 -19.1 45.9 1.7 3.9 22 26 A L H << S+ 0 0 5 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.941 125.2 15.1 -67.2 -47.1 42.5 2.3 2.3 23 27 A Y >< + 0 0 1 -4,-1.0 3,-1.8 3,-0.1 -1,-0.3 -0.758 65.1 171.1-124.9 84.6 43.5 5.9 1.7 24 28 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.662 80.3 69.0 -62.7 -8.6 47.3 6.3 2.2 25 29 A E T 3 S+ 0 0 69 -3,-0.1 3,-0.1 1,-0.1 -4,-0.1 0.462 79.9 94.1 -87.6 3.8 46.6 9.8 0.8 26 30 A S <> - 0 0 4 -3,-1.8 4,-1.2 -6,-0.3 3,-0.4 -0.835 47.9-175.0-106.0 111.0 44.6 10.9 3.9 27 31 A P T 4 S+ 0 0 96 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.855 91.3 61.8 -61.0 -34.8 46.5 12.8 6.7 28 32 A E T 4 S+ 0 0 78 1,-0.2 3,-0.3 2,-0.1 -8,-0.1 0.793 108.9 37.2 -59.8 -37.8 43.2 12.5 8.5 29 33 A F T >4 S+ 0 0 4 -3,-0.4 3,-1.9 -6,-0.2 -1,-0.2 0.654 91.9 93.1 -84.9 -21.4 43.2 8.7 8.5 30 34 A A T 3< S+ 0 0 52 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.635 88.5 43.6 -59.8 -22.6 47.0 8.3 9.1 31 35 A E T 3 S+ 0 0 181 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.157 86.4 127.1-110.8 36.2 46.8 8.1 13.0 32 36 A F S < S- 0 0 31 -3,-1.9 -12,-0.2 1,-0.1 166,-0.1 -0.567 72.0 -84.0 -81.2 156.8 43.8 5.7 13.1 33 37 A P - 0 0 8 0, 0.0 2,-2.4 0, 0.0 -14,-0.6 -0.249 45.4-107.0 -56.8 146.1 43.9 2.5 15.2 34 38 A E S S+ 0 0 78 -16,-0.1 2,-0.3 -15,-0.1 -17,-0.1 -0.420 74.7 132.7 -78.5 63.8 45.4 -0.5 13.3 35 39 A V - 0 0 8 -2,-2.4 -16,-0.9 42,-0.2 2,-0.1 -0.849 68.4 -81.1-121.1 155.0 42.1 -2.2 12.7 36 40 A F B -J 18 0B 1 40,-2.3 -18,-0.2 -2,-0.3 40,-0.2 -0.313 54.9-119.3 -59.2 120.2 40.5 -3.8 9.7 37 41 A A >> - 0 0 3 -20,-2.1 4,-2.2 -2,-0.1 3,-0.5 -0.308 4.9-130.9 -72.0 146.4 38.9 -1.0 7.6 38 42 A T H 3> S+ 0 0 13 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.924 110.8 53.0 -58.7 -46.6 35.2 -0.9 6.8 39 43 A G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.800 111.0 48.2 -58.0 -30.4 35.8 -0.4 3.1 40 44 A F H <> S+ 0 0 9 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.827 109.3 50.7 -79.4 -34.2 38.1 -3.5 3.2 41 45 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.880 109.4 52.8 -68.0 -38.2 35.5 -5.6 5.0 42 46 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.972 109.5 49.1 -56.4 -51.6 33.1 -4.4 2.3 43 47 A G H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.884 110.7 49.2 -55.9 -43.2 35.6 -5.6 -0.3 44 48 A L H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.877 112.1 48.5 -65.5 -38.1 36.0 -9.0 1.4 45 49 A M H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.927 112.6 48.0 -69.7 -45.3 32.2 -9.5 1.6 46 50 A E H >X S+ 0 0 16 -4,-2.8 4,-2.5 1,-0.2 3,-1.1 0.959 108.0 56.1 -54.8 -54.1 31.7 -8.5 -2.1 47 51 A W H 3X S+ 0 0 21 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.812 102.5 54.8 -46.0 -44.8 34.5 -10.9 -3.1 48 52 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.3 0.840 111.0 45.8 -56.7 -37.2 32.7 -13.9 -1.4 49 53 A C H < S+ 0 0 3 -4,-2.3 3,-2.9 1,-0.2 4,-0.3 0.781 91.0 91.1 -77.8 -24.4 28.2 -16.5 -8.4 54 58 A A G >< S+ 0 0 50 -4,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.823 82.4 50.1 -43.2 -53.1 31.2 -17.1 -10.6 55 59 A P G 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.496 105.9 60.3 -78.6 9.2 30.3 -20.6 -11.9 56 60 A Y G < S+ 0 0 101 -3,-2.9 2,-0.3 2,-0.1 -2,-0.2 0.395 84.6 101.5-102.4 -0.7 26.8 -19.3 -12.8 57 61 A L < - 0 0 51 -3,-2.1 3,-0.1 -4,-0.3 6,-0.0 -0.693 68.4-129.9 -92.9 137.2 28.0 -16.7 -15.3 58 62 A E > - 0 0 122 -2,-0.3 3,-2.4 1,-0.1 -2,-0.1 -0.513 48.3 -77.4 -76.0 146.2 27.9 -17.0 -19.1 59 63 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.162 122.6 19.0 -45.1 133.4 31.2 -16.2 -21.0 60 64 A G T 3 S+ 0 0 33 1,-0.3 61,-1.9 -3,-0.1 62,-0.4 0.562 98.5 118.9 72.4 8.9 31.5 -12.4 -21.2 61 65 A E E < +B 120 0A 72 -3,-2.4 -1,-0.3 59,-0.2 59,-0.2 -0.868 34.0 163.1 -94.3 140.5 29.1 -11.8 -18.3 62 66 A G E -B 119 0A 8 57,-2.1 57,-2.4 -2,-0.4 2,-0.3 -0.581 22.4-133.1-129.0-156.8 30.4 -10.1 -15.3 63 67 A S E -B 118 0A 6 55,-0.3 2,-0.3 -2,-0.2 55,-0.2 -0.985 5.8-151.1-161.8 149.6 28.7 -8.4 -12.3 64 68 A L E -B 117 0A 30 53,-1.8 53,-2.3 -2,-0.3 2,-0.4 -0.964 27.2-112.2-124.9 148.2 28.8 -5.2 -10.2 65 69 A G E +B 116 0A 8 -2,-0.3 51,-0.3 51,-0.2 3,-0.1 -0.639 31.1 177.6 -70.7 125.9 27.9 -4.4 -6.6 66 70 A T E + 0 0 31 49,-2.5 140,-2.7 -2,-0.4 2,-0.3 0.513 62.5 11.6-108.9 -8.2 24.9 -2.1 -6.5 67 71 A A E -BC 115 205A 5 48,-1.5 48,-2.3 138,-0.3 2,-0.4 -0.941 49.4-170.1-164.8 150.2 24.4 -1.8 -2.8 68 72 A I E +BC 114 204A 0 136,-3.0 136,-3.0 -2,-0.3 2,-0.4 -0.989 10.1 169.7-143.6 129.4 26.0 -2.5 0.6 69 73 A a E +BC 113 203A 4 44,-2.6 44,-2.5 -2,-0.4 2,-0.3 -0.877 24.6 136.8-141.3 101.7 24.2 -2.2 3.9 70 74 A V E -BC 112 202A 3 132,-2.9 132,-2.5 -2,-0.4 2,-0.3 -0.966 45.4-126.5-145.0 158.1 26.1 -3.6 6.9 71 75 A T E - 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