==== 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 29-NOV-09 3KV7 . 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 . 266 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 75.2 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 . 92 34.6 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 . 4 1.5 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 19.5 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 3 0 0 0 0 1 1 0 0 0 0 0 2 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 0 0 0 1 0 2 0 6 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 1 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 96 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 70.2 19.0 -10.0 37.5 2 6 A R > - 0 0 50 1,-0.1 3,-2.2 86,-0.0 86,-0.3 -0.776 360.0 -84.0 -99.3 154.3 16.5 -9.4 40.3 3 7 A V T 3 S+ 0 0 97 -2,-0.3 86,-0.2 1,-0.2 3,-0.1 -0.302 119.8 29.4 -48.4 128.4 13.2 -7.6 40.0 4 8 A G T 3 S+ 0 0 36 84,-2.7 -1,-0.2 1,-0.4 85,-0.1 0.162 87.9 132.4 95.7 -10.5 13.9 -3.8 40.3 5 9 A E < - 0 0 108 -3,-2.2 83,-2.6 82,-0.1 -1,-0.4 -0.423 48.6-140.0 -72.2 142.2 17.4 -4.1 38.9 6 10 A R E -A 87 0A 164 81,-0.2 2,-0.4 -3,-0.1 81,-0.2 -0.835 15.4-170.2-109.0 136.1 18.3 -1.6 36.2 7 11 A F E -A 86 0A 64 79,-1.8 79,-2.8 -2,-0.3 2,-0.3 -0.998 11.7-155.6-127.0 139.6 20.3 -2.2 33.1 8 12 A T E -A 85 0A 69 -2,-0.4 2,-0.4 77,-0.2 77,-0.2 -0.911 10.9-174.2-125.2 146.6 21.6 0.7 30.8 9 13 A H E -A 84 0A 8 75,-2.4 75,-3.0 -2,-0.3 2,-0.3 -0.991 9.5-155.5-140.9 125.0 22.4 0.9 27.2 10 14 A D E +A 83 0A 104 -2,-0.4 2,-0.3 73,-0.2 73,-0.2 -0.804 13.9 174.5-109.9 137.1 23.9 3.9 25.3 11 15 A F E -A 82 0A 24 71,-2.0 71,-3.1 -2,-0.3 2,-0.5 -0.896 25.8-142.3-147.6 117.8 23.7 4.6 21.6 12 16 A V E -A 81 0A 87 -2,-0.3 69,-0.3 69,-0.3 68,-0.1 -0.655 34.2-122.0 -74.5 124.2 24.8 7.6 19.5 13 17 A V - 0 0 2 67,-3.0 66,-2.8 -2,-0.5 67,-0.1 -0.573 28.3-156.2 -71.9 117.9 22.1 8.1 16.9 14 18 A P > - 0 0 24 0, 0.0 3,-1.6 0, 0.0 66,-0.1 -0.428 32.1-100.8 -86.1 167.8 23.6 7.9 13.4 15 19 A P G > S+ 0 0 84 0, 0.0 3,-0.7 0, 0.0 6,-0.2 0.769 117.1 64.8 -56.8 -22.9 22.1 9.6 10.3 16 20 A H G 3 S+ 0 0 90 1,-0.2 -3,-0.0 5,-0.1 20,-0.0 0.180 85.8 71.9 -96.8 18.3 20.6 6.2 9.1 17 21 A K G < S+ 0 0 4 -3,-1.6 20,-1.9 4,-0.0 -1,-0.2 0.036 74.7 110.7-113.7 26.8 18.3 5.8 12.1 18 22 A T B X> S-J 36 0B 0 -3,-0.7 4,-1.2 18,-0.2 3,-1.1 -0.408 86.1 -92.3 -95.1 171.7 15.8 8.4 11.0 19 23 A V H >> S+ 0 0 21 16,-1.5 4,-1.2 14,-0.4 3,-1.0 0.899 121.5 54.9 -50.7 -50.0 12.4 7.9 9.8 20 24 A R H 34 S+ 0 0 76 12,-0.3 -1,-0.2 1,-0.2 6,-0.2 0.795 105.4 56.2 -62.4 -18.1 13.1 7.7 6.1 21 25 A H H <4 S+ 0 0 81 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.732 96.7 63.1 -85.5 -18.6 15.6 4.9 6.8 22 26 A L H << S+ 0 0 4 -4,-1.2 -2,-0.2 -3,-1.0 -1,-0.2 0.956 124.3 13.2 -68.8 -42.1 13.0 2.7 8.5 23 27 A Y >< + 0 0 1 -4,-1.2 3,-1.8 1,-0.1 -1,-0.3 -0.730 62.4 167.8-132.9 83.6 11.0 2.5 5.4 24 28 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.753 80.9 68.0 -63.8 -20.4 12.9 3.7 2.3 25 29 A E T 3 S+ 0 0 63 -3,-0.1 3,-0.1 -4,-0.1 -4,-0.1 0.463 82.2 92.0 -67.4 -8.8 10.0 2.0 0.4 26 30 A S X> - 0 0 1 -3,-1.8 3,-1.3 -6,-0.2 4,-0.8 -0.804 47.3-179.0-103.3 104.8 7.6 4.7 1.7 27 31 A P G >4 S+ 0 0 93 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.885 89.6 65.2 -64.0 -32.3 7.1 7.7 -0.4 28 32 A E G 34 S+ 0 0 90 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.757 111.2 33.7 -54.9 -30.6 4.8 8.8 2.3 29 33 A F G X4 S+ 0 0 14 -3,-1.3 3,-1.7 -6,-0.3 -1,-0.2 0.404 91.1 101.7 -97.4 -5.7 8.0 9.0 4.8 30 34 A A T << S+ 0 0 43 -3,-1.1 -2,-0.1 -4,-0.8 -1,-0.1 0.755 88.1 32.0 -59.3 -36.9 10.7 10.1 2.2 31 35 A E T 3 S+ 0 0 168 -4,-0.4 -1,-0.3 -3,-0.1 3,-0.1 0.131 87.7 135.7-104.8 16.1 10.9 13.8 3.0 32 36 A F < - 0 0 27 -3,-1.7 -12,-0.3 1,-0.1 -3,-0.1 -0.362 68.2 -85.5 -69.7 149.1 10.2 13.5 6.8 33 37 A P - 0 0 6 0, 0.0 2,-1.9 0, 0.0 -14,-0.4 -0.088 48.9-103.0 -51.6 148.8 12.4 15.5 9.2 34 38 A E S S+ 0 0 67 -16,-0.1 2,-0.3 -15,-0.1 -16,-0.1 -0.593 70.6 135.7 -84.7 77.5 15.5 13.7 10.1 35 39 A V - 0 0 7 -2,-1.9 -16,-1.5 42,-0.2 2,-0.1 -0.937 66.4 -84.3-129.1 153.5 14.7 12.4 13.6 36 40 A F B -J 18 0B 2 40,-2.8 -18,-0.2 -2,-0.3 40,-0.2 -0.369 54.6-122.3 -56.4 122.0 15.1 9.1 15.4 37 41 A A > - 0 0 4 -20,-1.9 4,-2.6 -2,-0.1 3,-0.4 -0.390 7.3-125.2 -71.3 146.7 12.1 6.9 14.3 38 42 A T H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 112.8 56.1 -53.1 -44.4 9.7 5.4 16.9 39 43 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 108.3 47.0 -61.9 -33.4 10.4 2.0 15.4 40 44 A F H > S+ 0 0 7 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.882 109.7 52.8 -72.9 -35.5 14.1 2.4 15.9 41 45 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.929 110.3 49.7 -60.0 -42.6 13.5 3.6 19.5 42 46 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.943 110.2 49.1 -59.8 -42.8 11.5 0.4 20.1 43 47 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.907 110.9 50.7 -70.0 -34.5 14.2 -1.7 18.6 44 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.876 110.4 48.9 -66.6 -37.1 16.8 0.0 20.9 45 49 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.903 112.7 48.0 -67.0 -43.6 14.7 -0.6 23.9 46 50 A E H X S+ 0 0 14 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.916 109.0 53.9 -62.1 -43.7 14.2 -4.2 23.0 47 51 A W H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.901 106.7 52.4 -56.4 -42.1 18.0 -4.5 22.4 48 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.925 112.2 45.5 -58.2 -43.4 18.6 -3.2 25.9 49 53 A C H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.889 109.9 53.2 -72.5 -36.8 16.3 -5.9 27.4 50 54 A V H X S+ 0 0 13 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.919 110.6 47.9 -61.9 -42.8 17.8 -8.7 25.3 51 55 A R H >< S+ 0 0 102 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.911 111.4 52.3 -66.2 -37.7 21.3 -7.7 26.6 52 56 A A H 3< S+ 0 0 17 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.866 114.3 40.8 -66.6 -33.2 19.8 -7.7 30.2 53 57 A M H >X S+ 0 0 1 -4,-2.1 3,-2.2 1,-0.2 4,-0.6 0.465 79.4 104.8 -96.6 1.6 18.3 -11.1 30.0 54 58 A A G X< S+ 0 0 53 -3,-0.8 3,-1.5 -4,-0.7 -1,-0.2 0.864 77.5 58.0 -55.1 -35.3 21.1 -13.0 28.2 55 59 A P G 34 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.678 99.1 60.4 -64.1 -19.9 22.2 -14.8 31.4 56 60 A Y G <4 S+ 0 0 81 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.2 0.666 85.6 93.5 -77.5 -19.7 18.7 -16.3 31.8 57 61 A L << - 0 0 52 -3,-1.5 3,-0.1 -4,-0.6 6,-0.0 -0.515 64.3-147.0 -78.9 146.8 18.8 -18.2 28.5 58 62 A E > - 0 0 126 -2,-0.2 3,-2.4 1,-0.1 -2,-0.1 -0.649 45.5 -70.5 -99.7 163.6 19.9 -21.9 28.4 59 63 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.295 124.9 28.2 -57.9 133.8 21.8 -23.2 25.3 60 64 A G T 3 S+ 0 0 27 1,-0.4 61,-2.2 -3,-0.1 62,-0.5 0.369 102.8 109.3 103.5 -11.1 19.5 -23.5 22.4 61 65 A E E < +B 120 0A 65 -3,-2.4 -1,-0.4 59,-0.2 59,-0.2 -0.692 32.2 158.5-104.7 157.1 17.2 -20.7 23.6 62 66 A G E -B 119 0A 9 57,-2.8 57,-2.3 -2,-0.3 2,-0.3 -0.702 29.3-113.9-143.8-153.2 16.5 -17.2 22.5 63 67 A S E -B 118 0A 7 55,-0.3 2,-0.4 -2,-0.2 55,-0.2 -0.992 9.1-150.6-152.6 155.0 13.7 -14.7 23.0 64 68 A L E -B 117 0A 39 53,-2.3 53,-2.4 -2,-0.3 2,-0.5 -0.951 26.8-119.0-120.1 143.3 10.9 -12.8 21.2 65 69 A G E +B 116 0A 11 -2,-0.4 51,-0.3 51,-0.2 3,-0.1 -0.711 30.7 178.8 -74.8 127.7 9.4 -9.4 22.0 66 70 A T E + 0 0 48 49,-2.4 140,-2.3 -2,-0.5 2,-0.3 0.459 61.0 9.9-112.8 -14.5 5.7 -10.1 22.7 67 71 A A E -BC 115 205A 15 48,-1.2 48,-2.0 138,-0.3 2,-0.4 -0.921 51.2-170.8-162.6 149.9 4.4 -6.5 23.6 68 72 A I E +BC 114 204A 1 136,-2.6 136,-2.7 -2,-0.3 2,-0.3 -0.990 7.9 172.9-141.1 129.7 5.6 -2.9 23.5 69 73 A a E +BC 113 203A 42 44,-2.7 44,-2.3 -2,-0.4 2,-0.3 -0.781 25.6 138.6-143.1 98.8 3.7 -0.1 25.1 70 74 A V E -BC 112 202A 5 132,-2.2 132,-2.6 -2,-0.3 2,-0.3 -0.894 43.6-129.1-140.3 159.4 5.6 3.2 25.1 71 75 A T E - C 0 201A 54 40,-2.2 2,-0.4 -2,-0.3 130,-0.3 -0.735 10.9-150.6 -99.3 158.7 5.3 6.9 24.6 72 76 A H + 0 0 20 128,-2.6 38,-0.3 -2,-0.3 37,-0.1 -0.900 26.5 166.3-133.3 104.6 7.5 9.0 22.3 73 77 A T + 0 0 93 36,-2.0 2,-0.3 -2,-0.4 37,-0.2 0.518 54.5 23.8-110.0 -11.4 7.6 12.4 23.9 74 78 A A S S- 0 0 25 35,-0.9 2,-0.2 33,-0.1 -1,-0.2 -0.990 75.1-112.4-154.3 158.4 10.4 14.4 22.3 75 79 A A - 0 0 22 -2,-0.3 32,-0.1 -3,-0.1 29,-0.1 -0.644 20.5-157.6-102.3 146.1 12.4 14.3 19.0 76 80 A T - 0 0 0 -40,-0.2 -40,-2.8 -2,-0.2 3,-0.1 -0.972 2.7-157.0-129.3 116.4 16.1 13.4 18.6 77 81 A P > - 0 0 0 0, 0.0 3,-1.2 0, 0.0 -64,-0.2 -0.512 44.1 -77.2 -81.1 163.3 18.2 14.4 15.6 78 82 A P T 3 S+ 0 0 28 0, 0.0 3,-0.1 0, 0.0 -66,-0.0 -0.233 112.5 46.0 -56.2 144.9 21.4 12.4 14.7 79 83 A G T 3 S+ 0 0 38 -66,-2.8 2,-0.1 1,-0.5 187,-0.0 0.016 83.0 106.0 110.7 -28.9 24.4 13.0 16.9 80 84 A L S < S- 0 0 24 -3,-1.2 -67,-3.0 -67,-0.1 2,-0.6 -0.518 71.7-118.3 -81.0 153.5 22.8 12.8 20.4 81 85 A T E -A 12 0A 55 23,-0.5 2,-0.6 -69,-0.3 -69,-0.3 -0.865 20.8-153.7 -92.7 119.4 23.3 9.8 22.7 82 86 A V E -A 11 0A 0 -71,-3.1 -71,-2.0 -2,-0.6 2,-0.5 -0.891 9.2-162.7 -90.7 123.7 20.1 7.9 23.6 83 87 A T E -AD 10 103A 42 20,-2.8 20,-1.6 -2,-0.6 2,-0.5 -0.944 2.4-159.7-103.4 121.7 20.4 6.1 26.9 84 88 A V E -AD 9 102A 0 -75,-3.0 -75,-2.4 -2,-0.5 2,-0.5 -0.914 1.5-160.8 -99.6 134.5 17.9 3.4 27.5 85 89 A T E -AD 8 101A 24 16,-2.5 16,-2.3 -2,-0.5 2,-0.5 -0.975 4.5-165.5-110.6 124.3 17.3 2.2 31.1 86 90 A A E -AD 7 100A 1 -79,-2.8 -79,-1.8 -2,-0.5 2,-0.6 -0.973 2.7-167.5-113.0 116.5 15.5 -1.3 31.4 87 91 A E E -AD 6 99A 43 12,-3.2 12,-2.6 -2,-0.5 -81,-0.2 -0.893 24.7-124.8-107.9 118.5 14.1 -2.0 34.9 88 92 A L E + D 0 98A 4 -83,-2.6 -84,-2.7 -2,-0.6 10,-0.3 -0.476 33.5 173.4 -67.5 124.8 13.2 -5.6 35.4 89 93 A R E - 0 0 119 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.762 60.8 -1.7-101.1 -30.3 9.6 -5.9 36.5 90 94 A S E - D 0 97A 54 7,-1.7 7,-2.2 -88,-0.1 -1,-0.4 -0.985 46.9-172.9-163.7 141.4 8.8 -9.6 36.4 91 95 A V E + D 0 96A 48 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.962 20.8 154.0-136.8 122.6 10.5 -12.9 35.5 92 96 A E E > - D 0 95A 68 3,-2.7 3,-2.5 -2,-0.4 2,-0.3 -0.734 64.4 -59.3-152.9 106.1 8.4 -16.1 35.6 93 97 A G T 3 S- 0 0 53 1,-0.3 -1,-0.1 -2,-0.3 25,-0.0 -0.461 122.4 -9.1 61.6-126.5 9.4 -19.1 33.5 94 98 A R T 3 S+ 0 0 54 -2,-0.3 24,-2.5 -3,-0.1 2,-0.5 0.496 120.4 88.5 -78.3 -9.0 9.4 -18.1 29.9 95 99 A R E < +DE 92 117A 54 -3,-2.5 -3,-2.7 22,-0.2 2,-0.4 -0.818 47.6 170.5-105.7 129.6 7.9 -14.6 30.5 96 100 A L E -DE 91 116A 3 20,-2.4 20,-2.8 -2,-0.5 2,-0.3 -0.981 7.7-171.7-132.7 147.5 9.9 -11.5 31.3 97 101 A S E -DE 90 115A 18 -7,-2.2 -8,-3.0 -2,-0.4 -7,-1.7 -0.990 2.5-175.3-140.1 143.6 8.7 -7.8 31.6 98 102 A W E -DE 88 114A 4 16,-2.5 16,-2.3 -2,-0.3 2,-0.6 -0.964 28.1-128.6-130.4 156.6 10.6 -4.5 32.0 99 103 A R E -DE 87 113A 81 -12,-2.6 -12,-3.2 -2,-0.3 2,-0.3 -0.924 37.6-164.5 -91.9 128.0 9.8 -0.8 32.4 100 104 A V E +DE 86 112A 0 12,-2.5 12,-2.7 -2,-0.6 2,-0.3 -0.883 13.8 175.1-112.7 145.1 11.9 0.9 29.7 101 105 A S E -DE 85 111A 19 -16,-2.3 -16,-2.5 -2,-0.3 2,-0.3 -0.978 9.7-160.8-145.9 153.3 12.7 4.6 29.5 102 106 A A E -DE 84 110A 1 8,-2.5 7,-2.8 -2,-0.3 8,-1.3 -0.992 7.7-179.5-136.7 145.0 14.9 6.6 27.1 103 107 A H E -DE 83 108A 60 -20,-1.6 -20,-2.8 -2,-0.3 5,-0.2 -0.990 20.6-149.6-140.9 146.1 16.6 10.0 27.3 104 108 A D - 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