==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUL-01 1JKE . COMPND 2 MOLECULE: D-TYR-TRNATYR DEACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.L.FERRI-FIONI,E.SCHMITT,J.SOUTOURINA,P.PLATEAU,Y.MECHULAM, . 580 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 29.0 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 80 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0 0 0 0 0 0 0 0 0 4 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 0 4 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 4 0 0 4 0 4 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 0 2 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 1 A M 0 0 0 0, 0.0 144,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.2 -14.1 68.0 68.3 2 2 A I E -AB 32 144A 2 30,-2.8 30,-2.7 142,-0.2 2,-0.5 -0.915 360.0-172.3-118.1 139.4 -17.4 68.4 66.5 3 3 A A E -AB 31 143A 0 140,-3.3 140,-2.6 -2,-0.4 2,-0.9 -0.938 3.2-170.2-129.4 105.2 -19.1 66.1 64.0 4 4 A L E -AB 30 142A 0 26,-2.5 26,-2.6 -2,-0.5 2,-0.4 -0.883 23.1-166.7 -94.3 108.9 -22.2 67.5 62.4 5 5 A I E -AB 29 141A 1 136,-2.8 136,-2.3 -2,-0.9 2,-0.4 -0.811 17.4-170.0-107.7 142.5 -23.6 64.4 60.7 6 6 A Q E -AB 28 140A 0 22,-2.0 22,-2.4 -2,-0.4 2,-0.4 -0.997 24.5-128.7-128.2 129.6 -26.3 64.1 58.1 7 7 A R E -A 27 0A 18 132,-2.4 129,-2.5 -2,-0.4 132,-0.4 -0.662 40.1-172.5 -75.6 128.6 -27.8 60.8 57.0 8 8 A V E -AB 26 135A 3 18,-2.7 18,-2.1 -2,-0.4 127,-0.2 -0.864 43.5-154.7-128.9 160.6 -27.6 60.7 53.2 9 9 A T E S- 0 0 57 125,-1.8 2,-0.3 1,-0.5 126,-0.1 0.605 94.9 -9.6 -97.0 -20.0 -28.7 58.6 50.2 10 10 A R E - B 0 134A 103 124,-0.6 124,-1.9 16,-0.1 -1,-0.5 -0.950 65.1-179.2-169.9 153.6 -25.6 60.0 48.4 11 11 A A E +CB 23 133A 2 12,-2.1 12,-3.1 -2,-0.3 2,-0.3 -0.954 2.6 177.5-161.3 144.2 -23.0 62.7 48.8 12 12 A S E -CB 22 132A 16 120,-3.1 120,-2.4 -2,-0.3 2,-0.4 -0.990 16.9-147.3-149.1 154.2 -20.1 64.1 46.9 13 13 A V E -CB 21 131A 0 8,-2.8 7,-2.6 -2,-0.3 8,-1.2 -0.992 13.4-163.6-125.9 129.5 -17.4 66.7 47.2 14 14 A T E -CB 19 130A 33 116,-2.3 116,-2.1 -2,-0.4 2,-0.5 -0.930 4.6-166.7-114.7 138.5 -16.0 68.5 44.1 15 15 A V E > S-C 18 0A 15 3,-2.6 3,-1.3 -2,-0.4 114,-0.1 -0.974 82.4 -13.9-125.2 111.9 -12.9 70.6 44.2 16 16 A E T 3 S- 0 0 173 -2,-0.5 -1,-0.1 112,-0.4 3,-0.1 0.829 130.1 -54.6 65.5 32.8 -12.4 72.7 41.1 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 113,-0.0 -1,-0.3 0.175 116.0 106.5 90.3 -19.4 -15.2 70.8 39.3 18 18 A E E < S-C 15 0A 95 -3,-1.3 -3,-2.6 1,-0.0 2,-0.5 -0.772 76.0-113.5 -98.2 140.8 -13.7 67.3 39.8 19 19 A V E +C 14 0A 62 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.578 36.2 170.9 -72.4 120.8 -15.1 64.8 42.2 20 20 A T E S+ 0 0 37 -7,-2.6 102,-0.4 -2,-0.5 2,-0.3 0.509 71.1 15.9-106.3 -10.5 -12.6 64.2 45.0 21 21 A G E +C 13 0A 0 -8,-1.2 -8,-2.8 100,-0.1 -1,-0.4 -0.921 66.8 169.1-162.5 135.3 -14.9 62.2 47.2 22 22 A E E +C 12 0A 34 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.957 2.2 173.7-156.8 135.1 -18.2 60.4 46.6 23 23 A I E -C 11 0A 6 -12,-3.1 -12,-2.1 -2,-0.3 3,-0.1 -0.890 21.2-142.9-135.7 165.3 -20.5 58.0 48.4 24 24 A G S S- 0 0 20 1,-0.4 -1,-0.2 -2,-0.3 -16,-0.1 0.291 75.7 -4.6 -95.7-131.2 -23.9 56.4 48.1 25 25 A A S S+ 0 0 48 -15,-0.1 47,-2.5 -16,-0.1 -1,-0.4 -0.263 101.1 68.8 -63.9 146.9 -25.9 55.8 51.3 26 26 A G E S-Ad 8 72A 0 -18,-2.1 -18,-2.7 45,-0.3 2,-0.4 -0.985 82.5 -33.6 151.4-137.0 -24.3 56.6 54.6 27 27 A L E -Ad 7 73A 0 45,-2.4 47,-2.7 -2,-0.3 2,-0.6 -0.977 28.6-149.3-130.6 139.6 -23.2 59.7 56.5 28 28 A L E -Ad 6 74A 1 -22,-2.4 -22,-2.0 -2,-0.4 2,-0.6 -0.940 25.6-161.6-100.2 121.2 -21.8 63.1 55.5 29 29 A V E -Ad 5 75A 0 45,-3.5 47,-2.8 -2,-0.6 2,-0.7 -0.926 10.2-163.8-111.0 112.0 -19.6 64.1 58.4 30 30 A L E -Ad 4 76A 0 -26,-2.6 -26,-2.5 -2,-0.6 2,-0.5 -0.865 20.3-155.7 -91.9 118.3 -18.7 67.7 58.6 31 31 A L E -Ad 3 77A 2 45,-2.6 47,-3.1 -2,-0.7 2,-0.6 -0.871 14.4-169.0-106.9 126.0 -15.8 67.7 61.1 32 32 A G E -A 2 0A 0 -30,-2.7 -30,-2.8 -2,-0.5 2,-0.5 -0.940 11.2-152.7-114.2 115.1 -14.7 70.7 63.2 33 33 A V - 0 0 14 -2,-0.6 64,-1.7 -32,-0.2 2,-0.2 -0.743 13.9-151.4 -88.8 129.3 -11.4 70.5 65.0 34 34 A E B > -L 96 0B 40 -2,-0.5 3,-2.1 62,-0.2 62,-0.2 -0.640 26.3-104.3-101.4 158.0 -11.1 72.5 68.2 35 35 A K T 3 S+ 0 0 133 60,-1.9 63,-0.2 1,-0.3 61,-0.1 0.822 117.3 39.2 -44.6 -46.9 -8.1 74.1 69.8 36 36 A D T 3 S+ 0 0 126 59,-0.2 -1,-0.3 61,-0.1 60,-0.0 0.167 86.6 128.3 -97.4 19.6 -7.7 71.5 72.6 37 37 A D < + 0 0 18 -3,-2.1 2,-0.3 4,-0.1 68,-0.1 -0.306 29.8 174.6 -72.3 159.4 -8.5 68.3 70.6 38 38 A D > - 0 0 68 67,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.891 49.4 -86.7-151.1 176.6 -6.3 65.3 70.6 39 39 A E H > S+ 0 0 113 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.840 123.4 60.3 -60.8 -34.0 -6.3 61.7 69.2 40 40 A Q H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 109.6 41.4 -59.3 -47.8 -8.2 60.5 72.3 41 41 A K H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 113.0 53.3 -66.2 -45.4 -11.1 62.8 71.6 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.900 109.1 51.8 -55.7 -41.6 -11.0 62.1 67.8 43 43 A N H X S+ 0 0 38 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.927 110.4 45.6 -61.5 -48.6 -11.2 58.4 68.7 44 44 A R H X S+ 0 0 103 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.895 113.3 50.2 -64.4 -39.6 -14.2 58.8 70.9 45 45 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.935 110.4 49.8 -64.0 -45.4 -16.0 61.0 68.4 46 46 A C H X S+ 0 0 4 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.924 110.4 51.7 -57.3 -45.7 -15.3 58.5 65.6 47 47 A E H X S+ 0 0 96 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.925 111.9 45.4 -56.8 -48.5 -16.7 55.8 67.9 48 48 A R H X S+ 0 0 7 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.907 112.7 50.6 -64.6 -43.4 -19.9 57.7 68.5 49 49 A V H >< S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.2 17,-0.4 0.941 113.4 44.2 -60.8 -49.0 -20.4 58.6 64.9 50 50 A L H 3< S+ 0 0 0 -4,-2.6 17,-0.8 1,-0.2 -1,-0.2 0.704 118.0 45.2 -71.5 -19.2 -20.0 55.1 63.6 51 51 A G H 3< S+ 0 0 10 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.2 0.474 77.9 124.4-102.3 -3.1 -22.2 53.6 66.3 52 52 A Y << - 0 0 1 -4,-1.0 2,-1.8 -3,-0.7 14,-0.4 -0.420 59.9-137.5 -63.4 119.3 -25.0 56.1 66.2 53 53 A R + 0 0 87 474,-1.9 12,-0.3 -2,-0.3 -1,-0.1 -0.525 61.9 121.1 -81.7 79.2 -28.2 54.2 65.7 54 54 A I + 0 0 0 -2,-1.8 2,-0.4 10,-0.6 -1,-0.2 0.193 42.4 98.0-125.7 15.6 -30.0 56.3 63.1 55 55 A F E S-M 64 0C 17 9,-2.8 9,-2.1 -3,-0.2 8,-1.4 -0.879 77.7-104.6-109.0 139.9 -30.4 54.0 60.1 56 56 A S E -M 62 0C 62 -2,-0.4 6,-0.2 6,-0.2 -2,-0.1 -0.281 30.3-137.2 -62.5 139.8 -33.7 52.1 59.4 57 57 A D > - 0 0 29 4,-1.9 3,-1.0 1,-0.1 -1,-0.1 -0.066 44.4 -79.6 -81.0-171.1 -33.9 48.4 60.2 58 58 A A T 3 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.352 135.1 43.7 -75.2 10.0 -35.5 45.9 57.9 59 59 A E T 3 S- 0 0 187 2,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.375 123.7 -93.2-133.3 -1.3 -38.8 47.1 59.4 60 60 A G S < S+ 0 0 55 -3,-1.0 2,-0.4 1,-0.3 -2,-0.1 0.488 81.0 123.3 103.1 3.1 -38.4 50.9 59.4 61 61 A K - 0 0 44 -6,-0.1 -4,-1.9 1,-0.0 2,-1.5 -0.795 67.4-116.5-102.3 142.0 -37.1 51.6 62.9 62 62 A M E S+M 56 0C 63 -2,-0.4 -6,-0.2 -6,-0.2 -9,-0.1 -0.593 72.7 119.6 -75.1 92.7 -33.9 53.5 63.6 63 63 A N E + 0 0 53 -2,-1.5 2,-0.3 -8,-1.4 -1,-0.2 0.335 51.0 82.6-134.7 -0.9 -31.9 50.8 65.4 64 64 A L E -M 55 0C 48 -9,-2.1 -9,-2.8 -3,-0.3 -10,-0.6 -0.850 63.6-140.7-113.0 146.2 -28.9 50.4 63.1 65 65 A N > - 0 0 23 -2,-0.3 4,-2.1 -12,-0.3 6,-0.2 -0.429 40.0 -94.1 -91.7 174.1 -25.7 52.3 62.9 66 66 A V T 4>S+ 0 0 0 -14,-0.4 5,-2.4 -17,-0.4 4,-0.4 0.829 123.4 53.8 -59.4 -33.2 -24.0 53.2 59.6 67 67 A Q T >45S+ 0 0 76 -17,-0.8 3,-1.0 1,-0.2 -1,-0.2 0.935 110.0 45.7 -68.6 -45.5 -21.7 50.1 59.7 68 68 A Q T 345S+ 0 0 115 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.863 109.7 55.3 -64.9 -36.0 -24.6 47.7 60.1 69 69 A A T 3<5S- 0 0 48 -4,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.598 113.0-122.1 -72.9 -9.9 -26.5 49.5 57.4 70 70 A G T < 5 + 0 0 43 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.707 60.9 152.2 75.7 19.1 -23.6 49.0 55.1 71 71 A G < - 0 0 6 -5,-2.4 48,-0.4 -6,-0.2 -45,-0.3 -0.269 38.0-130.1 -80.3 168.6 -23.3 52.7 54.6 72 72 A S E -d 26 0A 0 -47,-2.5 -45,-2.4 46,-0.1 2,-0.4 -0.535 12.8-129.0-108.5 176.2 -20.2 54.8 53.8 73 73 A V E -de 27 120A 1 46,-2.2 48,-2.6 -47,-0.2 2,-0.6 -0.995 11.0-166.1-134.5 127.3 -18.8 57.9 55.3 74 74 A L E -de 28 121A 0 -47,-2.7 -45,-3.5 -2,-0.4 2,-0.5 -0.968 15.5-161.8-111.1 116.8 -17.8 61.1 53.5 75 75 A V E +de 29 122A 0 46,-3.0 48,-0.7 -2,-0.6 2,-0.4 -0.877 12.1 176.0-105.4 129.9 -15.7 63.4 55.8 76 76 A V E -d 30 0A 0 -47,-2.8 -45,-2.6 -2,-0.5 2,-0.2 -0.998 32.3-118.1-133.6 130.5 -15.3 67.1 55.1 77 77 A S E -d 31 0A 18 -2,-0.4 2,-0.4 46,-0.2 -45,-0.2 -0.477 30.5-176.1 -68.1 132.9 -13.4 69.6 57.3 78 78 A Q > - 0 0 2 -47,-3.1 3,-1.3 -2,-0.2 4,-0.3 -0.830 13.7-179.1-135.7 95.5 -15.8 72.4 58.4 79 79 A F G > S+ 0 0 130 -2,-0.4 3,-0.8 1,-0.2 4,-0.1 0.720 77.2 72.3 -66.7 -20.9 -14.1 75.1 60.5 80 80 A T G > S+ 0 0 2 1,-0.2 3,-1.0 496,-0.2 500,-0.3 0.669 81.7 70.0 -70.4 -17.1 -17.4 76.9 60.9 81 81 A L G < S+ 0 0 5 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 97.1 51.5 -70.0 -30.3 -18.8 74.3 63.4 82 82 A A G < S+ 0 0 10 -3,-0.8 13,-0.4 -4,-0.3 12,-0.3 0.400 88.1 119.7 -85.9 2.4 -16.3 75.5 66.0 83 83 A A S < S- 0 0 15 -3,-1.0 2,-0.8 10,-0.1 10,-0.2 -0.244 71.4-118.2 -68.1 154.6 -17.4 79.1 65.6 84 84 A D B +N 92 0D 66 8,-2.9 8,-1.7 1,-0.1 3,-0.1 -0.873 42.2 162.8 -93.8 111.7 -18.9 81.1 68.4 85 85 A T + 0 0 20 -2,-0.8 497,-0.3 6,-0.2 -1,-0.1 0.136 33.8 116.6-116.1 17.3 -22.4 82.0 67.1 86 86 A E S S+ 0 0 142 1,-0.1 2,-0.3 495,-0.1 -1,-0.1 0.881 78.8 10.4 -54.4 -48.9 -23.9 83.0 70.5 87 87 A R S S+ 0 0 219 3,-0.2 3,-0.3 -3,-0.1 -1,-0.1 -0.984 101.1 18.7-140.3 149.1 -24.6 86.6 69.8 88 88 A G S S- 0 0 37 -2,-0.3 401,-0.0 1,-0.2 402,-0.0 -0.037 84.5 -77.2 86.5 169.4 -24.7 89.0 66.9 89 89 A M S S+ 0 0 52 401,-0.1 402,-3.0 1,-0.1 -1,-0.2 0.339 107.7 70.1 -89.2 6.0 -24.9 88.6 63.1 90 90 A R S S- 0 0 121 -3,-0.3 -3,-0.2 400,-0.2 402,-0.1 -0.981 75.5-133.4-130.9 126.6 -21.2 87.7 62.7 91 91 A P - 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