==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-NOV-09 3KOD . COMPND 2 MOLECULE: D-TYROSYL-TRNA(TYR) DEACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR Y.MANICKAM,T.K.BHATT,A.SHARMA . 916 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 244 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 107 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 0 0 0 0 0 0 0 0 6 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 0 1 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 . 14 4 3 0 1 3 5 0 3 0 4 2 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 1 1 1 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 3 0, 0.0 148,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.8 -1.6 4.6 13.6 2 2 A R E -AB 34 148A 45 32,-1.3 32,-2.5 146,-0.2 2,-0.3 -0.774 360.0-168.3-101.5 158.5 -2.1 4.2 9.9 3 3 A V E -AB 33 147A 1 144,-2.4 144,-1.4 -2,-0.3 2,-0.6 -0.971 19.3-155.9-148.0 135.0 -2.1 0.9 8.1 4 4 A V E -AB 32 146A 0 28,-2.8 28,-2.6 -2,-0.3 2,-0.5 -0.958 19.7-168.8-101.3 117.4 -2.1 -0.4 4.5 5 5 A I E -AB 31 145A 0 140,-3.1 140,-1.9 -2,-0.6 2,-0.4 -0.923 6.2-178.9-103.8 122.7 -3.6 -3.8 4.3 6 6 A Q E -AB 30 144A 0 24,-2.6 24,-1.7 -2,-0.5 2,-0.4 -0.977 26.8-124.0-123.9 143.9 -3.2 -5.7 1.1 7 7 A R E -A 29 0A 23 136,-1.5 133,-2.3 -2,-0.4 136,-0.4 -0.660 34.7-164.3 -83.1 129.7 -4.5 -9.1 0.3 8 8 A V E -AB 28 139A 0 20,-3.3 20,-2.0 -2,-0.4 131,-0.2 -0.904 39.6-157.6-117.3 149.5 -1.8 -11.6 -0.8 9 9 A K E S- 0 0 76 129,-2.2 2,-0.3 1,-0.4 -1,-0.2 0.767 92.8 -43.8 -69.6 -39.1 -1.5 -15.0 -2.5 10 10 A G E - B 0 138A 11 128,-0.6 128,-2.8 16,-0.1 -1,-0.4 -0.954 58.4-139.4-176.3 177.7 1.8 -14.9 -0.6 11 11 A A E -CB 25 137A 6 14,-2.9 14,-2.1 -2,-0.3 2,-0.5 -0.989 2.1-153.3-154.3 138.5 4.7 -12.7 0.4 12 12 A I E -CB 24 136A 50 124,-3.6 124,-2.6 -2,-0.3 2,-0.5 -0.951 8.8-163.7-122.2 121.4 8.5 -12.9 0.7 13 13 A L E +CB 23 135A 0 10,-2.2 9,-2.8 -2,-0.5 10,-1.6 -0.856 15.4 172.9-103.5 131.5 10.6 -10.7 3.0 14 14 A S E -CB 21 134A 9 120,-3.8 120,-2.7 -2,-0.5 2,-0.3 -0.928 15.4-147.9-135.4 152.5 14.3 -10.5 2.5 15 15 A V E CB 20 133A 19 5,-1.9 5,-0.6 -2,-0.3 118,-0.1 -0.873 360.0 360.0-120.9 158.7 17.2 -8.5 3.9 16 16 A R 0 0 180 116,-0.6 3,-0.3 -2,-0.3 -1,-0.1 0.264 360.0 360.0 -14.4 360.0 20.6 -7.1 2.7 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 26 A E 0 0 130 0, 0.0 2,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 130.7 22.7 -9.4 -2.3 19 27 A L - 0 0 78 -3,-0.3 -3,-0.2 -5,-0.0 2,-0.2 -0.055 360.0-152.9 -98.7-175.0 19.7 -10.4 -0.2 20 28 A E E -C 15 0A 119 -5,-0.6 -5,-1.9 -2,-0.0 -7,-0.0 -0.678 25.5-115.8-167.9 116.4 18.5 -13.3 2.1 21 29 A I E +C 14 0A 100 -7,-0.3 -7,-0.3 -2,-0.2 3,-0.1 -0.054 35.1 165.3 -46.8 141.4 15.0 -14.4 2.9 22 30 A I E + 0 0 65 -9,-2.8 2,-0.3 1,-0.5 -8,-0.2 0.437 63.9 10.6-138.4 -9.9 14.0 -14.1 6.6 23 31 A S E +C 13 0A 20 -10,-1.6 -10,-2.2 102,-0.1 -1,-0.5 -0.956 59.8 174.0-154.4 156.3 10.2 -14.5 6.5 24 32 A E E -C 12 0A 83 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.976 7.4-167.1-157.5 164.9 7.5 -15.6 4.1 25 33 A I E -C 11 0A 3 -14,-2.1 -14,-2.9 -2,-0.3 3,-0.1 -0.983 13.5-146.2-150.0 139.3 3.8 -16.3 3.9 26 34 A K S S- 0 0 121 -2,-0.3 -16,-0.1 -16,-0.3 48,-0.1 0.249 75.5 -7.3 -73.7-146.3 1.3 -18.0 1.6 27 35 A N S S+ 0 0 47 -17,-0.1 47,-1.7 1,-0.1 2,-0.3 -0.048 100.6 72.3 -51.3 146.3 -2.3 -16.5 1.4 28 36 A G E S-Ad 8 74A 0 -20,-2.0 -20,-3.3 45,-0.2 2,-0.4 -0.996 79.3 -45.6 151.9-137.9 -3.2 -13.8 3.9 29 37 A L E -Ad 7 75A 0 45,-2.6 47,-2.2 -2,-0.3 2,-0.5 -0.988 23.0-154.7-137.4 133.1 -2.3 -10.2 4.4 30 38 A I E -Ad 6 76A 0 -24,-1.7 -24,-2.6 -2,-0.4 2,-0.5 -0.921 22.1-164.1 -93.5 135.1 0.7 -8.0 4.5 31 39 A C E -Ad 5 77A 1 45,-1.9 47,-2.4 -2,-0.5 2,-0.7 -0.951 13.6-156.8-124.0 112.1 0.1 -4.9 6.6 32 40 A F E -Ad 4 78A 0 -28,-2.6 -28,-2.8 -2,-0.5 2,-0.6 -0.781 24.9-165.0 -79.7 115.0 2.3 -1.9 6.4 33 41 A L E -A 3 0A 4 45,-3.4 2,-0.4 -2,-0.7 -30,-0.2 -0.913 8.9-161.6-119.0 109.1 1.7 -0.4 9.8 34 42 A G E -A 2 0A 0 -32,-2.5 -32,-1.3 -2,-0.6 2,-0.6 -0.757 9.0-145.9 -92.4 137.8 2.6 3.1 10.7 35 43 A I - 0 0 8 -2,-0.4 64,-2.5 -34,-0.2 2,-0.2 -0.874 8.5-145.3-109.1 116.0 3.0 4.3 14.3 36 44 A H B > -L 98 0B 24 -2,-0.6 3,-1.9 62,-0.2 62,-0.2 -0.474 21.3-122.2 -75.1 144.2 2.1 7.9 15.2 37 45 A K T 3 S+ 0 0 42 60,-1.4 -1,-0.1 1,-0.3 61,-0.1 0.827 112.8 43.3 -58.7 -34.0 4.1 9.6 18.0 38 46 A N T 3 S+ 0 0 131 59,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.047 86.5 137.1 -99.5 26.9 1.0 10.2 20.1 39 47 A D < - 0 0 16 -3,-1.9 2,-0.3 3,-0.0 -4,-0.0 -0.345 39.4-147.3 -76.8 158.3 -0.6 6.8 19.6 40 48 A T >> - 0 0 66 1,-0.1 4,-1.5 -2,-0.0 3,-1.4 -0.889 31.7-108.4-121.4 150.4 -2.2 4.8 22.5 41 49 A W H 3> S+ 0 0 99 -2,-0.3 4,-2.0 1,-0.3 3,-0.3 0.865 126.5 59.3 -40.7 -36.6 -2.4 1.1 23.2 42 50 A E H 3> S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.914 97.7 58.2 -58.0 -42.2 -6.0 1.8 22.3 43 51 A D H <> S+ 0 0 23 -3,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.820 106.3 49.0 -60.0 -34.8 -4.7 2.9 18.9 44 52 A A H >X S+ 0 0 3 -4,-1.5 3,-2.0 -3,-0.3 4,-1.9 0.984 102.8 59.2 -62.4 -61.1 -3.2 -0.5 18.4 45 53 A L H 3X S+ 0 0 32 -4,-2.0 4,-3.0 1,-0.3 5,-0.3 0.809 102.6 53.9 -39.5 -42.2 -6.2 -2.6 19.3 46 54 A Y H 3X S+ 0 0 36 -4,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.875 111.8 44.8 -65.7 -35.6 -8.2 -0.9 16.5 47 55 A I H -M 62 0C 59 3,-1.1 3,-1.8 -2,-0.0 4,-0.1 -0.708 56.3 -80.2-117.9 77.0 -16.9 -17.5 0.1 60 68 A D T 3 S+ 0 0 145 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 0.806 123.6 3.4 15.9 84.8 -17.6 -19.3 -3.2 61 69 A N T 3 S+ 0 0 164 1,-0.5 -1,-0.3 0, 0.0 2,-0.2 -0.200 120.4 84.9 109.7 -39.0 -20.7 -17.3 -4.1 62 70 A K E < -M 59 0C 41 -3,-1.8 -3,-1.1 -5,-0.0 -1,-0.5 -0.538 67.2-144.7 -86.2 160.8 -20.6 -14.8 -1.2 63 71 A T E S+ 0 0 91 -5,-0.2 -5,-0.1 1,-0.2 -6,-0.1 -0.987 71.4 6.3-129.8 141.4 -18.5 -11.6 -1.2 64 72 A W E S+ 0 0 50 -2,-0.4 -1,-0.2 -8,-0.1 -6,-0.2 0.986 91.5 123.7 53.8 68.1 -16.6 -9.9 1.5 65 73 A D E + 0 0 28 -8,-1.6 2,-0.3 1,-0.2 -7,-0.2 0.651 47.7 54.9-134.5 -31.4 -17.3 -12.7 4.0 66 74 A K E -M 57 0C 42 -9,-1.8 -9,-1.5 -12,-0.0 -10,-1.0 -0.900 55.7-150.6-120.8 147.4 -14.2 -14.3 5.6 67 75 A N > - 0 0 11 -2,-0.3 4,-1.7 -12,-0.3 6,-0.2 -0.719 38.4 -97.9-105.2 164.2 -11.1 -13.1 7.5 68 76 A V T 4>S+ 0 0 0 -17,-0.4 5,-3.1 -14,-0.3 -15,-0.1 0.715 126.5 50.9 -42.5 -32.3 -7.5 -14.4 7.9 69 77 A K T >45S+ 0 0 29 -17,-0.9 3,-2.7 3,-0.2 -1,-0.2 0.973 105.4 54.0 -69.9 -62.7 -8.6 -16.1 11.1 70 78 A D T 345S+ 0 0 40 1,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.741 116.4 39.3 -36.8 -37.8 -11.6 -17.8 9.5 71 79 A L T 3<5S- 0 0 38 -4,-1.7 -1,-0.3 3,-0.0 -2,-0.1 -0.035 109.5-116.8-109.3 30.0 -9.3 -19.3 6.8 72 80 A N T < 5 + 0 0 44 -3,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.833 65.2 155.4 24.1 54.8 -6.3 -20.1 9.0 73 81 A Y < - 0 0 61 -5,-3.1 2,-0.3 -6,-0.2 -45,-0.2 -0.259 37.8-103.5 -94.2-177.8 -4.3 -17.6 7.0 74 82 A E E -d 28 0A 40 -47,-1.7 -45,-2.6 -48,-0.1 2,-0.4 -0.770 15.6-157.0-115.9 154.1 -1.2 -15.6 7.7 75 83 A L E -de 29 124A 0 48,-2.6 50,-2.0 -2,-0.3 2,-0.5 -0.960 3.7-163.6-121.3 139.7 -0.4 -12.0 8.5 76 84 A L E -de 30 125A 0 -47,-2.2 -45,-1.9 -2,-0.4 2,-0.4 -0.925 14.3-155.3-125.9 111.1 3.0 -10.4 7.9 77 85 A I E +d 31 0A 1 48,-3.1 2,-0.3 -2,-0.5 50,-0.3 -0.674 14.7 177.9 -96.0 134.6 3.4 -7.2 9.8 78 86 A V E -d 32 0A 0 -47,-2.4 -45,-3.4 -2,-0.4 2,-1.0 -0.983 28.0-125.6-139.8 142.2 5.8 -4.6 8.6 79 87 A S - 0 0 22 -2,-0.3 2,-0.9 -47,-0.2 -45,-0.2 -0.662 25.5-179.0-100.2 82.3 6.6 -1.1 10.1 80 88 A Q > + 0 0 8 -2,-1.0 3,-0.6 1,-0.2 221,-0.1 -0.649 10.7 170.8 -78.2 104.0 6.2 1.7 7.5 81 89 A F G > S+ 0 0 83 -2,-0.9 3,-2.0 1,-0.2 -1,-0.2 0.717 73.9 75.0 -78.6 -19.7 7.1 5.1 9.1 82 90 A T G > S+ 0 0 4 1,-0.3 3,-1.5 2,-0.2 222,-0.3 0.609 74.3 80.6 -71.2 -9.6 6.9 6.6 5.7 83 91 A L G < S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.3 221,-0.2 0.686 92.2 50.2 -67.9 -18.3 3.2 6.3 6.0 84 92 A F G < S+ 0 0 3 -3,-2.0 2,-1.1 -49,-0.1 13,-0.5 0.174 76.2 131.5-104.2 10.8 3.4 9.5 8.1 85 93 A G < - 0 0 5 -3,-1.5 2,-0.3 10,-0.1 10,-0.2 -0.601 51.6-149.0 -63.4 100.2 5.5 11.3 5.5 86 94 A N B +N 94 0D 53 8,-2.5 8,-2.5 -2,-1.1 4,-0.2 -0.608 23.0 174.2 -68.0 133.7 3.6 14.6 5.3 87 95 A T + 0 0 9 -2,-0.3 -1,-0.1 6,-0.2 -2,-0.1 0.162 50.5 93.4-137.3 16.5 4.0 15.8 1.7 88 96 A K S S+ 0 0 108 3,-0.1 -2,-0.0 1,-0.0 -1,-0.0 0.873 83.8 60.6 -76.1 -41.8 1.8 18.9 1.3 89 97 A K S S- 0 0 84 5,-0.1 -2,-0.1 3,-0.1 2,-0.1 0.963 123.0 -38.0 -42.4 -88.9 4.8 21.1 2.1 90 98 A G S S- 0 0 34 2,-0.3 122,-0.1 -4,-0.2 0, 0.0 -0.235 72.1 -76.8-120.9-150.3 7.1 20.2 -0.7 91 99 A N S S+ 0 0 21 -2,-0.1 122,-2.8 1,-0.1 -4,-0.1 0.085 107.3 85.1 -97.4 19.5 8.2 17.1 -2.7 92 100 A K S S- 0 0 88 120,-0.2 -2,-0.3 122,-0.0 -1,-0.1 -0.902 82.8-129.1-128.5 102.4 10.3 15.9 0.2 93 101 A P - 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