==== 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 3KO3 . COMPND 2 MOLECULE: D-TYROSYL-TRNA(TYR) DEACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR Y.MANICKAM,T.K.BHATT,A.SHARMA . 922 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 28.2 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 . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 113 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 1 0 0 0 0 0 0 0 0 6 0 0 1 0 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 0 0 6 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 . 13 4 1 0 0 6 6 0 3 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 0 0 0 0 3 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 1 0, 0.0 149,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.7 -5.1 -1.3 13.7 2 2 A R E -AB 35 149A 47 33,-2.2 33,-1.9 147,-0.2 2,-0.4 -0.802 360.0-171.9-106.9 148.9 -4.4 -1.6 10.0 3 3 A V E -AB 34 148A 0 145,-1.7 145,-2.0 -2,-0.3 2,-0.6 -0.974 15.9-163.1-144.1 129.7 -1.0 -2.0 8.3 4 4 A V E -AB 33 147A 0 29,-1.9 29,-2.6 -2,-0.4 2,-0.7 -0.950 20.1-163.7-105.8 114.1 0.1 -2.0 4.6 5 5 A I E -AB 32 146A 1 141,-3.3 141,-2.7 -2,-0.6 2,-0.4 -0.867 7.1-174.2-106.0 116.1 3.5 -3.5 4.5 6 6 A Q E -AB 31 145A 0 25,-2.9 25,-2.0 -2,-0.7 2,-0.5 -0.916 20.4-133.7-114.8 139.0 5.5 -2.9 1.4 7 7 A R E -A 30 0A 23 137,-2.0 134,-3.2 -2,-0.4 137,-0.4 -0.773 34.6-177.5 -92.4 128.4 8.9 -4.4 0.6 8 8 A V E -AB 29 140A 0 21,-2.1 21,-1.3 -2,-0.5 132,-0.2 -0.860 46.3-150.0-128.1 153.0 11.4 -1.9 -0.7 9 9 A K E S- 0 0 84 130,-2.8 2,-0.3 1,-0.4 131,-0.1 0.636 92.3 -37.0 -81.4 -24.1 14.9 -1.4 -2.1 10 10 A G E - B 0 139A 12 129,-0.7 129,-2.5 19,-0.1 -1,-0.4 -0.883 52.9-143.5 173.4 161.3 14.7 2.0 -0.4 11 11 A A E -CB 26 138A 1 15,-2.1 15,-1.9 -2,-0.3 2,-0.6 -0.982 3.9-156.2-147.9 134.7 12.5 5.0 0.4 12 12 A I E -CB 25 137A 63 125,-2.2 125,-1.9 -2,-0.3 2,-0.6 -0.934 11.9-158.4-113.8 114.4 13.0 8.7 0.5 13 13 A L E +CB 24 136A 0 11,-2.4 10,-2.9 -2,-0.6 11,-1.7 -0.836 16.8 178.7 -96.7 118.4 10.7 10.8 2.7 14 14 A S E -CB 22 135A 11 121,-3.0 121,-2.5 -2,-0.6 8,-0.3 -0.867 12.1-165.8-120.0 151.6 10.4 14.5 1.9 15 15 A V E -CB 21 134A 12 6,-2.5 6,-3.4 -2,-0.3 2,-0.6 -0.791 38.9 -86.7-122.8 170.6 8.4 17.4 3.3 16 16 A R E C 20 0A 167 117,-0.5 4,-0.2 -2,-0.2 117,-0.1 -0.711 360.0 360.0 -80.7 119.3 7.7 21.0 2.0 17 17 A K 0 0 167 2,-1.5 -1,-0.1 -2,-0.6 4,-0.0 0.374 360.0 360.0 -77.4 360.0 10.5 23.3 3.1 18 ! 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 19 26 A E 0 0 116 0, 0.0 -2,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -26.1 10.4 22.9 -3.1 20 27 A L E -C 16 0A 70 -4,-0.2 2,-0.4 -3,-0.0 -4,-0.2 -0.761 360.0-155.7-105.6 152.3 10.8 19.6 -1.1 21 28 A E E -C 15 0A 85 -6,-3.4 -6,-2.5 -2,-0.3 2,-0.1 -0.971 16.8-129.4-133.2 124.2 13.3 18.7 1.5 22 29 A I E +C 14 0A 101 -2,-0.4 -8,-0.3 -8,-0.3 3,-0.1 -0.389 34.3 160.7 -64.5 133.5 14.3 15.1 2.4 23 30 A I E + 0 0 71 -10,-2.9 2,-0.3 1,-0.4 -9,-0.2 0.616 60.3 32.5-124.3 -28.0 14.1 14.3 6.1 24 31 A S E +C 13 0A 16 -11,-1.7 -11,-2.4 102,-0.1 -1,-0.4 -0.935 58.5 175.7-132.3 155.2 14.0 10.5 6.4 25 32 A E E +C 12 0A 78 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.972 7.4 178.9-160.5 139.0 15.5 7.7 4.4 26 33 A I E -C 11 0A 1 -15,-1.9 -15,-2.1 -2,-0.3 3,-0.1 -0.919 10.8-158.9-130.9 159.0 15.8 3.9 4.4 27 34 A K S S+ 0 0 114 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.277 71.8 1.0-101.8-122.2 17.4 1.4 2.1 28 35 A N S S+ 0 0 46 -18,-0.1 47,-2.0 -21,-0.1 -1,-0.4 -0.518 103.2 72.0 -72.8 131.6 16.3 -2.2 2.1 29 36 A G E S-Ad 8 75A 0 -21,-1.3 -21,-2.1 -2,-0.3 2,-0.4 -0.962 81.4 -44.4 162.0-148.4 13.5 -2.9 4.6 30 37 A L E -Ad 7 76A 0 45,-1.9 47,-3.2 -2,-0.3 2,-0.5 -0.946 25.7-157.3-124.3 134.7 9.8 -2.2 5.0 31 38 A I E -Ad 6 77A 0 -25,-2.0 -25,-2.9 -2,-0.4 2,-0.5 -0.941 23.6-164.6-100.0 135.2 7.7 0.9 4.6 32 39 A C E -Ad 5 78A 1 45,-2.9 47,-2.5 -2,-0.5 2,-0.8 -0.976 14.4-154.2-129.9 116.3 4.6 0.4 6.7 33 40 A F E -Ad 4 79A 0 -29,-2.6 -29,-1.9 -2,-0.5 2,-0.7 -0.809 22.1-162.4 -91.7 111.1 1.5 2.5 6.4 34 41 A L E -Ad 3 80A 1 45,-2.7 47,-2.7 -2,-0.8 2,-0.5 -0.855 12.3-168.1-110.3 113.6 -0.1 2.4 9.8 35 42 A G E -A 2 0A 0 -33,-1.9 -33,-2.2 -2,-0.7 2,-0.5 -0.873 13.8-148.0 -95.4 123.3 -3.7 3.3 10.4 36 43 A I - 0 0 5 -2,-0.5 64,-2.6 -35,-0.2 2,-0.2 -0.805 12.6-141.4 -93.7 126.5 -4.7 3.7 14.0 37 44 A H B > -L 99 0B 15 -2,-0.5 3,-1.4 62,-0.3 62,-0.2 -0.588 20.1-118.1 -92.3 147.6 -8.3 2.8 14.9 38 45 A K T 3 S+ 0 0 109 60,-2.3 61,-0.1 1,-0.3 -1,-0.1 0.701 116.4 40.7 -59.0 -17.7 -10.5 4.7 17.4 39 46 A N T 3 S+ 0 0 101 59,-0.3 -1,-0.3 2,-0.1 60,-0.1 0.624 82.3 139.7-103.7 -13.9 -10.6 1.6 19.6 40 47 A D < - 0 0 5 -3,-1.4 2,-0.2 1,-0.1 -4,-0.0 0.074 33.7-160.0 -43.7 131.2 -7.1 0.4 19.3 41 48 A T > - 0 0 68 1,-0.0 4,-1.5 -40,-0.0 3,-0.4 -0.566 37.2-100.0 -96.8 169.6 -5.5 -1.0 22.4 42 49 A W H > S+ 0 0 96 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.844 124.5 61.6 -59.3 -33.6 -1.8 -1.4 23.2 43 50 A E H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 100.2 54.1 -60.5 -39.7 -2.3 -5.2 22.3 44 51 A D H > S+ 0 0 21 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.925 109.1 48.5 -54.2 -49.8 -3.4 -4.0 18.8 45 52 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.971 107.5 54.7 -56.3 -58.3 -0.1 -2.1 18.6 46 53 A L H X S+ 0 0 27 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.849 106.1 52.4 -38.9 -48.2 1.9 -5.2 19.8 47 54 A Y H X S+ 0 0 30 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.961 111.9 44.2 -59.5 -54.6 0.5 -7.4 17.0 48 55 A I H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.906 116.9 47.1 -52.4 -49.0 1.4 -5.0 14.2 49 56 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.967 114.0 46.6 -61.5 -51.4 4.9 -4.4 15.7 50 57 A R H X S+ 0 0 117 -4,-3.2 4,-1.2 -5,-0.2 -1,-0.2 0.855 117.8 43.8 -57.2 -39.7 5.5 -8.1 16.2 51 58 A K H X S+ 0 0 7 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.912 110.0 53.0 -77.8 -44.7 4.3 -8.9 12.7 52 59 A C H < S+ 0 0 0 -4,-3.3 17,-0.4 1,-0.2 -2,-0.2 0.855 115.8 42.4 -54.9 -37.3 6.1 -6.0 11.0 53 60 A L H < S+ 0 0 0 -4,-2.0 17,-1.1 -5,-0.2 -1,-0.2 0.731 124.1 30.4 -87.8 -22.8 9.4 -7.2 12.6 54 61 A N H < S+ 0 0 39 -4,-1.2 2,-0.2 -5,-0.2 -2,-0.2 0.603 77.2 117.9-117.9 -15.9 9.2 -11.0 12.2 55 62 A L < - 0 0 1 -4,-2.4 2,-1.5 -5,-0.2 14,-0.4 -0.400 66.0-133.9 -57.0 118.4 7.2 -11.6 9.0 56 63 A R + 0 0 78 191,-1.4 12,-0.3 -2,-0.2 11,-0.1 -0.581 43.2 157.5 -82.1 87.5 9.8 -13.4 6.9 57 64 A L + 0 0 0 -2,-1.5 2,-0.3 10,-0.6 11,-0.2 0.157 43.4 77.7-104.6 18.9 9.3 -11.6 3.6 58 65 A W E S-M 67 0C 16 9,-1.2 8,-2.4 6,-0.1 9,-1.8 -0.955 75.0-114.5-132.2 144.9 12.7 -12.2 1.9 59 66 A N E - 0 0 97 -2,-0.3 2,-0.5 6,-0.2 5,-0.2 -0.506 14.0-158.9 -71.2 141.1 14.4 -15.1 0.1 60 67 A N E > -M 63 0C 62 3,-2.1 3,-1.1 -2,-0.2 -1,-0.0 -0.865 58.4 -79.8-122.4 91.7 17.4 -16.8 1.6 61 68 A D T 3 S+ 0 0 161 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 0.632 118.7 9.9 -2.7 122.1 18.9 -18.4 -1.6 62 69 A N T 3 S+ 0 0 154 1,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.216 122.0 77.0 73.4 -9.4 17.1 -21.6 -2.4 63 70 A K E < -M 60 0C 117 -3,-1.1 -3,-2.1 0, 0.0 2,-0.2 -0.989 68.2-151.1-122.9 141.9 14.4 -20.9 0.2 64 71 A T E S+ 0 0 71 -2,-0.4 -5,-0.1 -5,-0.2 -6,-0.1 -0.666 72.9 15.3-101.6 162.5 11.5 -18.4 -0.2 65 72 A W E S+ 0 0 40 -2,-0.2 -1,-0.2 1,-0.1 -8,-0.2 0.912 89.7 120.9 38.7 73.5 9.7 -16.4 2.6 66 73 A D E + 0 0 21 -8,-2.4 2,-0.4 1,-0.2 -7,-0.2 0.567 48.7 61.2-141.6 -27.0 12.4 -17.1 5.1 67 74 A K E -M 58 0C 50 -9,-1.8 -9,-1.2 -11,-0.1 -10,-0.6 -0.955 56.9-157.5-124.8 133.8 14.0 -13.8 6.4 68 75 A N > - 0 0 10 -2,-0.4 4,-1.6 -12,-0.3 6,-0.2 -0.450 40.5 -92.8 -96.5 176.0 12.4 -10.9 8.3 69 76 A V T 4>S+ 0 0 0 -17,-0.4 5,-2.8 -14,-0.4 -15,-0.1 0.840 123.8 50.1 -58.6 -38.4 13.7 -7.3 8.6 70 77 A K T >45S+ 0 0 63 -17,-1.1 3,-3.0 3,-0.2 -1,-0.2 0.983 105.5 56.0 -65.0 -54.6 15.6 -8.0 11.7 71 78 A D T 345S+ 0 0 87 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.841 112.0 41.2 -42.9 -51.7 17.4 -11.1 10.4 72 79 A L T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 1,-0.0 -2,-0.2 0.336 112.2-119.1 -84.6 7.9 18.9 -9.2 7.4 73 80 A N T < 5 + 0 0 102 -3,-3.0 -3,-0.2 1,-0.2 2,-0.1 0.876 61.9 154.5 54.6 41.4 19.6 -6.2 9.6 74 81 A Y < - 0 0 60 -5,-2.8 -45,-0.2 -6,-0.2 2,-0.2 -0.439 37.6-110.7 -93.0 173.9 17.3 -4.1 7.4 75 82 A E E -d 29 0A 36 -47,-2.0 -45,-1.9 -2,-0.1 2,-0.4 -0.512 16.4-145.2-104.2 166.9 15.4 -0.9 8.2 76 83 A L E -de 30 125A 0 48,-3.0 50,-3.3 -47,-0.2 2,-0.5 -0.996 2.2-158.6-134.0 140.7 11.7 0.1 8.7 77 84 A L E -de 31 126A 0 -47,-3.2 -45,-2.9 -2,-0.4 2,-0.7 -0.945 11.7-164.2-116.9 107.7 9.8 3.3 7.8 78 85 A I E +de 32 127A 1 48,-2.2 50,-0.5 -2,-0.5 2,-0.4 -0.849 12.1 178.6 -96.2 117.7 6.6 3.7 9.8 79 86 A V E -d 33 0A 2 -47,-2.5 -45,-2.7 -2,-0.7 2,-0.3 -0.972 27.7-118.9-122.6 134.7 4.3 6.3 8.3 80 87 A S E -d 34 0A 26 -2,-0.4 2,-0.4 -47,-0.2 -45,-0.2 -0.545 28.3-176.7 -83.6 132.3 0.8 7.2 9.7 81 88 A Q > + 0 0 4 -47,-2.7 3,-1.7 -2,-0.3 4,-0.2 -0.755 22.0 169.4-134.2 86.7 -2.2 6.7 7.5 82 89 A F G > S+ 0 0 102 -2,-0.4 3,-1.8 1,-0.3 17,-0.1 0.757 77.6 79.2 -65.9 -17.8 -5.7 7.7 8.7 83 90 A T G > S+ 0 0 2 1,-0.3 3,-1.5 215,-0.2 219,-0.4 0.610 73.6 77.3 -62.9 -12.8 -6.7 7.0 5.1 84 91 A L G < S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.670 94.2 47.6 -77.8 -18.4 -6.7 3.3 5.9 85 92 A F G < S+ 0 0 2 -3,-1.8 13,-0.6 -4,-0.2 2,-0.5 -0.096 80.3 147.0-104.7 25.5 -10.1 3.7 7.6 86 93 A G < - 0 0 7 -3,-1.5 2,-0.8 214,-0.2 10,-0.2 -0.560 49.8-136.0 -53.8 111.6 -11.2 5.6 4.5 87 94 A N B +N 95 0D 45 8,-3.1 8,-0.8 -2,-0.5 4,-0.3 -0.781 37.7 163.5 -78.6 112.7 -14.8 4.6 4.5 88 95 A T + 0 0 9 -2,-0.8 -1,-0.1 6,-0.2 -2,-0.0 0.203 57.4 79.9-119.6 10.9 -15.6 3.8 0.8 89 96 A K S S+ 0 0 121 1,-0.1 -1,-0.1 219,-0.0 -2,-0.0 0.867 87.0 66.3 -77.3 -38.5 -18.8 1.9 1.2 90 97 A K S S- 0 0 152 5,-0.1 2,-0.2 3,-0.1 -2,-0.1 0.877 115.3 -60.1 -50.4 -67.6 -20.6 5.2 1.5 91 98 A G S S- 0 0 30 2,-0.4 119,-0.0 -4,-0.3 0, 0.0 -0.584 71.1 -61.2-154.2-140.4 -20.2 7.0 -1.9 92 99 A N S S+ 0 0 62 -2,-0.2 119,-2.9 118,-0.1 -2,-0.0 0.458 113.9 77.8-101.7 -1.2 -17.4 8.2 -4.0 93 100 A K S S- 0 0 88 117,-0.2 -2,-0.4 119,-0.0 2,-0.2 -0.932 77.9-140.0-106.3 120.7 -16.2 10.6 -1.3 94 101 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.564 14.0-167.6 -78.1 143.1 -14.3 9.1 1.6 95 102 A D B -N 87 0D 45 -8,-0.8 -8,-3.1 -2,-0.2 3,-0.1 -0.849 9.6-154.6-117.7 165.2 -14.8 10.1 5.2 96 103 A F > + 0 0 32 -2,-0.3 3,-0.7 -10,-0.2 -10,-0.1 -0.238 46.7 129.5-139.9 41.2 -12.3 8.9 7.9 97 104 A H T 3 + 0 0 151 1,-0.2 -1,-0.1 -12,-0.1 -11,-0.1 0.577 65.1 68.7 -78.5 -13.0 -14.3 9.0 11.2 98 105 A L T 3 S+ 0 0 68 -13,-0.6 -60,-2.3 -16,-0.1 -59,-0.3 0.682 83.2 90.6 -82.0 -19.3 -13.2 5.4 12.1 99 106 A A B < S-L 37 0B 13 -3,-0.7 -62,-0.3 -62,-0.2 2,-0.1 -0.355 93.3 -91.1 -70.3 153.9 -9.6 6.5 12.7 100 107 A K - 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