==== 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 3KOC . COMPND 2 MOLECULE: D-TYROSYL-TRNA(TYR) DEACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR Y.MANICKAM,T.K.BHATT,A.SHARMA . 908 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 687 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 250 27.5 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 103 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 18.6 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 0 0 0 0 0 0 0 0 0 6 0 0 0 1 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 2 1 4 0 6 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 . 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 3 0, 0.0 150,-3.0 0, 0.0 151,-0.4 0.000 360.0 360.0 360.0 132.4 -8.5 11.2 -4.6 2 2 A R E -AB 36 150A 50 34,-3.1 34,-2.7 148,-0.2 2,-0.4 -0.952 360.0-176.2-126.3 143.5 -6.3 8.8 -2.8 3 3 A V E -AB 35 149A 1 146,-2.1 146,-1.9 -2,-0.4 2,-0.5 -0.997 15.7-160.6-141.3 136.7 -3.0 7.2 -3.7 4 4 A V E -AB 34 148A 0 30,-2.1 30,-2.7 -2,-0.4 2,-0.5 -0.970 18.3-167.6-105.9 128.6 -0.7 4.6 -2.1 5 5 A I E -AB 33 147A 1 142,-2.5 142,-2.0 -2,-0.5 2,-0.5 -0.984 5.7-176.0-122.8 117.1 2.8 4.9 -3.5 6 6 A Q E -AB 32 146A 0 26,-2.2 26,-2.2 -2,-0.5 140,-0.2 -0.973 25.0-127.4-118.5 130.0 5.2 2.1 -2.8 7 7 A R E -A 31 0A 21 138,-2.4 135,-2.5 -2,-0.5 138,-0.4 -0.516 37.4-175.9 -76.1 138.2 8.7 2.4 -4.0 8 8 A V E -AB 30 141A 0 22,-3.2 22,-2.9 133,-0.3 133,-0.2 -0.975 45.1-147.7-142.8 153.8 9.9 -0.6 -6.0 9 9 A K E S- 0 0 65 131,-2.5 2,-0.3 1,-0.4 132,-0.1 0.741 92.1 -28.4 -79.1 -28.6 12.7 -2.4 -7.8 10 10 A G E - B 0 140A 5 130,-0.8 130,-2.4 20,-0.1 -1,-0.4 -0.952 54.8-155.5-177.7 164.6 10.2 -3.9 -10.2 11 11 A A E -CB 27 139A 2 16,-2.3 16,-2.3 -2,-0.3 2,-0.5 -0.960 4.1-158.9-158.1 138.9 6.6 -5.0 -10.5 12 12 A I E -CB 26 138A 50 126,-2.2 126,-2.3 -2,-0.3 2,-0.4 -0.978 10.1-158.5-128.8 117.1 4.8 -7.5 -12.8 13 13 A L E -CB 25 137A 0 12,-2.7 11,-2.1 -2,-0.5 12,-1.4 -0.814 12.8-179.7-101.8 137.9 1.1 -7.2 -13.4 14 14 A S E -CB 23 136A 7 122,-2.0 122,-2.3 -2,-0.4 9,-0.3 -0.996 10.5-160.6-139.4 142.5 -1.0 -10.2 -14.7 15 15 A V E C 22 0A 15 7,-2.0 7,-2.5 -2,-0.3 120,-0.1 -0.542 360.0 360.0-111.5 178.7 -4.7 -10.9 -15.6 16 16 A R 0 0 186 118,-0.5 -1,-0.2 5,-0.2 5,-0.1 0.075 360.0 360.0 -98.9 360.0 -6.8 -14.1 -15.9 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 24 A E 0 0 157 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 125.9 -10.0 -20.2 -19.5 19 25 A K + 0 0 73 1,-0.3 -3,-0.0 0, 0.0 0, 0.0 0.096 360.0 27.0 123.2 135.2 -7.7 -20.3 -16.3 20 26 A E S S- 0 0 163 -2,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.081 77.7 -52.6 66.4 177.5 -4.4 -18.9 -14.8 21 27 A L - 0 0 80 -5,-0.1 2,-0.4 -7,-0.1 -5,-0.2 -0.387 25.7-164.8-106.5 150.9 -2.4 -15.7 -15.5 22 28 A E E -C 15 0A 122 -7,-2.5 -7,-2.0 -2,-0.1 2,-0.4 -0.962 24.0-130.5-132.1 126.4 -0.8 -13.5 -18.1 23 29 A I E +C 14 0A 102 -2,-0.4 -9,-0.3 -9,-0.3 3,-0.1 -0.482 36.2 158.4 -63.2 118.2 1.7 -10.7 -17.7 24 30 A I E + 0 0 59 -11,-2.1 2,-0.3 -2,-0.4 -1,-0.2 0.537 62.6 40.5-116.8 -13.0 0.5 -7.6 -19.5 25 31 A S E +C 13 0A 14 -12,-1.4 -12,-2.7 102,-0.1 2,-0.4 -0.999 58.8 172.6-141.1 136.8 2.5 -4.9 -17.6 26 32 A E E +C 12 0A 85 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.991 3.1 174.2-148.5 135.4 6.0 -4.7 -16.3 27 33 A I E -C 11 0A 1 -16,-2.3 -16,-2.3 -2,-0.4 3,-0.1 -0.959 11.8-159.6-129.9 154.7 8.2 -2.0 -14.7 28 34 A K S S+ 0 0 113 1,-0.4 -20,-0.1 -2,-0.3 48,-0.1 0.113 70.8 4.1 -99.3-137.3 11.6 -2.2 -13.2 29 35 A N S S+ 0 0 52 -19,-0.1 47,-1.9 46,-0.1 -1,-0.4 -0.231 104.2 73.6 -47.6 122.6 12.9 0.5 -10.8 30 36 A G E S-Ad 8 76A 0 -22,-2.9 -22,-3.2 45,-0.2 2,-0.4 -0.964 77.6 -51.1 171.2-148.3 10.1 2.9 -10.1 31 37 A L E -Ad 7 77A 1 45,-2.2 47,-2.1 -2,-0.3 2,-0.5 -0.943 25.3-149.6-122.7 144.7 6.8 3.4 -8.2 32 38 A I E -Ad 6 78A 0 -26,-2.2 -26,-2.2 -2,-0.4 2,-0.5 -0.944 19.6-161.9-107.1 134.7 3.6 1.5 -8.0 33 39 A C E -Ad 5 79A 1 45,-2.5 47,-2.3 -2,-0.5 2,-0.8 -0.936 11.6-160.5-127.1 107.2 0.6 3.7 -7.4 34 40 A F E -Ad 4 80A 0 -30,-2.7 -30,-2.1 -2,-0.5 2,-0.6 -0.811 22.6-164.8 -86.2 109.5 -2.6 2.4 -6.1 35 41 A L E -Ad 3 81A 2 45,-2.8 47,-2.3 -2,-0.8 2,-0.4 -0.879 12.2-171.8-111.9 111.2 -5.0 5.1 -7.1 36 42 A G E -A 2 0A 0 -34,-2.7 -34,-3.1 -2,-0.6 2,-0.6 -0.874 12.8-148.6-101.7 136.0 -8.5 5.4 -5.7 37 43 A I - 0 0 7 -2,-0.4 64,-2.4 -36,-0.2 4,-0.1 -0.911 9.8-139.5-111.1 112.5 -10.9 8.0 -7.2 38 44 A H B > -L 100 0B 18 -2,-0.6 3,-0.9 62,-0.2 62,-0.2 -0.230 23.9-115.4 -66.0 155.7 -13.6 9.6 -4.9 39 45 A K T 3 S+ 0 0 102 60,-2.0 2,-0.4 1,-0.3 61,-0.1 0.841 115.3 44.7 -65.2 -35.2 -17.1 10.2 -6.3 40 46 A N T 3 S+ 0 0 104 59,-0.3 2,-0.5 61,-0.0 -1,-0.3 -0.487 80.9 145.3-104.4 55.5 -16.7 14.0 -6.1 41 47 A D < - 0 0 9 -3,-0.9 2,-0.2 -2,-0.4 -4,-0.0 -0.869 31.8-159.3 -98.4 127.2 -13.2 14.3 -7.6 42 48 A T >> - 0 0 83 -2,-0.5 3,-1.8 1,-0.1 4,-1.0 -0.616 36.5-101.4 -95.5 161.6 -12.5 17.3 -9.7 43 49 A W H 3> S+ 0 0 26 1,-0.3 4,-1.5 -2,-0.2 3,-0.1 0.766 121.4 64.5 -56.4 -28.3 -9.6 17.4 -12.3 44 50 A E H 3> S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.783 96.8 56.6 -67.0 -28.9 -7.5 19.4 -9.8 45 51 A D H <> S+ 0 0 23 -3,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.863 108.0 48.5 -65.6 -37.2 -7.6 16.4 -7.5 46 52 A A H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.831 107.6 55.1 -70.2 -32.5 -6.1 14.3 -10.3 47 53 A L H X S+ 0 0 13 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.947 105.5 50.1 -71.1 -45.0 -3.4 16.9 -11.0 48 54 A Y H X S+ 0 0 37 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.898 111.6 50.8 -56.5 -43.0 -2.1 16.9 -7.4 49 55 A I H X S+ 0 0 2 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.948 112.9 44.0 -60.9 -51.3 -1.9 13.1 -7.6 50 56 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.960 114.3 51.0 -60.7 -51.6 0.0 13.0 -10.9 51 57 A R H X S+ 0 0 62 -4,-3.0 4,-1.6 2,-0.2 5,-0.2 0.913 113.3 42.9 -46.7 -56.1 2.3 15.8 -9.7 52 58 A K H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 3,-0.3 0.932 113.5 50.6 -67.7 -45.9 3.3 14.2 -6.4 53 59 A C H < S+ 0 0 1 -4,-2.4 17,-0.4 -5,-0.2 -1,-0.2 0.928 119.4 39.7 -48.5 -48.4 3.7 10.8 -7.9 54 60 A L H < S+ 0 0 0 -4,-2.9 17,-0.7 -5,-0.2 -2,-0.2 0.653 126.7 32.8 -79.5 -16.8 5.9 12.4 -10.5 55 61 A N H < S+ 0 0 1 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.2 0.735 79.1 112.7-118.9 -25.9 7.7 14.8 -8.2 56 62 A L < - 0 0 1 -4,-3.0 2,-1.6 -5,-0.2 14,-0.4 -0.244 65.1-129.6 -54.9 131.2 8.2 13.4 -4.7 57 63 A R + 0 0 36 188,-2.7 12,-0.3 9,-0.2 -1,-0.1 -0.589 46.7 153.0 -87.3 81.4 11.8 12.8 -3.9 58 64 A L + 0 0 2 -2,-1.6 2,-0.4 10,-0.2 -1,-0.2 0.158 46.1 82.8-102.9 19.8 11.6 9.2 -2.6 59 65 A W E S-M 68 0C 13 9,-1.2 8,-2.5 6,-0.1 9,-2.3 -0.984 72.6-128.2-130.3 132.4 15.1 8.1 -3.5 60 66 A N E - 0 0 90 -2,-0.4 2,-0.3 6,-0.2 5,-0.3 -0.326 20.7-150.1 -67.2 154.7 18.4 8.6 -1.7 61 67 A N E > -M 64 0C 53 3,-4.6 3,-2.1 -2,-0.0 -1,-0.0 -0.782 47.5 -68.4-139.6 97.3 21.2 10.1 -3.7 62 68 A D T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.776 124.2 -5.9 26.7 86.3 24.8 9.2 -2.9 63 69 A N T 3 S+ 0 0 157 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.031 126.2 81.8 98.1 -27.0 25.3 10.8 0.5 64 70 A K E < -M 61 0C 120 -3,-2.1 -3,-4.6 0, 0.0 2,-0.3 -0.874 65.5-146.7-118.2 143.9 21.9 12.6 0.5 65 71 A T E S+ 0 0 71 -2,-0.3 -5,-0.2 -5,-0.3 -6,-0.1 -0.736 74.3 12.4-110.0 158.7 18.5 11.2 1.4 66 72 A W E S+ 0 0 35 -2,-0.3 -1,-0.2 1,-0.1 -6,-0.2 0.926 93.6 118.5 42.8 68.3 15.0 11.9 -0.0 67 73 A D E + 0 0 22 -8,-2.5 2,-0.4 1,-0.3 -7,-0.2 0.655 48.9 57.8-137.6 -39.9 16.6 13.8 -2.9 68 74 A K E -M 59 0C 55 -9,-2.3 -9,-1.2 -11,-0.1 -1,-0.3 -0.881 62.4-152.1-108.8 140.4 15.8 12.3 -6.3 69 75 A N > - 0 0 0 -2,-0.4 4,-1.3 -12,-0.3 6,-0.2 -0.319 37.9 -85.7 -97.5-174.2 12.3 11.8 -7.8 70 76 A V T 4>S+ 0 0 0 -14,-0.4 5,-2.7 -17,-0.4 3,-0.2 0.909 123.9 45.6 -56.9 -49.4 11.0 9.3 -10.4 71 77 A K T >45S+ 0 0 0 -17,-0.7 3,-1.9 1,-0.2 -1,-0.2 0.881 105.5 59.6 -70.4 -39.8 11.9 11.2 -13.5 72 78 A D T 345S+ 0 0 32 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.889 108.8 44.7 -53.4 -42.5 15.5 12.2 -12.4 73 79 A L T 3<5S- 0 0 51 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.428 115.5-118.8 -87.2 4.3 16.4 8.6 -12.1 74 80 A N T < 5 + 0 0 80 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.818 62.6 155.9 65.5 34.8 14.7 7.9 -15.4 75 81 A Y < - 0 0 56 -5,-2.7 -45,-0.2 -6,-0.2 2,-0.2 -0.161 35.4-115.1 -96.4-177.6 12.3 5.5 -13.7 76 82 A E E -d 30 0A 33 -47,-1.9 -45,-2.2 -48,-0.1 2,-0.3 -0.627 10.6-145.1-115.9 167.5 8.9 4.0 -14.3 77 83 A L E -de 31 126A 0 48,-1.7 50,-3.3 -47,-0.2 2,-0.5 -0.991 1.6-158.9-131.4 143.7 5.4 4.1 -12.9 78 84 A L E -de 32 127A 0 -47,-2.1 -45,-2.5 -2,-0.3 2,-0.8 -0.937 16.4-159.8-120.1 107.5 2.6 1.4 -12.7 79 85 A I E +de 33 128A 0 48,-2.8 50,-0.7 -2,-0.5 2,-0.5 -0.773 12.9 178.2-100.6 108.6 -0.7 3.0 -12.2 80 86 A V E -d 34 0A 0 -47,-2.3 -45,-2.8 -2,-0.8 2,-0.3 -0.931 27.3-129.0-113.9 122.8 -3.3 0.6 -10.8 81 87 A S E -d 35 0A 22 -2,-0.5 2,-0.4 -47,-0.2 -45,-0.2 -0.515 26.7-176.1 -66.2 128.4 -6.9 1.8 -10.0 82 88 A Q > + 0 0 6 -47,-2.3 3,-1.2 -2,-0.3 4,-0.1 -0.809 17.4 172.1-132.7 97.1 -7.8 0.8 -6.4 83 89 A F G > S+ 0 0 93 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.765 73.9 79.1 -72.6 -23.5 -11.4 1.6 -5.4 84 90 A T G > S+ 0 0 3 1,-0.3 3,-1.9 212,-0.2 216,-0.3 0.644 73.7 79.8 -59.2 -14.0 -10.9 -0.4 -2.2 85 91 A L G < S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.3 215,-0.3 0.793 91.7 50.2 -65.9 -28.8 -9.0 2.7 -0.9 86 92 A F G < S+ 0 0 4 -3,-2.4 13,-0.5 -4,-0.1 2,-0.4 0.108 79.3 136.9 -94.0 17.3 -12.4 4.2 -0.2 87 93 A G < - 0 0 6 -3,-1.9 2,-0.9 211,-0.3 213,-0.2 -0.563 53.9-138.1 -57.4 119.1 -13.3 1.0 1.6 88 94 A N B +N 96 0D 42 8,-2.3 8,-1.0 -2,-0.4 4,-0.4 -0.771 31.6 170.1 -90.6 103.5 -15.1 2.4 4.7 89 95 A T + 0 0 8 -2,-0.9 -1,-0.1 211,-0.3 -2,-0.1 0.068 60.2 85.5-102.8 21.6 -13.9 0.4 7.8 90 96 A K S S+ 0 0 135 3,-0.0 -1,-0.2 211,-0.0 -2,-0.0 0.885 87.4 53.2 -78.6 -46.2 -15.5 2.7 10.3 91 97 A K S S- 0 0 157 -3,-0.3 -2,-0.1 5,-0.1 2,-0.1 0.971 119.6 -49.2 -56.0 -80.2 -18.9 1.0 10.1 92 98 A G - 0 0 12 2,-0.5 4,-0.1 -4,-0.4 116,-0.0 -0.306 69.3 -66.0-134.7-144.7 -18.2 -2.8 10.7 93 99 A N S S+ 0 0 10 -2,-0.1 116,-2.1 115,-0.1 -4,-0.0 0.606 112.6 72.4 -93.1 -17.0 -15.9 -5.6 9.6 94 100 A K S S- 0 0 93 114,-0.2 -2,-0.5 116,-0.0 2,-0.3 -0.897 86.4-132.3 -99.2 123.7 -17.3 -5.7 6.1 95 101 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.581 13.7-157.5 -82.2 135.4 -16.1 -2.7 4.1 96 102 A D B -N 88 0D 35 -8,-1.0 -8,-2.3 -2,-0.3 3,-0.3 -0.954 4.7-163.8-111.2 132.2 -18.5 -0.5 2.1 97 103 A F > + 0 0 46 -2,-0.5 3,-3.3 -10,-0.2 -10,-0.1 0.070 42.5 134.6-101.0 21.7 -16.9 1.5 -0.7 98 104 A H T 3 + 0 0 152 1,-0.3 -1,-0.2 -10,-0.1 -11,-0.1 0.747 66.5 61.5 -50.9 -27.6 -19.9 3.8 -1.2 99 105 A L T 3 S+ 0 0 84 -13,-0.5 -60,-2.0 -3,-0.3 -1,-0.3 0.603 84.6 99.7 -75.7 -12.8 -17.6 6.8 -1.3 100 106 A A B < S-L 38 0B 18 -3,-3.3 2,-0.3 -62,-0.2 -62,-0.2 -0.309 85.6 -92.9 -74.2 160.3 -15.8 5.6 -4.5 101 107 A K - 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