==== 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 12-NOV-09 3KNF . COMPND 2 MOLECULE: D-TYROSYL-TRNA(TYR) DEACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR Y.MANICKAM,T.K.BHATT,A.SHARMA . 909 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 241 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 5 0.6 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 . 2 0.2 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 . 90 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 18.4 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+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 . 1 1 6 0 0 5 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 . 16 3 1 2 1 2 5 0 3 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 0 0 2 1 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 2 0, 0.0 148,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.7 -4.6 1.3 -14.0 2 2 A R E -AB 34 148A 56 32,-2.9 32,-2.9 146,-0.2 2,-0.4 -0.960 360.0-174.7-122.5 141.0 -4.1 1.6 -10.2 3 3 A V E -AB 33 147A 1 144,-2.1 144,-1.5 -2,-0.4 2,-0.6 -0.989 18.8-161.9-139.1 135.9 -1.0 2.0 -8.3 4 4 A V E -AB 32 146A 0 28,-2.7 28,-2.4 -2,-0.4 2,-0.4 -0.935 21.1-162.7-104.2 110.1 0.1 2.1 -4.6 5 5 A I E -AB 31 145A 0 140,-3.4 140,-1.0 -2,-0.6 2,-0.4 -0.775 8.0-175.7 -95.2 133.0 3.6 3.6 -4.4 6 6 A Q E -AB 30 144A 0 24,-1.7 24,-1.3 -2,-0.4 138,-0.2 -0.965 23.6-131.8-132.5 119.9 5.6 3.1 -1.2 7 7 A R E +A 29 0A 31 136,-1.8 133,-1.7 -2,-0.4 2,-0.3 -0.448 40.4 179.8 -66.0 137.0 9.0 4.7 -0.6 8 8 A V E -AB 28 139A 1 20,-2.3 20,-1.8 131,-0.3 131,-0.2 -0.950 45.6-147.8-145.5 164.5 11.4 2.0 0.7 9 9 A K E S- 0 0 76 129,-2.6 18,-0.6 1,-0.4 2,-0.3 0.568 87.3 -30.8-102.1 -16.1 14.9 1.0 1.9 10 10 A G E -A 26 0A 8 128,-0.4 128,-1.8 16,-0.3 -1,-0.4 -0.950 54.3-155.2-177.6-179.9 14.8 -2.5 0.6 11 11 A A E -AB 25 137A 0 14,-1.4 14,-1.3 -2,-0.3 2,-0.5 -0.816 5.5-154.5-171.4 138.5 12.4 -5.3 -0.2 12 12 A I E -AB 24 136A 40 124,-1.2 124,-1.5 -2,-0.3 2,-0.3 -0.855 11.1-159.9-124.6 97.6 12.8 -9.0 -0.5 13 13 A L E +AB 23 135A 0 10,-2.0 9,-2.3 -2,-0.5 10,-1.4 -0.559 18.8 179.1 -72.8 131.6 10.3 -10.7 -2.7 14 14 A S E -AB 21 134A 9 120,-1.9 120,-2.8 -2,-0.3 2,-0.3 -0.985 16.3-160.5-137.9 148.0 10.0 -14.4 -1.9 15 15 A V E A 20 0A 20 5,-3.2 5,-2.7 -2,-0.3 118,-0.1 -0.977 360.0 360.0-128.9 143.2 8.0 -17.4 -3.2 16 16 A R 0 0 172 116,-0.4 3,-0.3 -2,-0.3 116,-0.0 -0.443 360.0 360.0 -61.1 360.0 7.3 -20.9 -1.6 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 0 187 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.9 10.3 -23.9 2.1 19 27 A L - 0 0 60 -3,-0.3 2,-0.4 2,-0.0 -3,-0.3 -0.943 360.0-170.6-155.7 126.2 10.3 -20.2 1.0 20 28 A E E -A 15 0A 132 -5,-2.7 -5,-3.2 -2,-0.3 2,-0.2 -0.953 19.9-118.8-137.2 149.9 12.9 -18.6 -1.4 21 29 A I E +A 14 0A 104 -2,-0.4 -7,-0.3 -7,-0.3 3,-0.1 -0.515 31.1 160.5 -87.1 143.1 13.9 -15.2 -2.6 22 30 A I E + 0 0 66 -9,-2.3 2,-0.3 1,-0.4 -8,-0.2 0.593 66.7 33.0-127.8 -29.9 13.7 -14.2 -6.2 23 31 A S E +A 13 0A 16 -10,-1.4 -10,-2.0 102,-0.1 -1,-0.4 -0.981 53.7 169.6-133.2 144.2 13.8 -10.4 -6.1 24 32 A E E -A 12 0A 85 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.879 5.3-177.1-152.9 118.3 15.4 -7.7 -3.8 25 33 A I E -A 11 0A 0 -14,-1.3 -14,-1.4 -2,-0.3 2,-0.2 -0.653 11.2-156.0-101.7 166.1 15.7 -4.0 -4.2 26 34 A K E S-A 10 0A 120 1,-0.5 -16,-0.3 -16,-0.2 48,-0.2 -0.231 70.4 -0.7-110.0-145.6 17.6 -1.6 -1.8 27 35 A N E S+ 0 0 53 -18,-0.6 47,-1.6 -2,-0.2 -1,-0.5 0.019 103.3 62.6 -37.9 137.2 16.4 2.0 -1.9 28 36 A G E S-Ac 8 74A 0 -20,-1.8 -20,-2.3 45,-0.3 2,-0.3 -0.987 82.2 -33.8 145.6-150.6 13.7 3.0 -4.3 29 37 A L E -Ac 7 75A 0 45,-2.3 47,-1.8 -2,-0.3 2,-0.5 -0.788 26.7-158.1-112.1 146.4 10.0 2.2 -4.9 30 38 A I E -Ac 6 76A 0 -24,-1.3 -24,-1.7 -2,-0.3 2,-0.6 -0.997 23.6-158.2-112.4 128.1 7.8 -0.9 -4.6 31 39 A C E -Ac 5 77A 2 45,-2.6 47,-2.5 -2,-0.5 2,-1.0 -0.927 14.2-159.3-117.8 112.9 4.8 -0.4 -6.8 32 40 A F E -Ac 4 78A 0 -28,-2.4 -28,-2.7 -2,-0.6 2,-0.5 -0.802 27.0-179.0 -88.3 101.5 1.5 -2.3 -6.2 33 41 A L E -Ac 3 79A 4 45,-2.0 47,-2.2 -2,-1.0 2,-0.4 -0.911 12.6-173.6-116.3 122.8 0.1 -2.0 -9.7 34 42 A G E -A 2 0A 0 -32,-2.9 -32,-2.9 -2,-0.5 2,-0.4 -0.970 16.6-139.4-119.8 129.2 -3.3 -3.4 -10.6 35 43 A I - 0 0 9 -2,-0.4 64,-1.6 -34,-0.2 2,-0.3 -0.721 15.0-138.1 -89.2 138.8 -4.6 -3.4 -14.2 36 44 A H B > -K 98 0B 18 -2,-0.4 3,-2.5 62,-0.3 62,-0.2 -0.689 27.1-108.8 -93.9 148.5 -8.3 -2.6 -14.9 37 45 A K T 3 S+ 0 0 101 60,-2.6 63,-0.2 -2,-0.3 61,-0.1 0.587 119.1 38.8 -52.1 -10.8 -10.3 -4.6 -17.4 38 46 A N T 3 S+ 0 0 108 59,-0.2 -1,-0.3 61,-0.1 60,-0.1 0.216 79.0 138.0-127.2 16.4 -10.3 -1.5 -19.7 39 47 A D < - 0 0 7 -3,-2.5 2,-0.2 3,-0.1 -4,-0.0 -0.338 34.7-159.2 -62.5 141.6 -6.8 -0.1 -19.3 40 48 A T > - 0 0 58 1,-0.1 4,-1.4 -2,-0.0 3,-0.3 -0.626 38.2 -97.9-111.6 174.5 -5.2 1.0 -22.5 41 49 A W H > S+ 0 0 87 1,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.863 125.7 64.9 -62.7 -29.0 -1.4 1.5 -23.2 42 50 A E H > S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.939 99.6 50.9 -55.2 -49.9 -2.2 5.1 -22.5 43 51 A D H >> S+ 0 0 19 -3,-0.3 4,-1.7 2,-0.2 3,-1.6 0.977 114.2 41.1 -50.2 -65.9 -3.1 4.2 -18.9 44 52 A A H 3X S+ 0 0 2 -4,-1.4 4,-2.9 1,-0.3 5,-0.2 0.911 106.1 64.6 -49.5 -47.9 0.1 2.3 -18.3 45 53 A L H 3X S+ 0 0 46 -4,-3.4 4,-2.3 1,-0.2 -1,-0.3 0.857 107.2 44.4 -45.8 -37.4 2.1 4.9 -20.1 46 54 A Y H X S+ 0 0 1 -4,-3.1 4,-3.1 1,-0.2 3,-0.8 0.963 111.9 48.5 -63.7 -58.7 4.6 8.8 -12.7 51 59 A C H 3< S+ 0 0 1 -4,-2.7 17,-0.3 1,-0.2 -1,-0.2 0.866 117.2 45.1 -49.9 -36.5 6.4 6.0 -10.9 52 60 A L H 3< S+ 0 0 0 -4,-3.0 17,-0.8 -5,-0.2 -1,-0.2 0.730 124.9 29.0 -84.5 -18.8 9.6 7.0 -12.7 53 61 A N H << S+ 0 0 12 -4,-1.4 2,-0.3 -3,-0.8 -2,-0.2 0.578 75.2 120.4-121.0 -13.0 9.3 10.7 -12.1 54 62 A L < - 0 0 0 -4,-3.1 2,-1.6 -5,-0.2 14,-0.6 -0.420 63.2-136.4 -54.1 112.6 7.4 11.4 -8.9 55 63 A R + 0 0 14 189,-1.7 12,-0.4 -2,-0.3 -1,-0.1 -0.616 45.3 154.4 -74.7 90.4 10.1 13.3 -7.0 56 64 A L + 0 0 0 -2,-1.6 2,-0.2 10,-0.4 8,-0.2 0.408 43.2 75.2-105.2 0.1 9.5 11.5 -3.7 57 65 A W B S-L 66 0C 14 9,-3.0 8,-2.9 6,-0.1 9,-1.9 -0.672 74.9-119.7-104.2 164.1 12.9 11.9 -2.0 58 66 A N - 0 0 87 -2,-0.2 2,-0.3 6,-0.2 5,-0.2 -0.729 13.4-161.9 -93.8 154.5 14.6 14.9 -0.4 59 67 A N - 0 0 50 3,-1.0 4,-0.1 -2,-0.3 -2,-0.0 -0.753 57.6 -72.2-135.5 92.8 17.8 16.4 -1.5 60 68 A D S S+ 0 0 150 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.539 122.2 13.9 -9.2 114.7 19.2 18.4 1.3 61 69 A N S S+ 0 0 125 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.057 117.8 79.5 75.2 31.2 17.3 21.6 1.9 62 70 A K - 0 0 61 4,-0.0 -3,-1.0 0, 0.0 2,-0.3 -0.995 63.1-147.2-140.1 146.3 14.4 20.5 -0.3 63 71 A T S S+ 0 0 71 -2,-0.3 -5,-0.1 1,-0.3 -6,-0.1 -0.783 81.7 5.5-105.5 156.8 11.4 18.2 0.1 64 72 A W S S+ 0 0 36 -2,-0.3 -1,-0.3 -8,-0.2 -6,-0.2 0.906 93.3 127.4 35.0 70.3 9.8 16.1 -2.6 65 73 A D + 0 0 8 -8,-2.9 2,-0.3 -3,-0.3 -7,-0.2 0.648 51.1 50.7-128.8 -32.9 12.6 17.1 -4.8 66 74 A K B -L 57 0C 34 -9,-1.9 -9,-3.0 -4,-0.1 -10,-0.4 -0.857 63.2-148.2-119.4 152.6 14.1 13.9 -6.3 67 75 A N > - 0 0 6 -12,-0.4 4,-1.6 -2,-0.3 3,-0.3 -0.745 38.5 -87.4-119.5 166.2 12.7 10.8 -8.0 68 76 A V T 4>S+ 0 0 0 -14,-0.6 5,-2.0 -17,-0.3 -15,-0.1 0.743 126.2 41.5 -36.6 -41.6 13.6 7.2 -8.3 69 77 A K T >45S+ 0 0 61 -17,-0.8 3,-3.2 3,-0.2 -1,-0.3 0.923 104.2 63.1 -80.5 -46.3 15.9 7.7 -11.2 70 78 A D T 345S+ 0 0 51 1,-0.3 -2,-0.2 -3,-0.3 -1,-0.2 0.890 111.5 39.5 -43.3 -51.5 17.6 10.9 -10.0 71 79 A L T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 1,-0.0 -2,-0.2 0.016 113.4-117.5 -89.9 27.0 19.0 9.0 -7.1 72 80 A N T < 5 + 0 0 65 -3,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.716 65.7 147.2 47.1 24.6 19.8 5.9 -9.2 73 81 A Y < - 0 0 61 -5,-2.0 2,-0.3 -6,-0.3 -45,-0.3 0.067 38.7-117.1 -77.0-165.7 17.3 3.8 -7.1 74 82 A E E -c 28 0A 35 -47,-1.6 -45,-2.3 -48,-0.2 2,-0.4 -0.899 7.8-134.3-139.3 163.2 15.1 0.9 -8.2 75 83 A L E -cd 29 124A 0 48,-2.6 50,-2.9 -2,-0.3 2,-0.6 -0.924 2.2-159.9-120.7 143.6 11.5 -0.2 -8.6 76 84 A L E -cd 30 125A 0 -47,-1.8 -45,-2.6 -2,-0.4 2,-0.4 -0.942 18.0-160.7-120.2 102.8 9.9 -3.5 -7.7 77 85 A I E -cd 31 126A 1 48,-2.8 50,-0.8 -2,-0.6 2,-0.4 -0.713 10.9-177.0 -90.9 135.3 6.7 -3.7 -9.8 78 86 A V E -c 32 0A 0 -47,-2.5 -45,-2.0 -2,-0.4 2,-0.1 -0.976 26.3-122.8-144.1 121.5 4.1 -6.2 -8.4 79 87 A S E -c 33 0A 20 -2,-0.4 -45,-0.2 -47,-0.2 2,-0.2 -0.376 27.6-175.4 -68.1 133.8 0.8 -7.1 -9.9 80 88 A Q > + 0 0 3 -47,-2.2 3,-2.1 -78,-0.2 4,-0.2 -0.609 17.5 171.4-137.4 78.8 -2.1 -6.5 -7.6 81 89 A F G > S+ 0 0 98 1,-0.3 3,-1.3 -2,-0.2 4,-0.4 0.761 76.3 73.0 -52.6 -27.2 -5.5 -7.7 -8.9 82 90 A T G 3 S+ 0 0 0 1,-0.2 217,-0.3 2,-0.2 -1,-0.3 0.531 73.3 80.6 -69.9 -10.6 -6.9 -6.9 -5.4 83 91 A L G < S+ 0 0 1 -3,-2.1 -1,-0.2 1,-0.2 216,-0.2 0.698 96.5 45.1 -71.3 -17.0 -6.8 -3.1 -5.9 84 92 A F S < S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-0.2 13,-0.2 0.541 80.1 125.7 -99.6 -15.6 -10.0 -3.2 -7.8 85 93 A G - 0 0 3 -4,-0.4 214,-0.3 -3,-0.1 10,-0.2 -0.281 61.2-138.8 -41.4 106.6 -11.6 -5.5 -5.3 86 94 A N B -M 94 0D 29 8,-1.2 8,-0.7 1,-0.1 4,-0.1 -0.530 24.8-178.6 -68.0 145.4 -14.7 -3.5 -4.5 87 95 A T + 0 0 0 -2,-0.2 -1,-0.1 6,-0.2 -2,-0.1 0.348 64.3 85.4-122.6 -1.4 -15.4 -3.6 -0.8 88 96 A K S S+ 0 0 78 1,-0.1 -2,-0.0 3,-0.1 212,-0.0 0.886 81.8 62.0 -68.0 -42.0 -18.6 -1.5 -0.9 89 97 A K S S- 0 0 77 5,-0.1 2,-0.2 3,-0.1 -1,-0.1 0.919 119.6 -27.4 -49.1 -69.9 -20.8 -4.5 -1.6 90 98 A G S S- 0 0 36 2,-0.8 117,-0.0 -4,-0.1 0, 0.0 -0.561 78.6 -83.6-121.1-160.2 -20.6 -6.8 1.3 91 99 A N S S+ 0 0 50 -2,-0.2 117,-2.1 116,-0.1 -3,-0.1 0.097 113.8 75.4 -93.6 23.6 -17.7 -7.4 3.8 92 100 A K S S- 0 0 73 115,-0.2 -2,-0.8 -5,-0.1 2,-0.2 -0.961 78.7-137.1-125.8 142.2 -16.2 -9.7 1.2 93 101 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.612 9.9-159.9 -99.0 165.4 -14.6 -8.4 -2.0 94 102 A D B -M 86 0D 46 -8,-0.7 -8,-1.2 -2,-0.2 2,-0.9 -0.968 10.1-150.7-145.9 129.9 -14.8 -9.5 -5.7 95 103 A F + 0 0 38 -2,-0.3 -10,-0.1 1,-0.2 -12,-0.1 -0.476 54.7 123.0-107.2 60.3 -12.2 -8.7 -8.3 96 104 A H + 0 0 142 -2,-0.9 -1,-0.2 -12,-0.2 -59,-0.1 0.758 69.5 63.8 -86.5 -31.8 -14.2 -8.6 -11.5 97 105 A L S S+ 0 0 55 -3,-0.5 -60,-2.6 -13,-0.2 -59,-0.2 0.880 84.4 91.0 -56.9 -42.6 -13.1 -5.0 -12.2 98 106 A A B S-K 36 0B 12 -62,-0.2 -62,-0.3 -17,-0.2 -17,-0.1 -0.332 95.2 -94.5 -59.0 136.1 -9.6 -6.2 -12.6 99 107 A K - 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