==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-MAY-08 3D6V . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR W.LIU,E.TIPPMANN,A.V.MACK,P.G.SCHULTZ . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 0.0 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 . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 1 0 4 2 1 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 1 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 . 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 0 0 0 0 0 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 2 A D > 0 0 137 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 137.1 9.7 41.5 -6.0 2 3 A E H > + 0 0 95 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.941 360.0 53.5 -63.4 -43.1 8.9 38.0 -4.7 3 4 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.844 108.7 45.6 -55.7 -45.2 6.5 39.7 -2.3 4 5 A E H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.776 109.6 56.1 -78.2 -28.0 4.6 41.6 -5.0 5 6 A M H < S+ 0 0 56 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.934 111.3 43.5 -63.1 -45.8 4.4 38.5 -7.2 6 7 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.939 115.4 49.7 -63.4 -46.4 2.7 36.6 -4.3 7 8 A K H >< S+ 0 0 69 -4,-2.5 3,-2.0 -5,-0.2 -1,-0.2 0.723 81.7 113.4 -66.0 -28.6 0.4 39.6 -3.6 8 9 A R T 3< S- 0 0 135 -4,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.287 92.8 -1.2 -51.0 123.0 -0.7 40.0 -7.2 9 10 A N T 3 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.600 98.1 125.8 66.7 23.1 -4.4 39.2 -7.4 10 11 A T < - 0 0 25 -3,-2.0 182,-0.3 182,-0.2 -1,-0.2 -0.643 56.8-141.0 -97.0 162.4 -5.0 38.3 -3.7 11 12 A S S S- 0 0 55 180,-3.1 2,-0.3 1,-0.4 181,-0.2 0.798 77.7 -11.9 -92.0 -36.0 -7.7 40.1 -1.8 12 13 A E E -A 191 0A 48 179,-1.6 179,-3.0 2,-0.0 2,-0.4 -0.969 49.8-150.8-160.4 154.8 -5.8 40.3 1.4 13 14 A I E > -A 190 0A 13 -2,-0.3 2,-0.6 177,-0.2 3,-0.5 -0.996 27.3-129.5-122.3 126.4 -2.7 39.0 3.2 14 15 A I E 3 S-A 189 0A 30 175,-3.2 175,-2.2 -2,-0.4 173,-0.1 -0.869 90.1 -1.9-119.5 100.2 -2.7 38.8 7.0 15 16 A S T 3> - 0 0 20 -2,-0.6 4,-2.0 173,-0.2 -1,-0.4 0.653 56.2-168.3-120.9 166.8 -0.3 40.2 7.5 16 17 A E H <> S+ 0 0 77 -3,-0.5 4,-1.7 2,-0.2 5,-0.1 0.858 94.7 54.3 -62.3 -40.4 2.2 41.7 5.1 17 18 A E H > S+ 0 0 138 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.940 110.5 48.1 -60.4 -50.3 5.0 42.4 7.7 18 19 A E H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.889 108.1 55.6 -61.5 -36.0 4.9 38.7 8.8 19 20 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.889 102.4 55.1 -65.7 -30.7 5.0 37.6 5.2 20 21 A R H X S+ 0 0 105 -4,-1.7 4,-1.1 -3,-0.3 -2,-0.2 0.952 109.2 48.8 -68.1 -37.2 8.2 39.6 4.6 21 22 A E H >X S+ 0 0 135 -4,-1.8 3,-1.0 1,-0.2 4,-0.7 0.948 109.0 51.5 -62.8 -48.4 9.8 37.7 7.5 22 23 A V H >< S+ 0 0 13 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.916 104.5 57.7 -54.2 -43.4 8.7 34.3 6.2 23 24 A L H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.803 96.9 64.5 -63.6 -24.8 10.2 35.2 2.7 24 25 A K H << S+ 0 0 165 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.778 86.6 90.6 -63.6 -31.8 13.7 35.7 4.4 25 26 A K S << S- 0 0 87 -3,-1.2 3,-0.1 -4,-0.7 -3,-0.0 -0.287 73.2-137.3 -73.7 158.1 14.0 32.1 5.5 26 27 A D S S+ 0 0 139 1,-0.2 2,-0.4 -2,-0.0 -1,-0.1 0.676 93.9 45.9 -83.2 -29.3 15.5 29.3 3.5 27 28 A E + 0 0 144 -5,-0.1 2,-0.3 32,-0.0 -1,-0.2 -0.991 67.9 150.3-128.7 123.3 12.8 26.8 4.4 28 29 A K - 0 0 20 -2,-0.4 32,-3.0 30,-0.4 2,-0.3 -0.981 21.0-162.2-150.1 141.4 9.1 27.8 4.2 29 30 A S E -b 60 0A 16 -2,-0.3 135,-1.3 30,-0.3 136,-1.2 -0.934 2.1-159.0-133.2 153.1 6.0 25.8 3.5 30 31 A A E -bc 61 165A 0 30,-2.4 32,-2.7 -2,-0.3 2,-0.3 -0.987 8.3-159.9-132.1 139.7 2.4 26.8 2.5 31 32 A I E +bc 62 166A 20 134,-2.3 136,-2.4 -2,-0.4 2,-0.3 -0.913 11.1 178.4-119.8 149.5 -0.7 24.8 2.8 32 33 A I E -b 63 0A 3 30,-1.7 32,-2.4 -2,-0.3 2,-0.4 -0.975 14.5-152.5-138.7 140.5 -4.2 24.9 1.2 33 34 A G E -b 64 0A 44 134,-0.5 2,-0.4 -2,-0.3 32,-0.2 -0.955 10.2-173.0-111.3 146.8 -7.1 22.6 1.9 34 35 A F E -b 65 0A 15 30,-2.5 32,-2.2 -2,-0.4 36,-0.1 -0.995 25.8-130.8-131.2 130.2 -9.9 21.6 -0.5 35 36 A E - 0 0 42 -2,-0.4 32,-0.1 30,-0.2 30,-0.1 -0.635 51.8 -98.0 -60.7 126.5 -13.1 19.5 0.0 36 37 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 49,-0.1 -0.225 46.1-156.6 -52.9 142.1 -13.0 17.0 -2.8 37 38 A S - 0 0 10 47,-0.2 51,-0.1 1,-0.1 3,-0.1 -0.968 24.3-138.4-132.3 133.9 -15.1 18.2 -5.7 38 39 A G S S+ 0 0 50 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.852 99.1 29.7 -59.2 -37.9 -16.8 16.2 -8.5 39 40 A K S S- 0 0 90 -3,-0.0 2,-0.6 175,-0.0 -1,-0.2 -0.991 76.3-143.8-122.8 132.0 -15.8 18.9 -10.9 40 41 A I - 0 0 0 -2,-0.4 174,-2.5 -3,-0.1 175,-0.3 -0.898 31.2-179.0 -93.4 120.1 -12.6 21.2 -10.6 41 42 A H B >> -F 213 0B 14 -2,-0.6 4,-1.8 172,-0.3 3,-1.3 -0.407 45.5 -82.3-116.8-178.6 -13.4 24.7 -11.9 42 43 A L H 3> S+ 0 0 0 170,-1.9 4,-2.3 1,-0.3 5,-0.2 0.771 122.8 64.7 -61.3 -30.2 -11.7 28.0 -12.4 43 44 A G H 3> S+ 0 0 18 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.870 106.1 44.9 -51.1 -40.8 -12.3 28.9 -8.7 44 45 A H H <> S+ 0 0 19 -3,-1.3 4,-2.4 1,-0.2 3,-0.4 0.892 111.7 52.1 -68.6 -44.9 -10.0 26.0 -7.9 45 46 A Y H X S+ 0 0 32 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.847 100.2 60.7 -66.7 -37.8 -7.4 27.0 -10.5 46 47 A L H X S+ 0 0 11 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.915 110.7 43.4 -54.6 -33.1 -7.1 30.6 -9.3 47 48 A Q H X S+ 0 0 22 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.925 109.8 52.8 -84.5 -43.4 -5.9 29.1 -6.0 48 49 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.905 106.9 56.2 -52.2 -43.3 -3.7 26.5 -7.5 49 50 A K H X S+ 0 0 43 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.870 105.7 50.6 -58.4 -34.7 -2.1 29.4 -9.5 50 51 A K H X S+ 0 0 8 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.895 108.3 51.4 -66.7 -40.0 -1.4 31.2 -6.3 51 52 A M H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.775 106.8 53.8 -62.6 -37.4 0.2 28.1 -4.9 52 53 A I H X S+ 0 0 33 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.933 106.8 53.8 -63.2 -46.7 2.5 27.9 -8.1 53 54 A D H X S+ 0 0 33 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.856 110.0 45.6 -44.2 -51.8 3.5 31.5 -7.3 54 55 A L H <>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 3,-0.4 0.866 111.3 53.1 -61.0 -42.5 4.5 30.5 -3.8 55 56 A Q H ><5S+ 0 0 39 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.945 108.0 50.6 -59.6 -46.5 6.3 27.4 -5.2 56 57 A N H 3<5S+ 0 0 108 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.717 106.3 57.3 -59.8 -17.6 8.3 29.7 -7.6 57 58 A A T 3<5S- 0 0 2 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.264 130.1 -92.3-102.5 10.6 9.2 31.8 -4.6 58 59 A G T < 5S+ 0 0 44 -3,-2.1 -30,-0.4 1,-0.3 2,-0.3 0.475 77.6 138.0 98.7 5.3 10.8 28.9 -2.8 59 60 A F < - 0 0 8 -5,-2.3 2,-0.4 -32,-0.1 -30,-0.3 -0.625 53.2-127.3 -89.0 142.8 7.9 27.4 -0.6 60 61 A D E -b 29 0A 94 -32,-3.0 -30,-2.4 -2,-0.3 2,-0.4 -0.776 33.8-137.8 -73.9 137.0 7.3 23.7 -0.2 61 62 A I E -b 30 0A 6 37,-0.4 39,-2.5 -2,-0.4 2,-0.4 -0.863 19.6-171.1-106.7 130.7 3.6 23.2 -1.1 62 63 A I E -bd 31 100A 39 -32,-2.7 -30,-1.7 -2,-0.4 2,-0.5 -0.975 4.5-163.6-121.6 129.6 1.1 21.0 0.9 63 64 A I E -bd 32 101A 0 37,-3.1 39,-2.7 -2,-0.4 2,-0.7 -0.976 7.5-154.0-111.7 121.0 -2.4 20.2 -0.4 64 65 A L E -bd 33 102A 13 -32,-2.4 -30,-2.5 -2,-0.5 2,-1.2 -0.872 6.4-151.4 -97.4 114.7 -4.8 18.8 2.1 65 66 A L E -bd 34 103A 1 37,-3.9 2,-2.5 -2,-0.7 39,-1.7 -0.760 20.4-152.6 -81.8 94.7 -7.5 16.7 0.4 66 67 A A > + 0 0 6 -32,-2.2 4,-1.7 -2,-1.2 5,-0.1 -0.394 34.8 155.6 -85.9 67.2 -10.0 17.6 3.2 67 68 A D H > S+ 0 0 0 -2,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.876 70.3 48.3 -63.1 -41.3 -12.1 14.4 2.9 68 69 A L H > S+ 0 0 16 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.854 108.9 56.0 -66.9 -36.6 -13.6 14.4 6.5 69 70 A F H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 108.5 46.6 -60.5 -44.2 -14.4 18.0 6.1 70 71 A A H <>S+ 0 0 0 -4,-1.7 5,-1.9 2,-0.2 6,-0.3 0.917 109.5 55.7 -65.0 -37.5 -16.5 17.1 2.9 71 72 A Y H ><5S+ 0 0 107 -4,-2.5 3,-1.7 1,-0.2 5,-0.4 0.954 109.7 44.5 -57.2 -52.4 -18.0 14.3 5.0 72 73 A L H 3<5S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 108.9 58.5 -63.4 -30.0 -19.2 16.8 7.7 73 74 A N T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.145 121.0-109.5 -88.8 23.8 -20.4 19.1 5.0 74 75 A Q T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.850 73.7 137.3 62.2 39.9 -22.7 16.4 3.6 75 76 A K < - 0 0 82 -5,-1.9 2,-0.3 1,-0.3 -4,-0.2 0.398 68.7 -91.9 -96.1 -1.8 -20.9 15.5 0.4 76 77 A G - 0 0 27 -5,-0.4 -1,-0.3 -6,-0.3 2,-0.2 -0.864 65.2 -18.7 129.3-165.7 -21.4 11.7 0.9 77 78 A E > - 0 0 124 -2,-0.3 4,-1.8 -3,-0.1 3,-0.2 -0.522 62.9-115.1 -82.3 152.6 -19.7 8.7 2.3 78 79 A L H > S+ 0 0 47 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.833 108.1 47.6 -64.2 -45.0 -16.0 8.8 3.0 79 80 A D H > S+ 0 0 112 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.816 112.9 51.6 -76.3 -25.4 -14.5 6.3 0.7 80 81 A E H > S+ 0 0 81 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.830 112.1 48.4 -60.7 -43.0 -16.5 7.8 -2.2 81 82 A I H X S+ 0 0 2 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.915 107.7 54.1 -66.6 -42.0 -15.1 11.2 -1.0 82 83 A R H X S+ 0 0 87 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.759 108.1 50.8 -65.3 -26.3 -11.5 9.7 -0.9 83 84 A K H X S+ 0 0 134 -4,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.875 108.7 49.0 -79.7 -38.6 -12.0 8.6 -4.5 84 85 A I H X S+ 0 0 46 -4,-2.1 4,-2.5 1,-0.2 3,-0.4 0.942 109.3 55.3 -56.1 -45.6 -13.2 12.1 -5.7 85 86 A G H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.874 103.7 55.2 -54.6 -35.3 -10.0 13.4 -3.8 86 87 A D H X S+ 0 0 67 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.899 109.4 45.1 -65.9 -43.0 -7.9 11.0 -5.9 87 88 A Y H X S+ 0 0 71 -4,-1.5 4,-2.1 -3,-0.4 3,-0.5 0.931 108.7 56.0 -63.8 -50.2 -9.2 12.4 -9.1 88 89 A N H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.867 104.6 55.1 -53.5 -36.1 -8.8 16.1 -7.9 89 90 A K H X S+ 0 0 54 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.3 0.905 104.3 52.8 -69.0 -41.0 -5.2 15.4 -7.2 90 91 A K H X S+ 0 0 112 -4,-1.3 4,-2.2 -3,-0.5 -2,-0.2 0.938 110.5 48.9 -49.0 -52.5 -4.7 14.2 -10.9 91 92 A V H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.909 109.9 50.4 -54.7 -44.5 -6.3 17.5 -12.0 92 93 A F H <>S+ 0 0 0 -4,-2.4 5,-1.4 2,-0.2 -1,-0.2 0.884 109.9 50.4 -68.8 -34.7 -3.9 19.5 -9.7 93 94 A E H ><5S+ 0 0 90 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.907 107.9 52.9 -65.9 -42.0 -0.9 17.7 -11.1 94 95 A A H 3<5S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.740 99.7 64.6 -63.1 -26.4 -2.0 18.5 -14.6 95 96 A M T 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.526 124.7-101.4 -70.7 -5.1 -2.2 22.2 -13.6 96 97 A G T < 5 + 0 0 29 -3,-1.5 2,-0.5 1,-0.3 -3,-0.2 0.718 69.4 153.6 93.5 19.3 1.6 22.2 -13.1 97 98 A L < - 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