==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-MAY-07 2PXH . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR W.LIU,J.XIE,P.G.SCHULTZ . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.2 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 39.9 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 0 2 3 1 1 0 0 0 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 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 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 0 126 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-173.7 -40.4 9.9 11.5 2 3 A E H > + 0 0 87 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 360.0 52.6 -65.0 -46.2 -37.2 8.7 13.2 3 4 A F H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.937 113.4 44.7 -50.3 -51.2 -39.0 6.3 15.6 4 5 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.854 112.3 51.1 -64.9 -37.4 -40.8 4.7 12.6 5 6 A M H < S+ 0 0 122 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.872 113.8 45.5 -65.3 -40.8 -37.6 4.5 10.5 6 7 A I H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.920 114.5 48.6 -65.0 -44.3 -35.9 2.9 13.5 7 8 A K H >< S+ 0 0 73 -4,-3.0 3,-2.4 -5,-0.2 -2,-0.2 0.766 81.9 118.4 -70.8 -24.7 -38.8 0.5 14.0 8 9 A R T 3< S- 0 0 124 -4,-1.7 3,-0.1 1,-0.3 -3,-0.0 -0.192 90.6 -5.1 -52.2 124.2 -39.1 -0.5 10.4 9 10 A N T 3 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.640 98.1 136.2 67.3 18.4 -38.5 -4.3 10.0 10 11 A T < - 0 0 25 -3,-2.4 182,-0.3 182,-0.2 -1,-0.3 -0.646 53.6-143.2 -88.3 156.6 -37.6 -4.8 13.6 11 12 A S S S- 0 0 58 180,-2.8 2,-0.3 1,-0.4 181,-0.2 0.826 77.4 -16.5 -84.0 -37.9 -39.0 -7.8 15.5 12 13 A E E -A 191 0A 40 179,-1.6 179,-3.2 -3,-0.1 2,-0.4 -0.977 47.5-146.3-164.8 152.8 -39.4 -5.8 18.8 13 14 A I E > -A 190 0A 17 -2,-0.3 2,-1.0 177,-0.2 3,-0.6 -0.995 28.8-131.2-122.2 118.3 -38.4 -2.7 20.6 14 15 A I E 3 S-A 189 0A 25 175,-3.5 175,-1.3 -2,-0.4 -2,-0.0 -0.785 91.8 -3.9 -96.0 117.4 -38.1 -3.2 24.4 15 16 A S T 3> - 0 0 25 -2,-1.0 4,-2.4 173,-0.2 -1,-0.3 0.907 58.6-165.6 3.2 124.0 -39.9 -0.4 25.2 16 17 A E H <> S+ 0 0 59 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.893 98.3 56.2 -57.1 -39.2 -41.1 1.9 22.5 17 18 A E H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 108.0 47.3 -62.4 -41.2 -41.8 4.4 25.4 18 19 A E H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 110.6 50.7 -68.1 -40.3 -38.2 4.1 26.5 19 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.905 106.9 54.5 -62.8 -39.2 -36.9 4.6 23.0 20 21 A R H X S+ 0 0 109 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.924 108.2 50.7 -59.4 -41.3 -39.1 7.7 22.6 21 22 A E H >< S+ 0 0 147 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.921 111.1 48.2 -58.3 -47.3 -37.4 9.0 25.7 22 23 A V H >< S+ 0 0 15 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.887 104.3 59.1 -58.9 -40.9 -34.0 8.3 24.2 23 24 A L H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.712 95.7 64.4 -67.0 -18.1 -34.9 10.0 20.9 24 25 A K T << S+ 0 0 167 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.760 89.0 88.3 -71.3 -21.9 -35.5 13.2 22.9 25 26 A K < - 0 0 82 -3,-1.5 3,-0.1 -4,-0.5 -3,-0.0 -0.491 69.2-148.0 -77.2 147.0 -31.8 13.3 23.8 26 27 A D S S+ 0 0 141 1,-0.2 2,-0.7 -2,-0.2 -1,-0.1 0.881 89.2 49.2 -76.2 -46.2 -29.2 15.0 21.7 27 28 A E S S+ 0 0 147 32,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.885 74.8 151.8-100.7 116.2 -26.4 12.7 22.5 28 29 A K E -b 59 0A 19 -2,-0.7 32,-2.8 30,-0.5 2,-0.4 -0.994 23.9-158.6-143.9 145.8 -27.4 9.1 22.2 29 30 A S E -b 60 0A 21 -2,-0.3 136,-1.8 30,-0.2 135,-1.8 -0.957 4.6-164.2-132.4 150.3 -25.6 5.9 21.4 30 31 A A E -bc 61 165A 0 30,-2.5 32,-2.4 -2,-0.4 2,-0.3 -0.978 11.6-170.3-129.9 141.1 -26.4 2.5 20.1 31 32 A G E +bc 62 166A 0 134,-2.4 136,-2.9 -2,-0.4 2,-0.3 -0.926 12.1 175.0-129.8 158.3 -24.3 -0.6 20.2 32 33 A I E -b 63 0A 2 30,-1.4 32,-2.9 -2,-0.3 2,-0.3 -0.951 14.0-156.2-146.6 154.5 -24.2 -4.1 18.8 33 34 A G E -b 64 0A 31 134,-0.4 2,-0.4 -2,-0.3 32,-0.2 -0.987 3.7-165.0-134.4 153.4 -21.6 -6.8 19.2 34 35 A F E -b 65 0A 21 30,-2.2 32,-2.5 -2,-0.3 36,-0.1 -0.999 26.3-125.7-132.5 132.5 -20.7 -9.8 17.0 35 36 A E - 0 0 33 -2,-0.4 32,-0.1 30,-0.2 30,-0.0 -0.658 57.9 -93.4 -62.7 128.8 -18.6 -12.8 17.8 36 37 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.221 47.9-156.2 -56.6 141.6 -16.2 -12.6 14.8 37 38 A S - 0 0 11 47,-0.3 3,-0.0 1,-0.1 -3,-0.0 -0.956 22.8-137.4-126.1 134.3 -17.5 -14.7 11.9 38 39 A G S S+ 0 0 52 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.787 99.0 33.2 -60.5 -30.0 -15.5 -16.3 9.1 39 40 A K S S- 0 0 89 -3,-0.0 2,-0.6 175,-0.0 -1,-0.1 -0.993 76.3-143.9-127.6 139.7 -18.3 -15.2 6.7 40 41 A I - 0 0 0 -2,-0.4 174,-2.7 3,-0.0 175,-0.4 -0.900 32.4-175.7-102.9 121.2 -20.5 -12.1 7.0 41 42 A H B > -F 213 0B 14 -2,-0.6 4,-2.2 172,-0.3 3,-0.2 -0.414 43.8 -83.2-117.0-173.0 -24.0 -13.0 5.9 42 43 A L H > S+ 0 0 0 170,-1.5 4,-2.7 1,-0.2 5,-0.1 0.797 124.0 61.6 -65.9 -29.4 -27.4 -11.5 5.3 43 44 A G H > S+ 0 0 14 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.937 107.8 42.9 -54.4 -52.3 -28.1 -11.8 9.0 44 45 A H H > S+ 0 0 17 -3,-0.2 4,-2.2 1,-0.2 3,-0.2 0.901 113.3 52.2 -58.4 -45.9 -25.3 -9.5 9.8 45 46 A Y H X S+ 0 0 30 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.894 102.9 58.4 -63.8 -42.1 -26.2 -7.2 7.1 46 47 A L H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.910 110.9 43.1 -51.6 -41.7 -29.7 -6.9 8.3 47 48 A Q H X S+ 0 0 13 -4,-1.4 4,-2.4 -3,-0.2 -2,-0.2 0.858 112.1 50.8 -76.3 -38.1 -28.4 -5.7 11.7 48 49 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.880 106.9 56.0 -65.3 -40.1 -25.8 -3.3 10.3 49 50 A K H X S+ 0 0 51 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.909 109.4 47.2 -50.7 -46.1 -28.6 -1.9 8.1 50 51 A K H X S+ 0 0 7 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.890 108.1 53.6 -66.7 -39.3 -30.5 -1.3 11.4 51 52 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.860 107.6 52.3 -57.8 -40.4 -27.4 0.3 12.9 52 53 A I H X S+ 0 0 36 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.898 105.3 55.2 -61.3 -41.9 -27.3 2.6 9.9 53 54 A D H X S+ 0 0 40 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.926 110.8 44.6 -54.0 -49.2 -30.9 3.5 10.6 54 55 A L H <>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 3,-0.3 0.916 111.9 52.1 -63.2 -44.2 -29.9 4.5 14.1 55 56 A Q H ><5S+ 0 0 57 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.926 109.0 50.5 -56.9 -43.9 -26.9 6.4 12.8 56 57 A N H 3<5S+ 0 0 122 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.800 105.5 58.7 -62.0 -26.3 -29.2 8.3 10.4 57 58 A A T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.245 130.8 -91.4 -90.8 10.6 -31.4 9.1 13.4 58 59 A G T < 5S+ 0 0 41 -3,-1.6 -30,-0.5 1,-0.3 2,-0.3 0.536 79.9 140.3 97.2 10.2 -28.5 10.9 15.3 59 60 A F E < -b 28 0A 4 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.643 51.7-130.9 -84.1 137.4 -27.1 7.9 17.3 60 61 A D E -b 29 0A 90 -32,-2.8 -30,-2.5 -2,-0.3 2,-0.4 -0.756 32.9-140.6 -76.0 136.2 -23.4 7.5 17.7 61 62 A I E -b 30 0A 7 -2,-0.4 39,-2.4 37,-0.2 2,-0.4 -0.854 20.7-173.6-112.0 134.4 -22.7 3.8 16.8 62 63 A I E -bd 31 100A 27 -32,-2.4 -30,-1.4 -2,-0.4 2,-0.5 -0.991 6.2-162.8-124.0 133.7 -20.4 1.4 18.5 63 64 A I E -bd 32 101A 0 37,-2.6 39,-2.5 -2,-0.4 2,-0.7 -0.973 11.0-148.4-111.7 122.2 -19.7 -2.1 17.2 64 65 A Y E -bd 33 102A 28 -32,-2.9 -30,-2.2 -2,-0.5 2,-1.2 -0.857 5.4-151.6 -93.5 118.0 -18.1 -4.5 19.6 65 66 A L E -bd 34 103A 1 37,-2.7 2,-2.6 -2,-0.7 39,-1.6 -0.816 24.5-149.0 -78.9 96.7 -15.8 -7.0 17.9 66 67 A A > + 0 0 17 -32,-2.5 4,-2.0 -2,-1.2 5,-0.2 -0.358 39.3 153.0 -81.3 68.8 -16.7 -9.5 20.6 67 68 A D H > S+ 0 0 0 -2,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.907 72.1 46.4 -65.1 -42.9 -13.4 -11.4 20.7 68 69 A L H > S+ 0 0 11 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.896 111.5 52.1 -68.8 -38.7 -13.6 -12.5 24.4 69 70 A A H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.872 110.8 48.6 -57.5 -45.4 -17.2 -13.6 24.0 70 71 A A H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 6,-0.3 0.865 110.5 51.4 -65.2 -36.4 -16.2 -15.7 21.0 71 72 A Y H ><5S+ 0 0 108 -4,-2.1 3,-1.8 1,-0.2 5,-0.3 0.986 111.6 45.7 -62.7 -54.3 -13.3 -17.1 23.0 72 73 A L H 3<5S+ 0 0 24 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 110.0 57.8 -53.4 -31.0 -15.7 -18.0 25.8 73 74 A N T 3<5S- 0 0 3 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.015 120.9-105.0 -97.4 30.3 -18.1 -19.4 23.1 74 75 A Q T < 5S+ 0 0 72 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.777 75.9 136.1 62.7 32.3 -15.5 -21.9 21.8 75 76 A K < - 0 0 73 -5,-2.7 2,-0.3 1,-0.3 -4,-0.2 0.512 68.3 -98.9 -90.9 -3.0 -14.5 -20.1 18.6 76 77 A G - 0 0 28 -5,-0.3 -1,-0.3 -6,-0.3 2,-0.2 -0.903 65.7 -13.6 129.7-157.3 -10.8 -20.6 19.0 77 78 A E > - 0 0 120 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.590 58.7-119.6 -86.1 151.3 -7.8 -18.6 20.2 78 79 A L H > S+ 0 0 36 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.839 110.7 54.4 -56.2 -41.4 -8.0 -14.9 20.8 79 80 A D H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.950 114.6 40.5 -64.2 -44.7 -5.3 -14.0 18.3 80 81 A E H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 114.1 53.8 -64.0 -45.2 -7.1 -15.8 15.5 81 82 A I H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.934 107.7 51.6 -57.5 -43.3 -10.5 -14.6 16.7 82 83 A R H X S+ 0 0 91 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.833 104.8 54.6 -65.5 -37.5 -9.1 -11.0 16.5 83 84 A K H X S+ 0 0 137 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.926 109.9 47.6 -58.5 -47.4 -7.9 -11.4 12.9 84 85 A I H X S+ 0 0 49 -4,-2.1 4,-2.4 1,-0.2 -47,-0.3 0.876 109.0 55.1 -59.1 -39.1 -11.4 -12.5 11.9 85 86 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.856 105.6 51.8 -63.2 -36.9 -12.8 -9.5 13.8 86 87 A D H X S+ 0 0 73 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.893 109.9 48.8 -67.0 -38.4 -10.5 -7.2 11.8 87 88 A Y H X S+ 0 0 70 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.906 110.0 52.2 -62.8 -42.8 -11.9 -8.8 8.6 88 89 A N H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.912 105.4 54.8 -60.9 -45.6 -15.5 -8.3 9.9 89 90 A K H X S+ 0 0 47 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.908 107.0 52.0 -49.0 -50.4 -14.7 -4.6 10.6 90 91 A K H X S+ 0 0 95 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.910 109.8 47.9 -57.1 -45.5 -13.7 -4.3 6.9 91 92 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.938 111.4 50.0 -60.2 -45.6 -16.9 -5.8 5.8 92 93 A F H <>S+ 0 0 0 -4,-2.7 5,-1.8 2,-0.2 -2,-0.2 0.875 111.6 48.7 -62.1 -39.3 -19.0 -3.5 8.0 93 94 A E H ><5S+ 0 0 54 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.927 108.4 53.6 -64.1 -44.4 -17.1 -0.5 6.7 94 95 A A H 3<5S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.797 100.1 63.2 -57.8 -31.9 -17.7 -1.8 3.1 95 96 A M T 3<5S- 0 0 12 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.524 125.7-102.5 -68.9 -5.7 -21.5 -1.9 4.1 96 97 A G T < 5S+ 0 0 38 -3,-2.0 2,-0.7 1,-0.3 -3,-0.2 0.585 76.1 140.2 94.6 11.7 -21.3 1.9 4.6 97 98 A L < - 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