==== 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 18-MAY-06 2DQ3 . COMPND 2 MOLECULE: SERYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR Y.ITOH,S.SEKINE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOM . 850 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.5 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 . 46 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 5 3 3 0 0 3 0 0 0 0 0 0 1 2 1 0 0 0 0 1 0 0 1 0 2 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 10 2 0 4 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 8 0 0 0 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 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 X 0 0 50 0, 0.0 361,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 175.1 -27.7 41.1 7.0 2 2 A I - 0 0 17 100,-0.3 2,-0.1 360,-0.1 103,-0.1 -0.755 360.0 -79.8-116.8 163.8 -28.7 37.4 6.6 3 3 A D > - 0 0 42 -2,-0.3 4,-0.9 1,-0.1 5,-0.1 -0.357 24.6-147.5 -63.9 133.9 -32.0 35.5 6.2 4 4 A I H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 3,-0.1 0.833 102.2 55.1 -70.9 -32.9 -34.0 34.9 9.4 5 5 A N H > S+ 0 0 60 1,-0.2 4,-4.0 2,-0.2 5,-0.4 0.918 100.2 59.0 -64.8 -44.8 -35.2 31.7 7.9 6 6 A L H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 8,-0.3 0.835 109.6 44.6 -53.9 -33.6 -31.7 30.5 7.3 7 7 A I H < S+ 0 0 0 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.919 115.9 45.8 -78.1 -43.7 -31.1 30.8 11.0 8 8 A R H < S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.927 120.0 40.0 -61.1 -49.7 -34.4 29.1 11.9 9 9 A E H < S+ 0 0 146 -4,-4.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 134.5 17.1 -72.8 -32.3 -33.9 26.3 9.4 10 10 A K X + 0 0 127 -4,-1.5 4,-2.1 -5,-0.4 5,-0.2 -0.240 65.8 149.3-139.3 50.7 -30.2 25.8 10.0 11 11 A P H > S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.843 75.1 63.3 -53.6 -33.0 -29.1 27.4 13.3 12 12 A D H > S+ 0 0 142 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.984 107.8 39.1 -52.0 -66.2 -26.5 24.7 13.6 13 13 A Y H >> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.890 111.0 56.8 -52.6 -50.3 -24.6 25.8 10.4 14 14 A V H 3X S+ 0 0 2 -4,-2.1 4,-2.5 -8,-0.3 5,-0.3 0.918 108.7 49.8 -51.8 -42.9 -25.0 29.5 11.0 15 15 A K H 3X S+ 0 0 49 -4,-2.1 4,-1.5 -3,-0.4 -1,-0.3 0.830 107.7 51.4 -66.1 -34.3 -23.3 29.1 14.4 16 16 A E H << S+ 0 0 101 -4,-1.4 4,-0.4 -3,-0.5 -1,-0.2 0.829 113.9 45.2 -74.4 -28.9 -20.4 27.1 13.0 17 17 A R H >< S+ 0 0 16 -4,-2.1 3,-1.3 2,-0.2 4,-0.3 0.906 112.8 46.9 -81.2 -42.4 -19.7 29.7 10.4 18 18 A L H >X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 3,-1.9 0.873 106.5 64.1 -63.0 -32.1 -20.0 32.7 12.7 19 19 A A T 3< S+ 0 0 44 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.3 0.725 91.5 61.5 -62.5 -22.8 -17.8 30.7 14.9 20 20 A T T <4 S+ 0 0 18 -3,-1.3 96,-0.5 -4,-0.4 -1,-0.3 0.575 110.2 42.1 -80.8 -7.3 -15.0 30.9 12.4 21 21 A R T <4 S- 0 0 32 -3,-1.9 2,-0.2 -4,-0.3 -2,-0.2 0.817 139.5 -22.5 -98.7 -50.9 -15.1 34.6 12.9 22 22 A D >< - 0 0 79 -4,-2.4 3,-3.1 1,-0.1 4,-0.5 -0.804 45.9-139.1-167.9 119.3 -15.5 34.6 16.6 23 23 A K G > S+ 0 0 136 1,-0.3 3,-0.7 -4,-0.3 4,-0.3 0.738 104.9 67.9 -50.2 -25.0 -16.7 32.0 19.1 24 24 A E G 3 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.529 88.1 67.0 -74.4 -7.0 -18.4 35.0 20.9 25 25 A L G X> S+ 0 0 20 -3,-3.1 3,-2.1 -7,-0.2 4,-0.7 0.761 76.8 80.0 -83.9 -29.0 -20.8 35.4 17.9 26 26 A V H X> S+ 0 0 51 -3,-0.7 4,-1.3 -4,-0.5 3,-0.9 0.815 85.0 64.5 -47.8 -32.4 -22.5 32.1 18.5 27 27 A S H 3> S+ 0 0 61 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.3 0.827 90.1 64.8 -62.4 -34.2 -24.6 33.9 21.1 28 28 A L H <> S+ 0 0 35 -3,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.813 100.4 51.6 -59.2 -34.0 -26.1 36.2 18.5 29 29 A V H 4 S+ 0 0 29 -4,-0.5 3,-0.9 -3,-0.3 4,-0.2 0.819 108.6 43.5 -92.9 -38.9 -74.4 41.7 23.2 62 62 A K G >< S+ 0 0 108 -4,-1.4 3,-0.6 1,-0.2 -2,-0.1 0.669 111.4 59.1 -77.1 -18.2 -76.9 39.0 22.7 63 63 A L G 3 S+ 0 0 55 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.446 77.9 89.3 -88.6 -3.4 -77.4 39.1 26.4 64 64 A K G < + 0 0 152 -3,-0.9 2,-3.2 1,-0.2 3,-0.2 0.818 66.0 85.5 -61.3 -30.9 -78.4 42.8 26.1 65 65 A R S < S- 0 0 141 -3,-0.6 -1,-0.2 -4,-0.2 -3,-0.0 -0.389 122.6 -55.4 -72.4 66.7 -81.9 41.4 25.7 66 66 A E S S+ 0 0 154 -2,-3.2 2,-0.3 1,-0.2 -1,-0.2 0.902 92.0 116.6 54.7 117.4 -82.2 41.3 29.5 67 67 A G - 0 0 27 -3,-0.2 -1,-0.2 -7,-0.0 3,-0.1 -0.806 49.8-140.2 170.9 156.3 -79.7 39.5 31.7 68 68 A K S S+ 0 0 174 -2,-0.3 4,-0.3 1,-0.1 -4,-0.0 0.440 74.8 103.4-113.6 -3.9 -77.3 40.8 34.4 69 69 A D >> + 0 0 74 1,-0.2 2,-3.7 2,-0.1 4,-1.5 0.708 51.7 106.8 -50.5 -21.0 -74.3 38.6 33.6 70 70 A T T 34 S+ 0 0 53 1,-0.2 -1,-0.2 3,-0.2 -10,-0.0 -0.157 78.9 40.4 -60.6 52.5 -72.9 41.7 32.0 71 71 A T T 34 S+ 0 0 94 -2,-3.7 -1,-0.2 0, 0.0 4,-0.2 0.232 108.4 51.1-162.6 -42.7 -70.3 42.4 34.7 72 72 A E T <4 S+ 0 0 156 -3,-1.0 4,-0.3 -4,-0.3 -2,-0.2 0.700 129.6 30.7 -76.2 -19.1 -68.8 39.0 35.8 73 73 A I S X S+ 0 0 16 -4,-1.5 4,-1.6 2,-0.2 5,-0.2 0.747 111.7 61.4-103.8 -40.8 -68.3 38.8 32.1 74 74 A Q T 4 S+ 0 0 85 -5,-0.5 4,-0.3 1,-0.2 -2,-0.2 0.462 110.5 46.6 -68.9 1.7 -67.8 42.4 31.2 75 75 A N T > S+ 0 0 73 2,-0.2 4,-3.3 -4,-0.2 5,-0.3 0.665 104.5 55.9-109.1 -34.4 -64.8 42.2 33.5 76 76 A R H > S+ 0 0 143 -4,-0.3 4,-0.6 1,-0.2 -2,-0.2 0.739 114.5 45.0 -67.9 -20.1 -63.5 39.0 32.0 77 77 A V H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.840 115.0 44.5 -88.4 -39.8 -63.6 41.0 28.8 78 78 A K H > S+ 0 0 108 -4,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.842 115.3 48.4 -72.7 -34.0 -62.0 44.2 30.4 79 79 A E H < S+ 0 0 98 -4,-3.3 -1,-0.2 2,-0.2 -3,-0.2 0.869 114.8 49.5 -70.1 -36.4 -59.4 42.1 32.2 80 80 A L H >X S+ 0 0 19 -4,-0.6 3,-1.3 -5,-0.3 4,-1.0 0.933 111.3 43.5 -68.4 -53.4 -58.8 40.3 28.8 81 81 A K H 3X S+ 0 0 116 -4,-2.8 4,-1.1 1,-0.3 -1,-0.2 0.674 103.9 66.9 -71.2 -16.3 -58.4 43.4 26.6 82 82 A E H 3< S+ 0 0 99 -4,-0.9 -1,-0.3 -5,-0.2 4,-0.2 0.583 107.7 40.8 -80.5 -5.5 -56.2 45.1 29.1 83 83 A E H <> S+ 0 0 55 -3,-1.3 4,-1.5 -4,-0.2 -2,-0.2 0.619 101.1 66.6-111.7 -20.1 -53.6 42.4 28.4 84 84 A I H X S+ 0 0 7 -4,-1.0 4,-2.9 2,-0.2 -2,-0.1 0.916 109.0 41.7 -68.1 -39.2 -53.9 42.1 24.7 85 85 A D H X S+ 0 0 56 -4,-1.1 4,-3.2 2,-0.2 -1,-0.2 0.898 106.7 62.7 -72.5 -35.2 -52.5 45.6 24.4 86 86 A R H 4 S+ 0 0 135 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.846 114.6 35.6 -54.0 -33.3 -50.0 44.7 27.2 87 87 A L H >X S+ 0 0 8 -4,-1.5 3,-2.7 2,-0.2 4,-1.8 0.866 110.8 57.7 -88.9 -41.2 -48.7 42.2 24.7 88 88 A E H 3X S+ 0 0 62 -4,-2.9 4,-2.2 1,-0.3 3,-0.3 0.911 105.8 55.5 -52.8 -41.0 -49.2 44.2 21.5 89 89 A E H 3< S+ 0 0 82 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.314 111.8 42.6 -74.6 5.7 -47.0 46.7 23.2 90 90 A E H <> S+ 0 0 51 -3,-2.7 4,-1.2 -5,-0.1 -1,-0.2 0.518 109.0 54.4-122.5 -22.7 -44.3 44.0 23.7 91 91 A L H X S+ 0 0 27 -4,-1.8 4,-3.3 -3,-0.3 5,-0.3 0.901 110.7 48.8 -75.8 -44.8 -44.6 42.4 20.2 92 92 A R H X S+ 0 0 147 -4,-2.2 4,-1.5 -5,-0.3 3,-0.2 0.979 118.0 41.3 -53.7 -57.4 -44.0 45.8 18.8 93 93 A K H > S+ 0 0 125 -5,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.723 114.7 50.9 -66.3 -23.7 -41.1 46.0 21.2 94 94 A V H X S+ 0 0 15 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.824 107.9 51.6 -84.5 -30.3 -40.0 42.4 20.6 95 95 A E H X S+ 0 0 89 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.805 105.9 58.2 -74.3 -26.4 -39.9 42.8 16.9 96 96 A E H X S+ 0 0 118 -4,-1.5 4,-2.3 -5,-0.3 5,-0.3 0.992 108.1 42.8 -64.6 -61.1 -37.7 45.9 17.4 97 97 A E H X S+ 0 0 82 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.733 113.0 56.4 -59.5 -18.5 -35.0 44.1 19.2 98 98 A L H X S+ 0 0 18 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.960 107.3 46.5 -74.5 -51.5 -35.3 41.3 16.6 99 99 A K H X S+ 0 0 138 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.927 116.1 45.5 -52.5 -51.9 -34.7 43.6 13.7 100 100 A N H X S+ 0 0 63 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.918 108.5 54.7 -60.2 -49.6 -31.7 45.3 15.4 101 101 A T H >< S+ 0 0 5 -4,-1.7 3,-1.5 -5,-0.3 4,-0.3 0.919 106.9 53.0 -52.7 -43.1 -30.1 42.0 16.6 102 102 A L H >< S+ 0 0 17 -4,-2.2 3,-1.7 1,-0.3 -100,-0.3 0.897 101.8 57.8 -61.1 -40.8 -30.2 40.8 13.0 103 103 A L H 3< S+ 0 0 18 -4,-1.6 110,-0.3 1,-0.3 -1,-0.3 0.581 101.6 59.9 -66.6 -7.8 -28.4 43.9 11.8 104 104 A W T << S+ 0 0 110 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.449 80.8 98.9 -99.3 -2.6 -25.5 43.0 14.2 105 105 A I S < S- 0 0 0 -3,-1.7 3,-0.1 -4,-0.3 -103,-0.1 -0.742 70.5-132.0 -90.2 125.9 -24.7 39.7 12.7 106 106 A P - 0 0 3 0, 0.0 224,-0.2 0, 0.0 2,-0.1 -0.189 36.0 -82.9 -67.6 168.7 -21.7 39.6 10.3 107 107 A N - 0 0 8 222,-2.3 224,-0.1 221,-0.2 221,-0.1 -0.416 45.7-108.8 -71.5 144.4 -21.9 37.8 6.9 108 108 A L - 0 0 19 -2,-0.1 -1,-0.1 -3,-0.1 -90,-0.1 -0.630 39.2-119.5 -76.1 122.8 -21.4 34.1 6.9 109 109 A P - 0 0 1 0, 0.0 224,-0.2 0, 0.0 223,-0.1 -0.337 29.1-103.4 -64.6 146.7 -18.0 33.4 5.3 110 110 A H > - 0 0 48 222,-2.9 3,-2.3 1,-0.1 214,-0.1 -0.401 27.6-118.4 -67.6 141.6 -18.0 31.4 2.2 111 111 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 222,-0.0 0.836 111.2 68.0 -50.7 -33.6 -16.8 27.8 2.7 112 112 A S T 3 S+ 0 0 55 2,-0.1 221,-0.1 221,-0.0 -2,-0.0 0.693 80.2 101.1 -60.6 -19.7 -13.8 28.4 0.3 113 113 A V S < S- 0 0 5 -3,-2.3 210,-0.1 219,-0.2 2,-0.1 -0.488 78.1-121.9 -72.8 132.2 -12.4 30.8 2.9 114 114 A P - 0 0 36 0, 0.0 210,-2.2 0, 0.0 2,-0.3 -0.421 28.6-114.6 -70.9 148.2 -9.6 29.4 5.1 115 115 A V + 0 0 97 208,-0.2 2,-0.3 209,-0.1 208,-0.1 -0.650 48.2 147.4 -88.2 142.2 -10.2 29.4 8.8 116 116 A G - 0 0 8 -96,-0.5 209,-1.0 -2,-0.3 3,-0.1 -0.986 49.4-133.0-166.1 162.4 -8.0 31.5 11.1 117 117 A E S S- 0 0 163 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.790 83.1 -22.8 -91.3 -35.9 -8.0 33.6 14.3 118 118 A D S > S- 0 0 61 208,-0.0 3,-2.8 209,-0.0 208,-0.2 -0.886 89.1 -52.6-158.6-170.5 -6.3 36.7 12.8 119 119 A E G > S+ 0 0 113 1,-0.3 3,-1.3 -2,-0.3 204,-0.1 0.675 119.6 66.8 -46.1 -29.4 -4.0 38.3 10.2 120 120 A K G 3 S+ 0 0 179 1,-0.3 -1,-0.3 3,-0.0 -4,-0.0 0.700 97.5 56.3 -68.2 -20.3 -1.3 35.7 10.7 121 121 A D G < S+ 0 0 70 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.166 77.7 118.7 -99.4 14.6 -3.6 33.1 9.3 122 122 A N < - 0 0 33 -3,-1.3 2,-0.5 201,-0.1 200,-0.2 -0.495 61.9-128.5 -75.7 154.5 -4.2 34.8 6.0 123 123 A V E -A 321 0A 70 198,-2.1 198,-2.7 -2,-0.1 2,-0.2 -0.928 9.5-130.8-113.7 122.9 -3.1 32.8 3.0 124 124 A E E -A 320 0A 77 -2,-0.5 196,-0.3 196,-0.2 3,-0.1 -0.498 23.8-179.5 -70.0 131.1 -0.9 34.2 0.2 125 125 A V E - 0 0 52 194,-3.2 2,-0.2 1,-0.3 195,-0.2 0.620 57.0 -24.8-107.7 -16.0 -2.3 33.5 -3.3 126 126 A R E -A 319 0A 77 193,-0.9 193,-3.2 2,-0.0 -1,-0.3 -0.831 52.0-141.3 171.8 153.6 0.2 35.1 -5.7 127 127 A R E -A 318 0A 139 191,-0.3 2,-0.3 -2,-0.2 191,-0.3 -0.764 6.2-164.6-124.8 170.9 2.9 37.7 -6.2 128 128 A W E +A 317 0A 94 189,-2.7 189,-2.9 1,-0.3 -2,-0.0 -0.948 54.6 12.5-158.5 135.9 4.1 40.2 -8.8 129 129 A G S S- 0 0 25 -2,-0.3 -1,-0.3 187,-0.3 188,-0.1 0.303 74.1-101.7 76.0 154.3 7.3 42.1 -9.1 130 130 A E - 0 0 169 -3,-0.1 3,-0.1 186,-0.1 -1,-0.1 -0.950 40.8-109.3-113.7 115.3 10.6 41.7 -7.2 131 131 A P - 0 0 47 0, 0.0 -2,-0.0 0, 0.0 184,-0.0 -0.153 44.6 -99.4 -47.0 125.3 11.2 44.3 -4.4 132 132 A R - 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