==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 15-SEP-93 1GTS . COMPND 2 MOLECULE: TRNAGLN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.A.STEITZ J.J.PERONA,M.A.ROULD . 529 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 1 1 2 0 1 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 1 2 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 PARALLEL BRIDGES PER LADDER . 4 3 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 0 0 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 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 8 A T 0 0 132 0, 0.0 2,-0.3 0, 0.0 307,-0.2 0.000 360.0 360.0 360.0 159.3 22.9 27.8 13.7 2 9 A N > - 0 0 28 305,-0.1 4,-1.9 1,-0.0 5,-0.2 -0.850 360.0 -82.6-148.9-177.7 25.2 29.5 16.1 3 10 A F H > S+ 0 0 54 305,-0.6 4,-2.0 -2,-0.3 5,-0.1 0.882 124.6 52.9 -65.0 -34.8 26.1 33.1 17.1 4 11 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 109.2 48.3 -67.8 -42.9 28.6 33.5 14.3 5 12 A R H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.858 107.9 55.5 -68.5 -27.4 26.1 32.4 11.6 6 13 A Q H X S+ 0 0 100 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.931 107.7 49.6 -71.2 -35.8 23.5 34.8 13.1 7 14 A I H X S+ 0 0 25 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.950 110.9 50.0 -59.1 -49.7 26.1 37.6 12.6 8 15 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 109.5 50.1 -61.9 -38.2 26.7 36.5 9.1 9 16 A D H X S+ 0 0 73 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.903 111.8 49.2 -67.2 -37.1 22.9 36.5 8.3 10 17 A E H X S+ 0 0 124 -4,-2.3 4,-2.9 2,-0.2 6,-0.3 0.975 110.8 50.5 -60.9 -50.1 22.6 40.0 9.8 11 18 A D H X>S+ 0 0 14 -4,-3.1 5,-2.2 1,-0.2 6,-1.4 0.876 113.6 43.9 -58.8 -41.5 25.6 41.1 7.7 12 19 A L H ><5S+ 0 0 57 -4,-2.4 3,-1.5 4,-0.2 -1,-0.2 0.982 114.7 50.2 -66.1 -48.7 24.1 39.7 4.5 13 20 A A H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.836 109.9 48.7 -59.1 -40.9 20.6 41.1 5.3 14 21 A S H 3<5S- 0 0 89 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.641 113.9-115.2 -75.8 -14.5 21.8 44.6 6.1 15 22 A G T <<5S+ 0 0 57 -3,-1.5 -3,-0.2 -4,-0.7 -2,-0.1 0.710 78.3 131.4 82.8 20.1 23.8 44.7 2.9 16 23 A K S > -B 285 0B 19 252,-0.3 4,-1.5 253,-0.1 3,-0.7 -0.913 38.7 -86.3-148.0 163.3 44.6 18.0 15.7 34 41 A I H 3> S+ 0 0 2 250,-2.7 4,-1.1 -2,-0.3 251,-0.1 0.771 124.9 58.6 -50.1 -31.9 40.9 17.6 16.5 35 42 A G H >> S+ 0 0 13 2,-0.2 3,-1.5 1,-0.2 4,-1.3 0.985 106.2 49.1 -56.3 -49.8 40.7 21.1 17.9 36 43 A H H <> S+ 0 0 31 -3,-0.7 4,-2.7 1,-0.3 3,-0.4 0.882 102.6 61.6 -57.4 -39.3 41.9 22.4 14.5 37 44 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.3 -1,-0.3 0.799 98.5 57.2 -61.3 -27.5 39.2 20.3 12.9 38 45 A K H S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.7 0.976 110.9 46.8 -58.3 -53.6 38.2 23.8 9.7 41 48 A a H X5S+ 0 0 19 -4,-2.8 4,-1.9 1,-0.2 5,-0.3 0.923 115.7 47.3 -55.3 -41.7 34.6 22.7 9.9 42 49 A L H X5S+ 0 0 12 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.961 119.1 36.3 -64.8 -53.7 33.6 26.2 11.0 43 50 A N H X5S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -21,-0.2 0.961 125.6 36.6 -70.0 -51.2 35.5 28.2 8.5 44 51 A F H X5S+ 0 0 4 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.827 115.3 56.5 -73.9 -27.0 35.1 25.9 5.4 45 52 A G H XS+ 0 0 6 -4,-1.8 5,-3.0 1,-0.2 4,-0.4 0.967 113.1 38.5 -50.5 -61.2 32.0 29.2 3.1 48 55 A Q H ><5S+ 0 0 120 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.857 115.4 53.2 -65.7 -30.2 30.2 26.4 1.3 49 56 A D H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.899 117.3 37.2 -69.0 -34.4 26.9 27.0 3.1 50 57 A Y T 3<5S- 0 0 50 -4,-2.8 -30,-0.3 -3,-0.4 -1,-0.2 0.306 111.1-118.0 -99.1 12.8 26.9 30.6 2.1 51 58 A K T < 5S+ 0 0 190 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.1 0.928 75.2 129.8 49.4 45.7 28.4 29.9 -1.3 52 59 A G < - 0 0 13 -5,-3.0 2,-0.3 -6,-0.2 -31,-0.2 -0.384 59.2 -95.1-111.2-164.9 31.4 32.1 -0.2 53 60 A Q E -a 21 0A 98 -33,-2.1 -31,-1.9 -2,-0.1 2,-0.4 -0.813 24.6-166.0-117.3 160.2 35.1 31.5 -0.2 54 61 A C E -a 22 0A 4 -2,-0.3 32,-2.5 -33,-0.2 -31,-0.3 -0.985 13.2-150.1-145.4 128.3 37.5 30.2 2.5 55 62 A N E -a 23 0A 0 -33,-1.6 -31,-2.7 -2,-0.4 2,-0.6 -0.714 9.5-141.2-103.9 153.3 41.3 30.5 2.2 56 63 A L E +a 24 0A 0 32,-0.5 34,-2.9 30,-0.3 2,-0.5 -0.967 28.9 177.8-104.9 119.2 44.0 28.3 3.6 57 64 A R E -c 90 0C 0 -33,-2.1 2,-0.8 -2,-0.6 34,-0.3 -0.981 26.3-140.1-122.6 123.8 46.7 30.6 4.8 58 65 A F E -c 91 0C 0 32,-2.6 34,-2.6 -2,-0.5 2,-2.4 -0.731 14.9-145.3 -80.0 117.8 49.9 29.2 6.4 59 66 A D + 0 0 12 -33,-2.0 2,-1.3 -2,-0.8 3,-0.4 -0.401 35.2 163.6 -80.7 69.7 50.5 31.7 9.2 60 67 A D + 0 0 0 -2,-2.4 -1,-0.1 1,-0.2 -33,-0.1 -0.330 21.6 125.9 -93.3 64.2 54.3 31.3 8.9 61 68 A T + 0 0 9 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.0 0.724 64.5 61.7 -90.1 -19.9 55.7 34.3 10.7 62 69 A N >> - 0 0 26 -3,-0.4 3,-1.8 1,-0.2 4,-0.5 -0.708 59.3-177.3-116.0 85.5 58.0 32.4 13.1 63 70 A P G >4 S+ 0 0 7 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.818 75.3 64.4 -47.8 -38.4 60.7 30.5 11.1 64 71 A V G 34 S+ 0 0 90 1,-0.3 127,-0.0 125,-0.1 126,-0.0 0.526 109.8 38.7 -73.0 -3.8 62.5 28.8 14.1 65 72 A K G <4 S+ 0 0 122 -3,-1.8 2,-0.3 -35,-0.0 -1,-0.3 0.439 104.2 77.7-118.3 -1.1 59.4 26.8 15.0 66 73 A E << - 0 0 13 -3,-1.2 2,-0.3 -4,-0.5 -37,-0.2 -0.798 51.3-174.6-117.6 155.1 58.0 25.8 11.6 67 74 A D >> - 0 0 77 -39,-1.7 3,-1.3 -2,-0.3 4,-0.8 -0.980 36.5-119.0-145.3 154.3 59.0 23.2 9.0 68 75 A I H >> S+ 0 0 79 -2,-0.3 4,-1.6 1,-0.3 3,-0.5 0.814 106.6 71.9 -65.8 -27.1 58.0 22.3 5.5 69 76 A E H 3> S+ 0 0 99 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.843 99.1 48.4 -52.3 -35.4 57.0 18.8 6.7 70 77 A Y H <> S+ 0 0 30 -3,-1.3 4,-2.5 -42,-0.3 -1,-0.3 0.823 102.3 59.7 -82.1 -23.9 54.0 20.4 8.4 71 78 A V H S+ 0 0 0 -4,-2.4 5,-1.8 -5,-0.2 4,-0.4 0.945 113.0 42.6 -65.4 -42.3 42.3 19.6 5.3 79 86 A E H ><5S+ 0 0 95 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.936 110.3 56.5 -65.3 -46.7 41.6 17.7 2.0 80 87 A W H 3<5S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.865 100.4 57.7 -55.4 -43.4 41.1 14.4 3.8 81 88 A L T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.690 127.6-104.8 -60.8 -16.0 38.4 15.9 6.1 82 89 A G T < 5S+ 0 0 37 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.2 0.741 78.9 121.5 103.6 30.8 36.7 16.7 2.8 83 90 A F < - 0 0 12 -5,-1.8 2,-0.4 -4,-0.1 -1,-0.3 -0.856 39.9-159.4-126.5 155.0 37.3 20.4 2.4 84 91 A H - 0 0 130 -2,-0.3 -30,-0.2 -40,-0.1 2,-0.1 -0.993 15.3-128.2-137.5 140.2 39.0 22.6 -0.2 85 92 A W - 0 0 48 -2,-0.4 2,-0.6 1,-0.1 -30,-0.2 -0.306 29.6-102.4 -79.0 165.4 40.4 26.0 -0.1 86 93 A S S S- 0 0 19 -32,-2.5 2,-0.3 2,-0.1 -30,-0.3 -0.780 79.4 -31.3 -93.5 119.3 39.6 28.8 -2.4 87 94 A G S S- 0 0 57 -2,-0.6 2,-0.2 -32,-0.1 -2,-0.1 -0.564 111.8 -10.9 77.9-132.8 42.2 29.6 -5.0 88 95 A N S S- 0 0 131 -2,-0.3 -32,-0.5 1,-0.1 2,-0.3 -0.526 78.8 -87.7-102.6 169.0 45.8 28.9 -4.1 89 96 A V - 0 0 27 -2,-0.2 2,-0.3 -34,-0.1 -32,-0.2 -0.638 50.2-150.9 -70.8 130.8 47.5 28.0 -0.8 90 97 A R E -c 57 0C 58 -34,-2.9 -32,-2.6 -2,-0.3 2,-0.4 -0.734 10.6-163.5-103.0 158.2 48.3 31.4 0.7 91 98 A Y E >> -c 58 0C 26 -2,-0.3 3,-1.9 -34,-0.3 4,-0.6 -0.999 28.8-130.0-137.6 140.7 51.2 32.1 3.1 92 99 A S G >4 S+ 0 0 0 -34,-2.6 3,-1.8 -2,-0.4 4,-0.2 0.894 110.3 64.8 -53.4 -33.1 51.8 35.1 5.4 93 100 A S G >4 S+ 0 0 8 -35,-0.3 3,-1.1 1,-0.3 4,-0.3 0.681 85.2 71.4 -69.7 -11.8 55.3 35.2 3.8 94 101 A D G <4 S+ 0 0 87 -3,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.920 101.7 45.4 -63.4 -35.3 53.6 36.1 0.5 95 102 A Y G S+ 0 0 3 -3,-1.1 4,-1.7 1,-0.3 -1,-0.2 0.876 82.9 43.7 -56.7 -36.5 56.4 39.9 3.7 97 104 A D H > S+ 0 0 89 -3,-0.5 4,-1.2 -4,-0.3 -1,-0.3 0.858 115.7 50.9 -75.3 -25.6 57.3 42.9 1.3 98 105 A Q H > S+ 0 0 95 -3,-0.4 4,-2.4 -4,-0.2 -2,-0.2 0.901 108.2 49.2 -74.7 -43.8 53.8 44.3 1.9 99 106 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.927 110.1 52.7 -61.8 -44.8 54.0 44.1 5.7 100 107 A H H X S+ 0 0 29 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.797 108.0 50.9 -59.2 -34.7 57.4 45.9 5.6 101 108 A A H X S+ 0 0 51 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.920 111.2 48.0 -69.2 -45.5 55.9 48.7 3.4 102 109 A Y H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.876 106.0 57.4 -60.9 -36.5 53.1 49.1 5.9 103 110 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.953 105.8 51.6 -60.4 -42.5 55.6 49.1 8.8 104 111 A I H X S+ 0 0 57 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.878 105.7 54.5 -61.4 -38.9 57.3 52.1 7.0 105 112 A E H X S+ 0 0 38 -4,-1.8 4,-1.8 2,-0.2 6,-0.2 0.991 109.4 47.2 -56.8 -54.0 53.9 53.9 6.8 106 113 A L H <>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 6,-0.4 0.901 113.4 49.3 -52.9 -43.4 53.5 53.5 10.6 107 114 A I H ><5S+ 0 0 0 -4,-2.6 3,-2.8 1,-0.2 5,-0.4 0.979 109.1 51.2 -61.8 -54.4 57.1 54.8 11.0 108 115 A N H 3<5S+ 0 0 93 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.683 109.6 51.5 -54.8 -26.9 56.5 57.8 8.7 109 116 A K T 3<5S- 0 0 107 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.378 115.0-116.4 -89.6 2.4 53.4 58.7 10.7 110 117 A G T < 5S+ 0 0 22 -3,-2.8 -3,-0.2 -4,-0.2 -2,-0.1 0.605 86.1 117.8 73.0 9.5 55.3 58.6 14.0 111 118 A L S - 0 0 49 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.151 29.3 -98.1 -64.7 170.2 66.7 44.4 25.8 119 126 A P H > S+ 0 0 73 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.864 126.6 46.8 -60.3 -34.1 64.3 41.4 25.9 120 127 A E H >> S+ 0 0 111 2,-0.2 4,-1.8 1,-0.1 3,-0.6 0.959 111.2 51.0 -69.9 -46.4 64.4 41.5 29.7 121 128 A Q H 3> S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.840 100.5 59.3 -63.1 -43.5 63.9 45.2 30.0 122 129 A I H 3X S+ 0 0 16 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.852 107.6 49.3 -56.2 -33.7 60.8 45.5 27.8 123 130 A R H XX S+ 0 0 141 -4,-0.8 3,-0.9 -3,-0.6 4,-0.6 0.965 110.2 50.5 -70.1 -47.1 59.1 43.1 30.2 124 131 A E H 3< S+ 0 0 123 -4,-1.8 3,-0.5 1,-0.3 -2,-0.2 0.850 115.3 43.2 -55.1 -37.5 60.3 45.3 33.2 125 132 A Y H 3< S+ 0 0 54 -4,-2.5 9,-2.8 1,-0.2 -1,-0.3 0.633 95.9 78.5 -87.6 -12.4 58.9 48.4 31.4 126 133 A R H << S- 0 0 86 -4,-1.0 7,-0.3 -3,-0.9 2,-0.2 0.719 91.7-136.4 -72.0 -17.9 55.6 46.8 30.3 127 134 A G < - 0 0 21 -4,-0.6 -1,-0.2 -3,-0.5 2,-0.2 -0.617 20.4 -93.3 92.0-163.9 54.0 47.1 33.7 128 135 A T - 0 0 70 3,-2.6 5,-0.1 -2,-0.2 -4,-0.0 -0.727 47.3 -79.4-135.5-171.2 52.0 44.2 35.2 129 136 A L S S+ 0 0 151 -2,-0.2 47,-0.0 1,-0.2 -2,-0.0 0.804 132.5 27.8 -69.1 -21.0 48.3 43.5 35.2 130 137 A T S S+ 0 0 132 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.742 115.1 63.1-108.2 -29.8 47.7 46.0 37.9 131 138 A Q S S- 0 0 132 1,-0.0 -3,-2.6 0, 0.0 -1,-0.1 -0.852 83.0-124.4 -98.9 131.8 50.5 48.5 37.4 132 139 A P - 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