==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (LIGASE/TRNA) 15-SEP-93 1GTR . COMPND 2 MOLECULE: RNA (74-MER); . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.A.ROULD,J.J.PERONA,T.A.STEITZ . 529 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 64.8 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 . 72 13.6 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 . 4 0.8 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 . 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 22.5 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 2 0 1 1 1 2 3 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 . 3 2 3 2 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 1 1 1 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 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 0 135 0, 0.0 2,-0.3 0, 0.0 307,-0.2 0.000 360.0 360.0 360.0 152.4 23.2 28.4 13.5 2 9 A N > - 0 0 27 305,-0.1 4,-1.9 307,-0.0 5,-0.2 -0.877 360.0 -77.0-153.9-177.4 25.3 30.1 16.1 3 10 A F H > S+ 0 0 56 305,-0.7 4,-1.6 -2,-0.3 5,-0.1 0.861 127.1 51.2 -63.3 -33.2 26.2 33.7 17.2 4 11 A I H > S+ 0 0 0 2,-0.2 4,-2.2 304,-0.2 -1,-0.2 0.875 109.6 49.3 -72.2 -35.2 28.7 34.2 14.3 5 12 A R H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.848 108.8 53.0 -74.4 -28.3 26.2 33.1 11.6 6 13 A Q H X S+ 0 0 99 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.871 109.3 50.4 -69.7 -34.1 23.6 35.4 13.1 7 14 A I H X S+ 0 0 32 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.925 110.5 48.7 -66.3 -44.5 26.2 38.2 12.8 8 15 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.863 109.6 52.4 -66.8 -34.5 26.8 37.3 9.1 9 16 A D H X S+ 0 0 77 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.904 109.4 49.2 -66.2 -40.7 23.1 37.2 8.4 10 17 A E H X S+ 0 0 123 -4,-1.8 4,-2.4 1,-0.2 6,-0.3 0.851 110.2 52.6 -65.1 -34.9 22.7 40.7 9.8 11 18 A D H X>S+ 0 0 13 -4,-1.8 6,-1.6 2,-0.2 5,-1.5 0.845 112.8 42.1 -70.5 -37.5 25.7 41.9 7.7 12 19 A L H <5S+ 0 0 52 -4,-1.7 3,-0.3 4,-0.2 -2,-0.2 0.905 115.4 50.8 -74.8 -40.2 24.2 40.7 4.5 13 20 A A H <5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.919 111.8 46.1 -63.8 -45.3 20.7 41.9 5.3 14 21 A S H <5S- 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.690 115.2-117.2 -70.5 -20.4 21.9 45.4 6.2 15 22 A G T <5S+ 0 0 53 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.564 77.0 129.6 91.6 10.1 24.0 45.4 3.1 16 23 A K S -B 285 0B 8 252,-0.3 4,-1.5 253,-0.1 3,-0.3 -0.709 40.6 -82.8-131.6-175.4 44.4 18.4 15.6 34 41 A I H > S+ 0 0 1 250,-1.9 4,-1.0 1,-0.2 251,-0.1 0.812 126.1 56.6 -62.0 -28.3 40.7 18.0 16.4 35 42 A G H >> S+ 0 0 15 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.923 106.6 49.3 -66.4 -43.1 40.6 21.6 17.9 36 43 A H H 3> S+ 0 0 33 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.804 103.9 61.1 -63.3 -30.9 41.9 22.9 14.6 37 44 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.777 98.3 56.7 -67.0 -28.5 39.2 20.9 12.9 38 45 A K H S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.7 0.935 111.1 48.3 -66.4 -48.2 38.2 24.4 9.7 41 48 A C H X5S+ 0 0 21 -4,-2.5 4,-0.7 3,-0.2 -1,-0.2 0.842 115.5 46.5 -61.8 -33.4 34.6 23.3 9.9 42 49 A L H X5S+ 0 0 8 -4,-1.0 4,-2.2 3,-0.2 5,-0.2 0.966 118.6 37.3 -72.2 -55.7 33.6 26.8 11.0 43 50 A N H X5S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -21,-0.2 0.928 126.4 34.7 -68.8 -47.4 35.6 28.8 8.5 44 51 A F H X5S+ 0 0 4 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.821 116.3 56.9 -77.1 -30.1 35.2 26.6 5.4 45 52 A G H XS+ 0 0 5 -4,-1.6 5,-2.7 -5,-0.2 -2,-0.2 0.854 113.5 38.6 -59.2 -37.5 32.2 29.8 3.2 48 55 A Q H ><5S+ 0 0 115 -4,-1.9 3,-0.6 3,-0.2 -1,-0.2 0.833 113.6 53.8 -87.2 -26.5 30.3 27.0 1.3 49 56 A D H 3<5S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.867 117.8 37.3 -70.4 -34.0 26.9 27.5 3.0 50 57 A Y T 3<5S- 0 0 56 -4,-2.3 -30,-0.2 -5,-0.2 -1,-0.2 0.280 113.2-117.0 -98.9 11.7 26.9 31.2 2.0 51 58 A K T < 5S+ 0 0 188 -3,-0.6 -3,-0.2 -5,-0.1 -4,-0.1 0.850 75.3 125.9 52.1 36.6 28.6 30.6 -1.4 52 59 A G < - 0 0 12 -5,-2.7 2,-0.3 -6,-0.3 -31,-0.2 -0.164 59.4 -93.8-100.3-159.7 31.6 32.6 -0.3 53 60 A Q E -a 21 0A 95 -33,-2.0 -31,-2.3 -2,-0.1 2,-0.4 -0.877 22.2-162.7-124.8 155.5 35.3 31.9 -0.2 54 61 A C E -a 22 0A 4 -2,-0.3 32,-2.4 -33,-0.2 2,-0.3 -0.956 13.0-149.5-140.8 121.3 37.7 30.6 2.4 55 62 A N E -a 23 0A 0 -33,-2.1 -31,-2.3 -2,-0.4 2,-0.6 -0.635 9.7-140.5 -92.3 142.0 41.5 30.9 2.2 56 63 A L E +a 24 0A 0 32,-0.3 34,-2.8 -2,-0.3 2,-0.4 -0.913 30.8 178.6 -91.8 123.8 44.1 28.6 3.6 57 64 A R E -c 90 0C 0 -33,-2.2 2,-0.7 -2,-0.6 34,-0.3 -0.966 25.2-143.7-131.2 117.2 46.8 30.9 4.9 58 65 A F E -c 91 0C 0 32,-2.6 34,-2.3 -2,-0.4 2,-2.0 -0.709 14.5-146.0 -77.8 114.3 50.0 29.6 6.6 59 66 A D + 0 0 12 -33,-1.9 2,-0.9 -2,-0.7 3,-0.2 -0.540 33.4 165.1 -82.7 77.1 50.7 32.2 9.3 60 67 A D + 0 0 0 -2,-2.0 133,-0.1 1,-0.2 -1,-0.1 -0.383 21.2 128.0 -98.9 60.3 54.5 31.8 9.0 61 68 A T + 0 0 11 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.436 65.8 57.4 -95.7 2.7 55.9 34.8 10.8 62 69 A N >> - 0 0 26 -3,-0.2 3,-1.5 1,-0.1 4,-0.8 -0.742 59.5-176.2-136.8 88.3 58.4 33.0 13.1 63 70 A P G >4 S+ 0 0 8 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.791 76.5 65.3 -52.5 -37.6 60.9 30.8 11.2 64 71 A V G 34 S+ 0 0 91 1,-0.2 127,-0.0 125,-0.1 126,-0.0 0.652 109.5 39.5 -66.9 -14.2 62.6 29.2 14.2 65 72 A K G <4 S+ 0 0 125 -3,-1.5 -1,-0.2 -35,-0.0 2,-0.2 0.595 106.9 75.2-107.3 -15.0 59.4 27.4 15.2 66 73 A E << - 0 0 14 -4,-0.8 2,-0.3 -3,-0.6 -37,-0.2 -0.606 52.0-174.7-104.5 159.9 58.1 26.4 11.7 67 74 A D >> - 0 0 79 -39,-1.8 3,-1.1 -2,-0.2 4,-0.9 -0.997 35.9-119.2-151.7 152.0 59.1 23.7 9.2 68 75 A I H 3> S+ 0 0 69 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.739 108.0 68.0 -63.3 -24.6 58.1 22.7 5.6 69 76 A E H 3> S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.875 100.2 51.1 -61.3 -36.8 57.0 19.2 6.8 70 77 A Y H <> S+ 0 0 29 -3,-1.1 4,-2.2 -42,-0.3 -1,-0.2 0.831 105.4 52.0 -74.9 -31.2 54.1 20.9 8.6 71 78 A V H X S+ 0 0 4 -4,-0.9 4,-1.8 -43,-0.2 -2,-0.2 0.917 111.2 50.0 -72.2 -33.9 52.9 23.0 5.7 72 79 A E H X S+ 0 0 124 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.906 114.5 43.9 -64.7 -41.9 52.8 19.7 3.6 73 80 A S H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.834 109.3 54.2 -75.8 -34.6 50.8 17.9 6.3 74 81 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.919 108.8 49.9 -65.4 -42.2 48.3 20.7 7.1 75 82 A K H X S+ 0 0 70 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.856 110.0 53.1 -60.6 -35.8 47.3 20.9 3.4 76 83 A N H X S+ 0 0 87 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.908 111.3 43.7 -65.4 -45.4 46.9 17.1 3.5 77 84 A D H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.860 108.7 55.9 -74.0 -35.9 44.5 17.2 6.5 78 85 A V H <>S+ 0 0 0 -4,-2.2 5,-1.4 1,-0.2 4,-0.4 0.919 113.4 42.9 -60.9 -44.1 42.4 20.2 5.4 79 86 A E H ><5S+ 0 0 106 -4,-1.5 3,-1.1 -5,-0.2 -2,-0.2 0.873 108.8 58.2 -65.9 -40.3 41.6 18.3 2.1 80 87 A W H 3<5S+ 0 0 72 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.854 100.3 57.2 -60.2 -37.3 41.1 15.0 3.9 81 88 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.699 125.9-104.4 -66.4 -19.3 38.3 16.6 6.0 82 89 A G T < 5S+ 0 0 34 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.769 76.6 128.9 102.1 33.2 36.6 17.4 2.7 83 90 A F < - 0 0 8 -5,-1.4 2,-0.4 -4,-0.0 -1,-0.3 -0.920 39.3-157.3-124.2 146.2 37.3 21.1 2.4 84 91 A H - 0 0 136 -2,-0.4 -30,-0.2 -40,-0.1 2,-0.2 -0.964 13.7-135.2-123.8 137.8 38.8 23.2 -0.4 85 92 A W - 0 0 56 -2,-0.4 2,-0.5 2,-0.1 -30,-0.2 -0.511 28.2 -97.4 -90.4 162.2 40.5 26.6 -0.2 86 93 A S S S- 0 0 15 -32,-2.4 -30,-0.3 -2,-0.2 -1,-0.1 -0.635 79.2 -39.5 -84.1 118.9 40.0 29.7 -2.3 87 94 A G S S- 0 0 53 -2,-0.5 -2,-0.1 -32,-0.1 -31,-0.1 -0.277 111.8 -10.0 65.2-150.0 42.6 30.1 -5.1 88 95 A N S S- 0 0 136 1,-0.1 -32,-0.3 -33,-0.0 2,-0.2 -0.296 85.4 -85.7 -76.3 162.1 46.2 29.2 -4.2 89 96 A V - 0 0 24 -34,-0.1 2,-0.2 -4,-0.1 -32,-0.2 -0.498 51.6-144.5 -61.9 132.3 47.6 28.5 -0.8 90 97 A R E -c 57 0C 56 -34,-2.8 -32,-2.6 -2,-0.2 2,-0.3 -0.682 14.0-164.1-102.6 160.5 48.5 31.8 0.8 91 98 A Y E > -c 58 0C 29 -34,-0.3 3,-1.2 -2,-0.2 4,-0.3 -0.995 28.4-133.8-139.6 144.7 51.3 32.6 3.2 92 99 A S G > S+ 0 0 0 -34,-2.3 3,-1.7 -2,-0.3 -33,-0.1 0.847 109.9 64.6 -64.7 -29.2 51.9 35.6 5.5 93 100 A S G > S+ 0 0 8 -35,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.646 86.3 69.4 -68.0 -15.2 55.4 35.6 4.0 94 101 A D G < S+ 0 0 87 -3,-1.2 -1,-0.3 1,-0.2 3,-0.2 0.722 102.6 47.2 -69.5 -20.1 53.9 36.5 0.6 95 102 A Y G <> S+ 0 0 27 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.2 0.184 77.0 109.3-105.9 15.4 53.2 39.8 2.2 96 103 A F H <> S+ 0 0 2 -3,-1.1 4,-1.6 1,-0.2 -1,-0.1 0.864 82.3 46.0 -63.7 -36.0 56.6 40.5 3.8 97 104 A D H > S+ 0 0 94 -4,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.813 115.1 49.6 -71.4 -28.7 57.5 43.3 1.3 98 105 A Q H > S+ 0 0 94 2,-0.2 4,-1.7 -3,-0.2 -2,-0.2 0.855 109.7 49.5 -73.8 -42.5 54.0 44.7 1.9 99 106 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.824 109.0 52.8 -68.4 -35.7 54.3 44.6 5.7 100 107 A H H X S+ 0 0 28 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.871 108.5 51.2 -65.9 -39.4 57.7 46.3 5.5 101 108 A A H X S+ 0 0 51 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.872 109.9 48.9 -65.8 -38.1 56.1 49.1 3.5 102 109 A Y H X S+ 0 0 32 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.783 107.1 55.9 -73.6 -26.2 53.3 49.6 6.0 103 110 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.923 106.8 49.8 -68.0 -42.6 55.9 49.7 8.8 104 111 A I H X S+ 0 0 56 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.846 107.2 55.5 -64.4 -32.5 57.6 52.6 7.0 105 112 A E H X S+ 0 0 35 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.880 107.6 48.6 -65.9 -38.9 54.2 54.3 6.7 106 113 A L H <>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 6,-0.5 0.900 111.3 50.3 -66.9 -38.9 53.8 54.0 10.5 107 114 A I H ><5S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 5,-0.2 0.922 107.7 52.8 -65.9 -43.6 57.3 55.5 11.0 108 115 A N H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 110.7 48.6 -64.1 -24.0 56.6 58.4 8.7 109 116 A K T 3<5S- 0 0 104 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.466 114.9-117.9 -91.0 -3.6 53.5 59.2 10.7 110 117 A G T < 5S+ 0 0 22 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.578 84.3 117.3 77.3 10.6 55.5 59.0 14.0 111 118 A L S - 0 0 50 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.149 32.5 -95.7 -63.4 165.8 67.0 44.9 25.8 119 126 A P H > S+ 0 0 77 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.774 127.7 44.0 -57.8 -25.3 64.6 41.9 25.9 120 127 A E H > S+ 0 0 108 2,-0.1 4,-1.6 1,-0.1 3,-0.1 0.822 110.7 54.6 -85.6 -32.5 64.5 42.0 29.7 121 128 A Q H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.842 99.6 59.3 -69.7 -35.6 64.2 45.8 29.9 122 129 A I H X S+ 0 0 18 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.876 107.6 48.3 -61.2 -33.6 61.1 46.0 27.6 123 130 A R H >< S+ 0 0 145 -4,-0.5 3,-0.5 -5,-0.2 4,-0.4 0.924 110.0 51.5 -71.3 -42.0 59.3 43.7 30.2 124 131 A E H >< S+ 0 0 123 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.885 113.9 44.0 -58.7 -43.5 60.5 46.0 33.1 125 132 A Y H 3< S+ 0 0 51 -4,-2.4 9,-2.6 1,-0.2 -1,-0.2 0.633 96.7 77.2 -78.5 -13.3 59.1 49.1 31.3 126 133 A R T << S- 0 0 79 -4,-0.9 7,-0.4 -3,-0.5 -1,-0.2 0.659 90.4-139.9 -75.5 -10.4 55.8 47.4 30.3 127 134 A G < - 0 0 24 -3,-0.7 -1,-0.2 -4,-0.4 2,-0.2 -0.409 20.9 -89.3 79.4-167.2 54.2 47.7 33.7 128 135 A T - 0 0 63 3,-2.0 5,-0.1 -2,-0.1 -4,-0.0 -0.578 44.6 -80.6-127.1-167.4 52.1 44.9 35.2 129 136 A L S S+ 0 0 157 -2,-0.2 47,-0.0 1,-0.2 -2,-0.0 0.797 132.7 28.2 -70.3 -23.0 48.4 44.0 35.2 130 137 A T S S+ 0 0 136 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.671 116.8 61.7-109.7 -22.2 47.8 46.6 38.0 131 138 A Q S S- 0 0 127 43,-0.0 -3,-2.0 1,-0.0 -1,-0.1 -0.875 80.3-122.9-108.2 140.5 50.5 49.2 37.3 132 139 A P - 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