==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 20-FEB-03 1O0C . COMPND 2 MOLECULE: GLUTAMINYL TRNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.L.BULLOCK,J.J.PERONA . 530 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 13.8 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 . 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 22.1 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 2 0 1 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 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 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 0 139 0, 0.0 2,-0.3 0, 0.0 307,-0.2 0.000 360.0 360.0 360.0 163.7 22.3 28.9 13.9 2 9 A N > - 0 0 25 305,-0.1 4,-1.9 1,-0.0 5,-0.2 -0.937 360.0 -81.4-158.5 174.9 24.6 30.5 16.4 3 10 A F H > S+ 0 0 58 305,-0.5 4,-1.5 -2,-0.3 5,-0.1 0.860 125.8 51.6 -57.2 -34.7 25.6 34.0 17.5 4 11 A I H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.945 109.2 47.2 -69.9 -45.4 28.0 34.4 14.6 5 12 A R H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.804 110.0 55.5 -66.2 -25.7 25.5 33.4 11.9 6 13 A Q H X S+ 0 0 96 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.862 107.5 48.6 -73.4 -34.5 22.9 35.8 13.5 7 14 A I H X S+ 0 0 32 -4,-1.5 4,-2.1 -3,-0.2 -2,-0.2 0.908 109.5 53.5 -69.1 -41.8 25.4 38.7 13.2 8 15 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.935 107.2 50.8 -59.5 -44.7 26.0 37.7 9.6 9 16 A D H X S+ 0 0 74 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.881 108.3 52.0 -60.4 -42.2 22.3 37.9 8.8 10 17 A E H X S+ 0 0 122 -4,-1.7 4,-2.2 1,-0.2 6,-0.2 0.897 110.0 49.6 -62.8 -38.3 22.1 41.3 10.4 11 18 A D H X>S+ 0 0 17 -4,-2.1 5,-1.6 2,-0.2 4,-1.4 0.900 111.5 48.0 -66.3 -43.3 24.9 42.5 8.2 12 19 A L H ><5S+ 0 0 54 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.981 112.2 48.9 -60.2 -55.9 23.4 41.1 5.0 13 20 A A H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.911 111.3 48.3 -50.5 -54.9 20.0 42.6 5.8 14 21 A S H 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.783 112.2-118.4 -59.8 -28.7 21.3 46.1 6.5 15 22 A G T <<5S+ 0 0 51 -4,-1.4 -3,-0.2 -3,-0.7 -2,-0.1 0.592 77.8 127.3 97.0 12.3 23.4 46.1 3.4 16 23 A K S > -B 285 0B 6 252,-0.3 3,-1.7 -2,-0.2 4,-1.1 -0.781 40.3 -89.3-126.5 169.8 43.5 18.6 16.0 34 41 A I H 3> S+ 0 0 1 250,-2.5 4,-0.7 1,-0.3 251,-0.1 0.784 124.8 61.5 -49.7 -30.8 39.8 18.1 16.6 35 42 A G H >> S+ 0 0 14 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.902 102.5 50.4 -63.9 -37.4 39.7 21.7 18.0 36 43 A H H <> S+ 0 0 29 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.784 102.1 61.6 -70.3 -28.5 40.8 22.9 14.6 37 44 A A H 3X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.698 99.1 56.0 -70.8 -20.2 38.0 20.9 13.0 38 45 A K H S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.6 0.905 111.4 46.1 -65.7 -47.3 37.2 24.5 9.9 41 48 A C H X5S+ 0 0 23 -4,-1.7 4,-2.3 3,-0.2 5,-0.3 0.964 114.3 49.2 -61.4 -48.3 33.5 23.6 10.0 42 49 A L H X5S+ 0 0 9 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.954 120.0 34.7 -54.7 -58.4 32.6 27.1 11.3 43 50 A N H X5S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -21,-0.2 0.932 126.0 36.3 -67.0 -51.6 34.6 29.0 8.7 44 51 A F H X5S+ 0 0 7 -4,-2.6 4,-2.2 -5,-0.2 -3,-0.2 0.883 116.8 55.3 -72.0 -34.7 34.2 26.8 5.6 45 52 A G H XS+ 0 0 5 -4,-1.6 5,-3.3 -5,-0.2 -2,-0.2 0.942 113.4 41.1 -54.7 -50.1 31.1 30.3 3.4 48 55 A Q H ><5S+ 0 0 115 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.935 114.1 49.7 -68.0 -45.9 29.2 27.5 1.7 49 56 A D H 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.947 117.3 42.7 -57.4 -45.4 25.8 28.0 3.3 50 57 A Y T 3<5S- 0 0 51 -4,-2.8 -30,-0.3 -5,-0.2 -1,-0.3 0.192 114.1-113.4 -87.7 16.6 26.0 31.7 2.5 51 58 A K T < 5S+ 0 0 171 -3,-1.6 -3,-0.2 1,-0.1 2,-0.1 0.945 76.9 121.0 51.1 55.6 27.3 31.3 -1.0 52 59 A G < - 0 0 17 -5,-3.3 2,-0.3 -6,-0.1 -31,-0.2 -0.406 60.6 -92.8-126.8-158.1 30.6 32.9 -0.2 53 60 A Q E -a 21 0A 101 -33,-1.5 -31,-2.0 -2,-0.1 2,-0.4 -0.955 22.0-166.8-129.0 149.6 34.4 32.2 -0.1 54 61 A C E -a 22 0A 5 -2,-0.3 32,-2.5 30,-0.2 -31,-0.3 -0.986 12.9-152.0-138.6 121.9 36.8 30.8 2.5 55 62 A N E -a 23 0A 0 -33,-1.7 -31,-2.4 -2,-0.4 2,-0.6 -0.548 11.7-135.9 -93.1 160.9 40.6 31.0 2.2 56 63 A L E +a 24 0A 0 32,-0.4 34,-3.1 30,-0.3 2,-0.4 -0.976 32.2 178.3-114.3 112.0 43.2 28.7 3.7 57 64 A R E -c 90 0C 0 -33,-2.3 2,-0.6 -2,-0.6 34,-0.2 -0.978 24.2-146.6-123.0 130.5 46.0 30.9 5.1 58 65 A F E -c 91 0C 0 32,-2.0 34,-2.4 -2,-0.4 2,-1.8 -0.866 14.2-144.7 -93.7 117.7 49.1 29.8 6.9 59 66 A D + 0 0 5 -33,-1.9 2,-1.1 -2,-0.6 3,-0.3 -0.571 32.6 167.2 -82.7 75.0 50.0 32.4 9.5 60 67 A D + 0 0 0 -2,-1.8 133,-0.1 1,-0.2 -1,-0.1 -0.445 24.3 125.1 -94.9 68.2 53.8 32.0 9.1 61 68 A T + 0 0 11 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.0 0.461 63.1 61.8-102.4 -1.4 55.3 34.9 10.9 62 69 A N > - 0 0 33 -3,-0.3 3,-2.1 1,-0.2 4,-0.5 -0.727 60.5-173.9-129.1 82.5 57.7 33.1 13.3 63 70 A P G > S+ 0 0 7 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.842 78.3 62.3 -40.3 -50.5 60.3 31.1 11.3 64 71 A V G 3 S+ 0 0 72 1,-0.3 126,-0.0 125,-0.1 127,-0.0 0.569 107.0 44.3 -59.9 -11.5 61.9 29.3 14.3 65 72 A K G < S+ 0 0 121 -3,-2.1 2,-0.3 -35,-0.0 -1,-0.3 0.451 102.2 79.1-112.5 -1.3 58.7 27.5 15.2 66 73 A E < - 0 0 17 -3,-1.8 2,-0.3 -4,-0.5 -37,-0.2 -0.764 48.2-173.7-117.9 157.8 57.5 26.3 11.8 67 74 A D >> - 0 0 77 -39,-1.5 3,-1.3 -2,-0.3 4,-1.0 -0.992 34.2-125.2-144.3 149.9 58.2 23.6 9.3 68 75 A I H 3> S+ 0 0 68 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.725 107.6 69.7 -65.0 -23.0 57.2 22.7 5.7 69 76 A E H 3> S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.810 98.6 51.9 -62.5 -32.3 56.1 19.3 7.0 70 77 A Y H <> S+ 0 0 34 -3,-1.3 4,-2.5 -42,-0.2 5,-0.2 0.915 103.9 52.9 -72.6 -45.4 53.3 21.0 8.8 71 78 A V H X S+ 0 0 2 -4,-1.0 4,-2.3 1,-0.2 5,-0.3 0.960 110.1 50.2 -58.6 -44.3 51.9 23.0 5.8 72 79 A E H X S+ 0 0 118 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.885 112.8 45.1 -60.1 -44.4 51.6 19.8 3.8 73 80 A S H X S+ 0 0 10 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.850 109.9 54.8 -70.1 -34.5 49.7 17.9 6.5 74 81 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.955 109.4 46.2 -64.7 -46.2 47.4 20.8 7.2 75 82 A K H X S+ 0 0 52 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.877 112.2 54.6 -61.5 -36.9 46.3 21.0 3.6 76 83 A N H X S+ 0 0 81 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.948 110.8 42.5 -62.6 -49.3 45.9 17.2 3.7 77 84 A D H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.873 109.9 55.7 -69.1 -37.4 43.6 17.2 6.7 78 85 A V H X>S+ 0 0 0 -4,-2.5 5,-1.5 2,-0.2 4,-0.6 0.947 113.1 43.8 -58.8 -46.5 41.5 20.1 5.6 79 86 A E H ><5S+ 0 0 106 -4,-1.9 3,-1.6 -5,-0.2 -2,-0.2 0.936 110.1 54.4 -63.9 -48.0 40.8 18.2 2.3 80 87 A W H 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 102.5 58.3 -54.8 -38.3 40.2 14.9 4.1 81 88 A L H 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.722 124.4-104.9 -64.1 -23.1 37.5 16.6 6.3 82 89 A G T <<5S+ 0 0 42 -3,-1.6 2,-0.3 -4,-0.6 -3,-0.2 0.660 74.5 124.1 107.5 26.2 35.7 17.5 3.0 83 90 A F < - 0 0 12 -5,-1.5 2,-0.4 -4,-0.0 -1,-0.3 -0.849 41.5-151.5-123.3 152.4 36.3 21.2 2.4 84 91 A H - 0 0 156 -2,-0.3 -30,-0.2 -40,-0.1 2,-0.2 -0.956 14.1-138.5-122.9 135.6 37.7 23.4 -0.4 85 92 A W - 0 0 58 -2,-0.4 2,-0.6 2,-0.1 -30,-0.2 -0.502 27.5 -99.7 -91.5 160.9 39.4 26.7 -0.1 86 93 A S S S- 0 0 18 -32,-2.5 -30,-0.3 -2,-0.2 2,-0.1 -0.666 78.8 -38.5 -82.7 114.5 39.0 29.8 -2.3 87 94 A G S S- 0 0 56 -2,-0.6 -2,-0.1 -32,-0.1 3,-0.1 -0.388 111.0 -8.8 71.7-150.8 41.8 30.2 -4.9 88 95 A N S S- 0 0 136 1,-0.1 -32,-0.4 -2,-0.1 2,-0.3 -0.280 83.2 -91.1 -74.3 168.1 45.4 29.4 -4.0 89 96 A V - 0 0 25 -34,-0.1 2,-0.2 -4,-0.1 -32,-0.2 -0.609 50.2-142.6 -76.0 138.5 46.6 28.6 -0.5 90 97 A R E -c 57 0C 58 -34,-3.1 -32,-2.0 -2,-0.3 2,-0.3 -0.696 14.4-162.5-105.6 162.7 47.7 31.9 1.0 91 98 A Y E > -c 58 0C 28 -2,-0.2 3,-1.4 -34,-0.2 4,-0.3 -0.988 27.4-132.2-140.2 142.8 50.6 32.6 3.3 92 99 A S G > S+ 0 0 0 -34,-2.4 3,-2.8 -2,-0.3 4,-0.2 0.893 109.0 67.3 -61.2 -34.8 51.2 35.6 5.6 93 100 A S G > S+ 0 0 7 -35,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.712 83.4 71.6 -58.4 -20.4 54.7 35.6 4.0 94 101 A D G < S+ 0 0 88 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.711 100.5 47.5 -67.7 -18.4 53.1 36.6 0.7 95 102 A Y G X> S+ 0 0 26 -3,-2.8 4,-3.1 -4,-0.3 3,-0.7 0.337 75.8 111.7-103.6 6.6 52.5 40.0 2.3 96 103 A F H <> S+ 0 0 4 -3,-1.4 4,-1.5 1,-0.3 -1,-0.2 0.792 81.9 45.9 -50.9 -34.7 56.0 40.5 3.8 97 104 A D H 3> S+ 0 0 98 -3,-0.2 4,-1.2 -4,-0.2 -1,-0.3 0.820 114.8 47.7 -76.7 -33.6 56.8 43.3 1.3 98 105 A Q H <> S+ 0 0 96 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.906 109.5 51.9 -71.6 -48.0 53.4 45.0 2.0 99 106 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.930 109.8 50.8 -55.9 -44.2 53.7 44.7 5.8 100 107 A H H X S+ 0 0 30 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.833 109.7 50.2 -62.8 -35.2 57.1 46.4 5.5 101 108 A A H X S+ 0 0 50 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.913 110.7 49.5 -69.6 -43.0 55.7 49.2 3.4 102 109 A Y H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.840 105.2 55.6 -64.8 -38.2 52.8 49.7 5.9 103 110 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.894 105.9 54.1 -62.4 -35.7 55.2 49.9 8.9 104 111 A I H X S+ 0 0 52 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.812 104.0 55.1 -67.1 -29.5 57.0 52.7 7.0 105 112 A E H X S+ 0 0 40 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.913 108.3 48.6 -68.8 -41.8 53.6 54.5 6.8 106 113 A L H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 4,-0.5 0.928 111.9 48.6 -62.7 -46.5 53.3 54.2 10.6 107 114 A I H ><5S+ 0 0 0 -4,-2.5 3,-2.3 4,-0.2 5,-0.3 0.974 112.2 47.7 -57.3 -54.2 56.9 55.6 11.1 108 115 A N H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 112.0 52.0 -56.6 -31.3 56.3 58.5 8.6 109 116 A K T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.509 117.5-115.0 -84.5 -4.7 53.0 59.1 10.5 110 117 A G T < 5S+ 0 0 25 -3,-2.3 -3,-0.2 -4,-0.5 -2,-0.1 0.533 87.0 112.2 81.6 11.2 54.8 59.2 13.9 111 118 A L S - 0 0 43 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.123 29.1 -97.7 -63.7 170.2 66.6 45.0 25.8 119 126 A P H > S+ 0 0 71 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.798 128.8 48.8 -61.7 -24.2 64.1 42.1 25.9 120 127 A E H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.1 3,-0.3 0.930 109.6 49.6 -79.8 -44.4 64.4 42.4 29.7 121 128 A Q H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.860 102.1 61.3 -61.9 -40.2 63.9 46.1 29.9 122 129 A I H X S+ 0 0 21 -4,-2.4 4,-1.4 1,-0.2 3,-0.2 0.909 106.7 46.2 -56.3 -40.8 60.8 46.2 27.7 123 130 A R H >< S+ 0 0 148 -4,-0.8 3,-0.5 -3,-0.3 4,-0.5 0.957 111.5 52.1 -66.7 -45.4 59.0 44.0 30.3 124 131 A E H 3< S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.699 113.5 43.9 -61.8 -26.3 60.3 46.1 33.2 125 132 A Y H 3< S+ 0 0 54 -4,-1.7 9,-2.8 -3,-0.2 -1,-0.3 0.686 95.9 82.7 -90.7 -18.2 59.0 49.3 31.5 126 133 A R S << S- 0 0 86 -4,-1.4 7,-0.2 -3,-0.5 2,-0.2 0.658 86.2-139.4 -61.2 -23.6 55.7 47.6 30.5 127 134 A G - 0 0 26 -4,-0.5 2,-0.3 -3,-0.2 6,-0.2 -0.544 21.5 -92.6 91.7-164.1 53.9 48.1 33.9 128 135 A T - 0 0 58 3,-3.5 3,-0.2 -2,-0.2 5,-0.0 -0.803 43.1 -80.3-138.2-176.1 51.7 45.4 35.4 129 136 A L S S+ 0 0 154 -2,-0.3 47,-0.0 1,-0.2 -2,-0.0 0.762 133.1 21.0 -61.8 -24.4 48.0 44.4 35.4 130 137 A T S S+ 0 0 139 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.414 117.7 67.2-124.7 1.4 47.4 47.1 38.0 131 138 A Q S S- 0 0 125 -3,-0.2 -3,-3.5 1,-0.0 -1,-0.1 -0.986 82.3-121.1-125.1 126.2 50.4 49.5 37.6 132 139 A P - 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