==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 14-JUN-96 1QRU . COMPND 2 MOLECULE: TRNAGLN2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.ARNEZ,T.A.STEITZ . 529 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 65.8 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 . 69 13.0 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 . 35 6.6 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 . 116 21.9 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 2 2 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 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 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 0 139 0, 0.0 2,-0.2 0, 0.0 307,-0.1 0.000 360.0 360.0 360.0 150.3 22.6 28.0 13.8 2 9 A N > - 0 0 27 305,-0.1 4,-1.5 307,-0.0 3,-0.3 -0.769 360.0 -85.8-136.1-179.7 25.0 29.6 16.2 3 10 A F H > S+ 0 0 55 305,-0.7 4,-1.6 -2,-0.2 5,-0.1 0.832 123.7 56.0 -63.0 -33.2 25.9 33.2 17.2 4 11 A I H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 107.7 48.6 -68.7 -33.5 28.4 33.6 14.4 5 12 A R H > S+ 0 0 54 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.786 105.8 56.0 -77.5 -24.8 25.8 32.7 11.7 6 13 A Q H X S+ 0 0 96 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.924 108.7 49.4 -73.2 -33.6 23.2 35.1 13.1 7 14 A I H X S+ 0 0 32 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.938 111.8 47.6 -66.7 -45.5 25.9 37.8 12.7 8 15 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.933 110.1 52.6 -63.1 -41.6 26.5 36.7 9.2 9 16 A D H X S+ 0 0 70 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.943 110.3 47.8 -60.2 -46.4 22.8 36.6 8.4 10 17 A E H X S+ 0 0 124 -4,-2.5 4,-3.2 1,-0.2 6,-0.3 0.946 109.9 54.0 -58.8 -45.6 22.4 40.2 9.7 11 18 A D H <>S+ 0 0 15 -4,-2.8 5,-2.0 1,-0.2 6,-1.6 0.897 111.3 44.1 -57.2 -44.0 25.4 41.3 7.6 12 19 A L H ><5S+ 0 0 54 -4,-2.6 3,-0.9 4,-0.2 -1,-0.2 0.957 117.5 45.3 -64.2 -50.2 23.9 39.9 4.4 13 20 A A H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.938 109.8 51.9 -58.5 -56.1 20.5 41.3 5.2 14 21 A S T 3<5S- 0 0 87 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.587 114.0-118.5 -59.6 -11.9 21.6 44.8 6.3 15 22 A G T < 5S+ 0 0 52 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.722 76.9 132.2 78.8 18.5 23.5 44.9 3.0 16 23 A K S > -B 285 0B 7 252,-0.3 4,-1.9 253,-0.1 3,-0.8 -0.867 36.2 -89.2-133.0 169.7 44.3 18.2 15.6 34 41 A I H 3> S+ 0 0 2 250,-2.9 4,-0.9 -2,-0.3 251,-0.1 0.814 126.2 58.0 -47.5 -31.0 40.6 17.5 16.4 35 42 A G H >> S+ 0 0 13 1,-0.2 3,-1.8 249,-0.2 4,-1.0 0.978 104.6 49.8 -64.8 -48.8 40.5 21.0 17.9 36 43 A H H X> S+ 0 0 33 -3,-0.8 4,-2.8 1,-0.3 3,-0.5 0.876 100.8 65.6 -57.0 -34.2 41.6 22.4 14.5 37 44 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.3 -1,-0.3 0.792 95.9 56.2 -59.6 -29.2 38.9 20.4 12.9 38 45 A K H S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.6 0.939 110.1 47.5 -58.8 -50.7 38.0 24.0 9.8 41 48 A C H X5S+ 0 0 20 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.859 115.1 48.1 -61.4 -33.0 34.4 22.9 9.8 42 49 A L H X5S+ 0 0 11 -4,-1.5 4,-2.0 3,-0.2 -2,-0.2 0.968 118.1 37.3 -71.7 -54.2 33.3 26.4 10.9 43 50 A N H X5S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 -21,-0.2 0.942 125.6 36.5 -66.7 -50.1 35.3 28.4 8.4 44 51 A F H X5S+ 0 0 4 -4,-2.7 4,-2.1 -5,-0.3 5,-0.2 0.857 115.5 57.0 -74.3 -30.5 35.0 26.1 5.4 45 52 A G H XS+ 0 0 6 -4,-1.3 5,-2.3 1,-0.2 4,-0.4 0.983 112.4 37.7 -57.8 -61.2 31.7 29.4 3.0 48 55 A Q H ><5S+ 0 0 119 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.856 115.8 55.0 -63.6 -30.4 30.0 26.6 1.2 49 56 A D H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.929 117.9 33.7 -67.7 -42.0 26.8 27.2 3.0 50 57 A Y T 3<5S- 0 0 48 -4,-2.9 -30,-0.3 -5,-0.2 -1,-0.2 0.269 114.5-113.4 -95.0 14.5 26.6 30.8 2.0 51 58 A K T < 5S+ 0 0 189 -3,-0.8 -3,-0.2 -4,-0.4 2,-0.2 0.988 75.6 129.2 49.8 64.5 28.2 30.1 -1.4 52 59 A G < - 0 0 13 -5,-2.3 2,-0.3 -33,-0.1 -31,-0.2 -0.650 57.8 -92.4-131.7-169.3 31.3 32.1 -0.3 53 60 A Q E -a 21 0A 93 -33,-1.6 -31,-2.0 -2,-0.2 2,-0.4 -0.842 24.1-170.2-113.5 155.5 35.1 31.6 -0.3 54 61 A C E -a 22 0A 4 -2,-0.3 32,-2.5 -33,-0.2 -31,-0.3 -0.970 14.8-148.6-143.1 117.8 37.4 30.4 2.4 55 62 A N E -a 23 0A 0 -33,-1.9 -31,-2.4 -2,-0.4 2,-0.6 -0.579 9.8-138.6 -87.7 153.1 41.2 30.7 2.0 56 63 A L E +a 24 0A 0 32,-0.4 34,-2.4 30,-0.3 2,-0.5 -0.968 32.7 179.6-105.5 118.1 43.8 28.3 3.4 57 64 A R E -c 90 0C 0 -33,-2.3 2,-0.9 -2,-0.6 34,-0.2 -0.971 25.1-143.6-126.7 120.8 46.5 30.6 4.7 58 65 A F E -c 91 0C 0 32,-3.0 2,-2.2 -2,-0.5 34,-2.1 -0.692 12.7-146.6 -82.6 109.2 49.6 29.4 6.4 59 66 A D + 0 0 12 -33,-1.2 2,-1.0 -2,-0.9 3,-0.3 -0.497 32.1 166.9 -73.2 81.5 50.4 31.9 9.1 60 67 A D + 0 0 0 -2,-2.2 -1,-0.1 1,-0.2 133,-0.1 -0.463 24.3 125.5-100.5 65.7 54.2 31.5 8.8 61 68 A T + 0 0 11 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.0 0.642 63.3 59.6 -95.1 -15.6 55.5 34.4 10.7 62 69 A N >> - 0 0 28 -3,-0.3 3,-1.5 1,-0.1 4,-0.7 -0.804 60.0-176.5-119.5 91.3 57.9 32.5 13.1 63 70 A P T 34 S+ 0 0 10 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.711 75.4 66.6 -57.1 -25.6 60.5 30.6 11.1 64 71 A V T 34 S+ 0 0 83 1,-0.2 127,-0.0 125,-0.1 126,-0.0 0.391 108.7 37.2 -82.0 4.8 62.2 28.9 14.1 65 72 A K T <4 S+ 0 0 121 -3,-1.5 2,-0.2 -35,-0.0 -1,-0.2 0.496 102.1 79.8-130.1 -9.0 59.1 26.9 14.9 66 73 A E < - 0 0 17 -4,-0.7 2,-0.3 -3,-0.2 -37,-0.2 -0.646 51.1-170.7-104.3 157.5 57.7 25.9 11.5 67 74 A D >> - 0 0 65 -39,-1.9 3,-1.4 -2,-0.2 4,-1.0 -0.998 34.1-122.5-146.9 145.3 58.7 23.2 9.0 68 75 A I H 3> S+ 0 0 75 -2,-0.3 4,-1.6 1,-0.3 5,-0.2 0.790 106.7 71.3 -56.2 -28.5 57.7 22.4 5.5 69 76 A E H 3> S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.899 98.8 49.7 -55.0 -39.0 56.7 18.9 6.6 70 77 A Y H <> S+ 0 0 28 -3,-1.4 4,-3.0 -42,-0.3 5,-0.2 0.868 102.4 57.4 -69.8 -38.8 53.7 20.5 8.3 71 78 A V H X S+ 0 0 1 -4,-1.0 4,-1.9 -43,-0.2 -1,-0.2 0.911 111.6 44.7 -62.5 -36.4 52.5 22.6 5.4 72 79 A E H X S+ 0 0 100 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.891 115.4 45.9 -73.3 -39.9 52.2 19.4 3.3 73 80 A S H X S+ 0 0 16 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.881 111.8 53.2 -70.1 -36.7 50.5 17.4 6.1 74 81 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.930 108.4 47.7 -64.6 -46.0 48.1 20.3 6.8 75 82 A K H X S+ 0 0 49 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.893 111.9 55.5 -61.0 -35.7 47.0 20.6 3.2 76 83 A N H X S+ 0 0 92 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.961 108.4 43.0 -61.8 -55.9 46.5 16.8 3.4 77 84 A D H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.832 108.4 59.5 -64.1 -33.7 44.2 16.7 6.4 78 85 A V H <>S+ 0 0 0 -4,-2.1 5,-1.3 -5,-0.2 3,-0.3 0.961 111.1 41.0 -61.5 -44.7 42.1 19.6 5.2 79 86 A E H ><5S+ 0 0 90 -4,-1.8 3,-2.7 1,-0.2 -2,-0.2 0.922 108.4 60.2 -67.4 -44.9 41.2 17.8 2.0 80 87 A W H 3<5S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 99.7 56.6 -52.1 -35.9 40.7 14.5 3.8 81 88 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.574 125.9-106.1 -73.0 -10.3 38.0 16.1 5.9 82 89 A G T < 5S+ 0 0 39 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.814 77.4 123.6 91.4 37.6 36.4 16.9 2.6 83 90 A F < - 0 0 11 -5,-1.3 2,-0.4 -4,-0.1 -1,-0.3 -0.942 39.5-160.0-129.6 146.7 36.9 20.6 2.2 84 91 A H - 0 0 132 -2,-0.3 -30,-0.1 -40,-0.1 2,-0.1 -0.983 16.6-130.1-128.9 139.4 38.6 22.7 -0.5 85 92 A W - 0 0 45 -2,-0.4 2,-0.5 2,-0.1 -30,-0.2 -0.283 30.0 -93.7 -81.4 172.7 39.9 26.1 -0.2 86 93 A S S S- 0 0 16 -32,-2.5 -30,-0.3 2,-0.1 -1,-0.1 -0.729 79.8 -41.1 -89.9 126.7 39.4 29.1 -2.4 87 94 A G S S- 0 0 54 -2,-0.5 -2,-0.1 -32,-0.1 2,-0.1 -0.192 110.3 -4.6 58.9-144.0 41.9 29.5 -5.1 88 95 A N S S- 0 0 134 1,-0.1 -32,-0.4 -33,-0.0 2,-0.1 -0.407 78.9 -94.7 -84.1 162.8 45.5 29.0 -4.3 89 96 A V - 0 0 26 -2,-0.1 2,-0.3 -34,-0.1 -32,-0.2 -0.491 47.7-151.3 -71.2 142.5 47.1 28.2 -0.9 90 97 A R E -c 57 0C 61 -34,-2.4 -32,-3.0 -2,-0.1 2,-0.3 -0.846 12.0-160.7-117.5 163.4 48.3 31.4 0.7 91 98 A Y E > -c 58 0C 29 -2,-0.3 3,-0.9 -34,-0.2 4,-0.4 -0.988 26.9-133.7-139.8 147.2 51.1 32.3 3.1 92 99 A S G > S+ 0 0 0 -34,-2.1 3,-3.1 -2,-0.3 -1,-0.1 0.910 112.3 64.0 -66.6 -37.0 51.6 35.3 5.4 93 100 A S G > S+ 0 0 8 -35,-0.4 3,-1.8 1,-0.3 4,-0.3 0.784 86.7 71.9 -55.5 -23.5 55.1 35.2 4.0 94 101 A D G < S+ 0 0 85 -3,-0.9 -1,-0.3 1,-0.3 3,-0.3 0.840 100.8 46.2 -60.1 -27.6 53.4 36.0 0.7 95 102 A Y G <> S+ 0 0 26 -3,-3.1 4,-3.1 -4,-0.4 -1,-0.3 0.217 76.0 112.9-101.4 18.4 52.8 39.4 2.3 96 103 A F H <> S+ 0 0 3 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.905 81.3 44.2 -57.8 -43.8 56.3 40.1 3.6 97 104 A D H > S+ 0 0 89 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.866 116.3 48.6 -69.5 -31.6 57.1 43.0 1.3 98 105 A Q H > S+ 0 0 91 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.888 110.4 50.3 -70.1 -48.6 53.6 44.4 1.9 99 106 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 3,-0.3 0.969 110.6 49.2 -56.8 -52.1 53.9 44.1 5.6 100 107 A H H X S+ 0 0 31 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.884 109.1 53.7 -55.8 -37.8 57.3 45.9 5.5 101 108 A A H X S+ 0 0 51 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.900 109.8 47.7 -65.1 -38.7 55.8 48.6 3.4 102 109 A Y H X S+ 0 0 34 -4,-2.1 4,-2.1 -3,-0.3 -1,-0.2 0.742 104.5 58.8 -73.1 -28.1 53.0 49.1 5.9 103 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.929 105.8 51.9 -65.4 -39.3 55.5 49.2 8.8 104 111 A I H X S+ 0 0 54 -4,-1.9 4,-3.6 2,-0.2 -2,-0.2 0.907 105.9 52.2 -63.8 -41.6 57.1 52.1 7.0 105 112 A E H X S+ 0 0 34 -4,-1.5 4,-1.7 2,-0.2 6,-0.2 0.956 110.0 50.1 -58.8 -46.4 53.8 54.0 6.7 106 113 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.6 0.945 113.0 46.2 -55.6 -47.0 53.4 53.5 10.4 107 114 A I H ><5S+ 0 0 0 -4,-2.7 3,-2.8 1,-0.2 5,-0.3 0.958 108.2 55.7 -61.8 -48.6 56.9 54.9 10.9 108 115 A N H 3<5S+ 0 0 93 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.768 109.7 47.1 -55.0 -30.0 56.3 57.8 8.6 109 116 A K T <<5S- 0 0 105 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.240 116.4-113.6 -94.5 8.6 53.2 58.8 10.7 110 117 A G T < 5S+ 0 0 22 -3,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.641 84.7 120.7 69.1 16.3 55.2 58.5 13.9 111 118 A L S - 0 0 50 1,-0.1 4,-2.8 44,-0.0 5,-0.2 -0.095 30.0 -98.2 -67.3-179.7 66.8 44.5 25.8 119 126 A P H > S+ 0 0 63 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.920 126.0 46.6 -69.5 -37.3 64.3 41.6 26.0 120 127 A E H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -3,-0.1 0.942 114.9 47.8 -66.7 -43.2 64.5 41.6 29.8 121 128 A Q H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.902 104.0 58.1 -63.4 -48.1 64.0 45.4 29.9 122 129 A T H X S+ 0 0 22 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.923 108.2 49.4 -49.4 -42.9 61.1 45.5 27.5 123 130 A R H >< S+ 0 0 136 -4,-1.5 3,-0.6 1,-0.2 4,-0.3 0.926 109.8 51.4 -62.4 -45.0 59.3 43.1 29.9 124 131 A E H >< S+ 0 0 129 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.889 109.2 47.8 -60.8 -45.2 60.1 45.3 32.9 125 132 A Y H 3< S+ 0 0 54 -4,-2.6 9,-3.1 1,-0.2 -1,-0.2 0.691 93.9 80.8 -71.5 -16.1 58.8 48.5 31.3 126 133 A R T << S- 0 0 87 -4,-1.1 7,-0.3 -3,-0.6 -1,-0.2 0.612 90.1-138.1 -69.0 -10.5 55.5 46.8 30.3 127 134 A G < - 0 0 23 -3,-0.9 -1,-0.2 -4,-0.3 2,-0.2 -0.373 20.2 -94.9 78.6-172.0 53.9 47.1 33.7 128 135 A T - 0 0 74 3,-1.9 5,-0.0 -2,-0.1 -4,-0.0 -0.475 49.4 -73.4-125.2-161.6 51.9 44.2 35.2 129 136 A L S S+ 0 0 150 1,-0.2 47,-0.0 -2,-0.2 -2,-0.0 0.525 134.0 23.1 -79.1 -2.0 48.2 43.4 35.2 130 137 A T S S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.456 114.2 71.4-134.9 -15.8 47.5 46.1 37.7 131 138 A Q S S- 0 0 131 1,-0.0 -3,-1.9 -5,-0.0 -1,-0.2 -0.927 79.9-125.7-110.7 124.1 50.4 48.5 37.2 132 139 A P - 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