==== 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 1O0B . 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) . 23492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 67.0 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 . 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 22.6 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 2 2 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 3 2 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 0 138 0, 0.0 2,-0.3 0, 0.0 307,-0.2 0.000 360.0 360.0 360.0 160.9 21.4 28.5 13.7 2 9 A N > - 0 0 26 305,-0.1 4,-1.8 1,-0.0 3,-0.2 -0.930 360.0 -79.0-161.1 177.4 23.7 30.1 16.3 3 10 A F H > S+ 0 0 53 305,-0.6 4,-1.8 -2,-0.3 5,-0.1 0.864 126.2 52.6 -58.6 -33.7 24.7 33.6 17.4 4 11 A I H > S+ 0 0 0 304,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 109.0 47.4 -71.0 -38.2 27.1 34.0 14.5 5 12 A R H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.794 108.7 56.2 -72.7 -27.0 24.6 33.1 11.8 6 13 A Q H X S+ 0 0 95 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.918 108.9 46.5 -70.2 -39.6 22.1 35.5 13.4 7 14 A I H X S+ 0 0 34 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.978 112.0 51.0 -63.0 -52.6 24.7 38.3 13.0 8 15 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.907 109.5 51.2 -50.1 -48.0 25.4 37.2 9.4 9 16 A D H X S+ 0 0 71 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.936 109.2 49.6 -55.5 -52.3 21.6 37.3 8.7 10 17 A E H X S+ 0 0 124 -4,-2.4 4,-3.0 1,-0.2 6,-0.3 0.828 110.4 51.2 -59.2 -33.4 21.3 40.8 10.1 11 18 A D H X>S+ 0 0 16 -4,-2.4 4,-1.8 2,-0.2 5,-1.4 0.963 112.4 45.2 -68.3 -49.5 24.2 42.0 8.0 12 19 A L H <5S+ 0 0 58 -4,-2.7 3,-0.3 2,-0.2 -2,-0.2 0.941 115.8 47.7 -58.8 -46.2 22.7 40.5 4.9 13 20 A A H <5S+ 0 0 89 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.950 112.4 47.7 -60.4 -51.2 19.3 42.0 5.8 14 21 A S H <5S- 0 0 87 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.733 111.5-119.0 -63.8 -23.6 20.7 45.4 6.6 15 22 A G T <5S+ 0 0 52 -4,-1.8 -3,-0.2 -3,-0.3 -4,-0.1 0.503 80.0 123.8 94.9 5.0 22.7 45.5 3.4 16 23 A K S > -B 285 0B 6 252,-0.3 3,-1.1 -2,-0.2 4,-1.0 -0.640 39.6 -89.7-114.0 174.3 42.6 18.3 16.1 34 41 A I H 3> S+ 0 0 0 250,-2.2 4,-1.1 1,-0.3 5,-0.1 0.755 123.1 65.4 -58.9 -24.1 38.8 18.0 16.5 35 42 A G H >> S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.921 101.8 50.2 -63.6 -37.2 38.6 21.5 17.9 36 43 A H H <> S+ 0 0 25 -3,-1.1 4,-2.6 1,-0.3 -1,-0.2 0.823 101.8 61.4 -69.1 -29.8 39.7 22.7 14.5 37 44 A A H 3X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -1,-0.3 0.785 100.5 54.5 -66.2 -27.2 37.0 20.5 12.9 38 45 A K H S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.6 0.924 113.9 44.4 -68.0 -46.0 36.2 24.1 9.8 41 48 A C H X5S+ 0 0 22 -4,-2.2 4,-1.7 3,-0.2 5,-0.3 0.922 115.0 50.2 -64.3 -43.0 32.6 23.1 9.9 42 49 A L H X5S+ 0 0 8 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.986 120.9 31.8 -58.4 -60.7 31.7 26.5 11.3 43 50 A N H X5S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.925 125.3 40.4 -67.6 -50.3 33.5 28.5 8.6 44 51 A F H X5S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.3 -3,-0.2 0.887 116.5 51.9 -68.4 -35.8 33.2 26.2 5.6 45 52 A G H XS+ 0 0 5 -4,-1.7 5,-3.0 1,-0.2 -2,-0.2 0.971 112.2 42.0 -57.0 -57.3 30.1 29.7 3.3 48 55 A Q H ><5S+ 0 0 107 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.903 115.3 49.3 -60.6 -42.4 28.2 26.9 1.6 49 56 A D H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.951 117.1 41.6 -62.4 -45.0 24.9 27.6 3.3 50 57 A Y T 3<5S- 0 0 49 -4,-2.9 -1,-0.3 -5,-0.2 -30,-0.3 0.190 113.8-117.0 -88.8 19.3 25.1 31.3 2.5 51 58 A K T < 5S+ 0 0 167 -3,-1.3 -3,-0.2 1,-0.1 2,-0.1 0.928 75.9 120.4 43.8 56.9 26.4 30.6 -1.0 52 59 A G < - 0 0 15 -5,-3.0 2,-0.3 -6,-0.1 -31,-0.2 -0.362 61.2 -87.5-125.3-154.0 29.7 32.3 -0.2 53 60 A Q E -a 21 0A 98 -33,-2.0 -31,-2.3 -2,-0.1 2,-0.4 -0.960 23.4-170.2-131.6 148.9 33.4 31.7 -0.0 54 61 A C E -a 22 0A 4 -2,-0.3 32,-2.2 30,-0.2 -31,-0.3 -0.978 13.6-150.7-140.6 121.1 35.8 30.3 2.6 55 62 A N E -a 23 0A 0 -33,-1.7 -31,-2.6 -2,-0.4 2,-0.6 -0.507 11.1-136.9 -90.3 158.2 39.6 30.4 2.3 56 63 A L E -a 24 0A 0 32,-0.4 34,-2.8 30,-0.3 2,-0.4 -0.977 33.3-179.1-112.3 116.5 42.1 28.0 3.8 57 64 A R E -c 90 0C 0 -33,-2.9 2,-0.8 -2,-0.6 34,-0.2 -0.975 27.1-144.1-125.6 133.3 45.0 30.1 5.1 58 65 A F E -c 91 0C 0 32,-2.0 34,-2.7 -2,-0.4 2,-2.3 -0.867 15.1-147.4 -94.3 109.5 48.2 29.1 6.8 59 66 A D + 0 0 3 -33,-2.3 2,-1.0 -2,-0.8 3,-0.3 -0.522 32.7 168.7 -75.3 73.4 48.9 31.8 9.4 60 67 A D + 0 0 0 -2,-2.3 -1,-0.1 1,-0.2 133,-0.1 -0.427 25.9 122.4 -96.2 67.7 52.6 31.4 8.9 61 68 A T + 0 0 10 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.0 0.599 64.5 63.3 -99.8 -11.8 54.3 34.3 10.8 62 69 A N >> - 0 0 30 -3,-0.3 3,-2.0 1,-0.2 4,-0.5 -0.721 59.2-178.8-118.3 82.1 56.5 32.3 13.1 63 70 A P G >4 S+ 0 0 8 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.851 77.1 63.0 -45.8 -46.0 59.0 30.3 11.0 64 71 A V G 34 S+ 0 0 73 1,-0.3 126,-0.0 125,-0.1 -2,-0.0 0.706 108.7 42.0 -58.9 -18.3 60.7 28.6 14.0 65 72 A K G <4 S+ 0 0 118 -3,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.479 102.9 81.1-107.8 -1.4 57.5 26.8 15.0 66 73 A E << - 0 0 16 -3,-1.6 2,-0.3 -4,-0.5 -37,-0.2 -0.716 48.7-175.4-112.4 157.4 56.3 25.8 11.5 67 74 A D >> - 0 0 75 -39,-1.6 4,-1.1 -2,-0.3 3,-0.7 -0.982 35.2-123.1-145.4 154.3 57.0 22.9 9.1 68 75 A I H 3> S+ 0 0 65 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.808 108.2 68.0 -69.3 -25.1 55.9 22.0 5.6 69 76 A E H 3> S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 100.4 50.4 -60.0 -36.8 54.7 18.6 7.0 70 77 A Y H <> S+ 0 0 31 -3,-0.7 4,-2.7 -42,-0.2 -1,-0.2 0.906 105.7 51.2 -70.6 -43.2 52.0 20.5 8.8 71 78 A V H X S+ 0 0 2 -4,-1.1 4,-2.4 -43,-0.2 5,-0.3 0.977 112.7 49.2 -61.0 -43.4 50.7 22.6 5.9 72 79 A E H X S+ 0 0 116 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.884 112.5 47.0 -59.7 -42.8 50.4 19.3 3.9 73 80 A S H X S+ 0 0 10 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.867 110.4 52.4 -68.1 -36.7 48.6 17.6 6.7 74 81 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.963 109.5 47.6 -64.9 -50.5 46.2 20.4 7.3 75 82 A K H X S+ 0 0 53 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.883 112.8 52.7 -56.5 -38.0 45.2 20.6 3.6 76 83 A N H X S+ 0 0 85 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.928 110.9 43.4 -65.0 -47.0 44.7 16.8 3.8 77 84 A D H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.870 111.9 53.5 -68.9 -38.5 42.4 16.8 6.8 78 85 A V H X>S+ 0 0 0 -4,-2.6 5,-1.7 2,-0.2 4,-0.8 0.946 113.1 44.3 -60.3 -48.4 40.3 19.8 5.5 79 86 A E H ><5S+ 0 0 111 -4,-2.1 3,-1.9 -5,-0.3 -2,-0.2 0.971 111.3 53.3 -59.8 -52.2 39.8 17.9 2.3 80 87 A W H 3<5S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 101.9 58.8 -52.6 -39.0 39.1 14.6 4.1 81 88 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.759 123.4-106.2 -64.2 -24.1 36.4 16.3 6.2 82 89 A G T <<5S+ 0 0 39 -3,-1.9 2,-0.3 -4,-0.8 -3,-0.2 0.556 73.8 127.3 110.9 18.0 34.7 17.2 3.0 83 90 A F < - 0 0 13 -5,-1.7 2,-0.4 -4,-0.1 -1,-0.3 -0.744 41.7-151.4-113.7 152.1 35.2 20.9 2.5 84 91 A H - 0 0 165 -2,-0.3 -30,-0.2 -40,-0.1 2,-0.1 -0.966 15.0-140.7-120.5 131.4 36.6 23.0 -0.4 85 92 A W - 0 0 55 -2,-0.4 2,-0.6 2,-0.1 -30,-0.3 -0.448 29.6 -94.1 -87.4 164.6 38.3 26.3 0.1 86 93 A S S S- 0 0 17 -32,-2.2 -30,-0.3 -2,-0.1 -1,-0.1 -0.661 79.8 -43.4 -82.6 113.6 38.0 29.4 -2.1 87 94 A G S S- 0 0 54 -2,-0.6 -2,-0.1 -32,-0.1 3,-0.1 -0.301 110.8 -4.4 67.2-150.0 40.7 29.6 -4.8 88 95 A N S S- 0 0 133 1,-0.1 -32,-0.4 -33,-0.0 2,-0.3 -0.226 84.7 -91.3 -70.8 167.3 44.3 28.8 -3.9 89 96 A V - 0 0 24 -34,-0.1 2,-0.2 -4,-0.1 -32,-0.2 -0.654 50.1-144.9 -76.5 133.0 45.5 28.0 -0.5 90 97 A R E -c 57 0C 54 -34,-2.8 -32,-2.0 -2,-0.3 2,-0.3 -0.610 13.1-161.8-100.4 166.6 46.6 31.3 1.0 91 98 A Y E > -c 58 0C 25 -34,-0.2 3,-1.9 -2,-0.2 4,-0.4 -0.991 29.1-129.6-145.1 142.2 49.4 32.0 3.4 92 99 A S G > S+ 0 0 0 -34,-2.7 3,-2.4 -2,-0.3 -33,-0.1 0.895 111.6 66.3 -57.7 -34.5 50.1 34.9 5.7 93 100 A S G > S+ 0 0 9 -35,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.671 82.9 72.0 -61.1 -19.4 53.5 34.9 4.0 94 101 A D G < S+ 0 0 87 -3,-1.9 -1,-0.3 1,-0.3 3,-0.3 0.741 101.0 47.2 -66.8 -22.0 51.9 35.8 0.7 95 102 A Y G <> S+ 0 0 25 -3,-2.4 4,-3.2 -4,-0.4 5,-0.3 0.275 74.0 113.2-103.1 11.3 51.4 39.2 2.3 96 103 A F H <> S+ 0 0 3 -3,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.801 82.6 45.6 -53.4 -34.1 54.9 39.7 3.7 97 104 A D H > S+ 0 0 100 -3,-0.3 4,-1.3 -4,-0.2 -1,-0.2 0.893 114.4 47.7 -75.4 -41.0 55.6 42.6 1.2 98 105 A Q H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.896 111.4 50.6 -64.9 -45.5 52.2 44.2 1.9 99 106 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.918 109.7 50.0 -60.5 -44.3 52.7 43.9 5.6 100 107 A H H X S+ 0 0 26 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.793 111.3 50.5 -63.9 -30.6 56.1 45.5 5.4 101 108 A A H X S+ 0 0 50 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.920 110.6 48.4 -72.8 -44.9 54.6 48.3 3.3 102 109 A Y H X S+ 0 0 30 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.848 107.2 54.5 -64.0 -37.0 51.8 48.8 5.9 103 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.891 107.0 52.9 -63.9 -36.8 54.3 48.9 8.8 104 111 A I H X S+ 0 0 51 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.812 106.3 53.5 -67.7 -29.4 56.1 51.7 6.9 105 112 A E H X S+ 0 0 42 -4,-1.3 4,-1.9 2,-0.2 6,-0.2 0.945 108.1 48.8 -69.9 -47.2 52.7 53.5 6.6 106 113 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 6,-0.6 0.911 112.8 49.2 -58.5 -41.6 52.3 53.3 10.4 107 114 A I H ><5S+ 0 0 0 -4,-2.3 3,-2.7 4,-0.2 5,-0.2 0.970 110.3 49.0 -61.9 -52.0 55.8 54.6 10.9 108 115 A N H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 111.1 51.9 -58.3 -26.7 55.3 57.5 8.4 109 116 A K T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.357 117.3-116.8 -90.8 4.5 52.1 58.3 10.3 110 117 A G T < 5S+ 0 0 26 -3,-2.7 -3,-0.2 2,-0.1 -2,-0.1 0.516 87.0 114.1 71.2 7.9 54.1 58.3 13.6 111 118 A L S - 0 0 44 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.151 31.2-100.1 -62.8 166.2 65.7 44.1 25.4 119 126 A P H > S+ 0 0 65 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.831 129.2 49.2 -61.3 -22.0 63.0 41.3 25.4 120 127 A E H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.937 108.4 52.2 -79.1 -43.1 63.3 41.4 29.2 121 128 A Q H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.813 102.3 59.6 -61.2 -35.9 62.9 45.2 29.3 122 129 A I H X S+ 0 0 19 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.934 107.4 45.3 -61.2 -44.7 59.8 45.2 27.2 123 130 A R H >X S+ 0 0 142 -4,-1.0 4,-0.7 -3,-0.2 3,-0.5 0.962 112.4 52.3 -62.8 -48.3 58.0 43.0 29.8 124 131 A E H 3< S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.746 114.3 41.9 -56.9 -33.8 59.3 45.2 32.6 125 132 A Y H 3< S+ 0 0 54 -4,-1.8 9,-2.7 -3,-0.2 -1,-0.3 0.682 97.8 80.9 -86.7 -19.9 58.0 48.4 31.0 126 133 A R H << S- 0 0 79 -4,-1.6 7,-0.3 -3,-0.5 2,-0.2 0.770 88.8-139.1 -58.0 -32.8 54.7 46.7 30.0 127 134 A G < - 0 0 28 -4,-0.7 2,-0.2 -3,-0.2 -1,-0.2 -0.549 19.5 -84.2 99.5-170.4 53.0 47.1 33.4 128 135 A T - 0 0 59 3,-2.3 5,-0.1 -2,-0.2 -4,-0.0 -0.646 45.7 -85.7-125.3-174.8 50.9 44.5 35.2 129 136 A L S S+ 0 0 157 -2,-0.2 47,-0.0 1,-0.2 -2,-0.0 0.735 132.5 24.5 -67.2 -17.4 47.2 43.5 35.0 130 137 A T S S+ 0 0 139 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.550 114.3 66.9-124.1 -8.0 46.6 46.3 37.5 131 138 A Q S S- 0 0 131 43,-0.0 -3,-2.3 1,-0.0 -1,-0.1 -0.946 83.1-116.4-116.0 133.8 49.5 48.8 37.0 132 139 A P - 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