==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 17-APR-00 1EUQ . COMPND 2 MOLECULE: GLUTAMINYL TRNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.D.SHERLIN,T.L.BULLOCK,K.J.NEWBERRY,R.S.A.LIPMAN,Y.-M.HOU,B . 530 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 12.5 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 . 3 0.6 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 . 2 0.4 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 . 46 8.7 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 . 116 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 2 0 1 0 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 2 2 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 5 3 2 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 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 0, 0.0 0.000 360.0 360.0 360.0 125.6 20.0 28.7 13.2 2 9 A N > - 0 0 27 305,-0.1 4,-3.0 307,-0.0 3,-0.2 -0.850 360.0 -84.4-134.9 175.8 22.3 30.1 15.9 3 10 A F H > S+ 0 0 49 305,-0.5 4,-2.4 -2,-0.3 5,-0.2 0.804 126.5 53.6 -58.0 -35.7 23.2 33.6 17.0 4 11 A I H > S+ 0 0 0 304,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.958 114.1 43.0 -65.1 -43.1 25.9 34.0 14.4 5 12 A R H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 109.8 57.2 -67.7 -35.7 23.4 33.1 11.7 6 13 A Q H X S+ 0 0 97 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.926 108.2 47.2 -60.7 -38.7 20.8 35.2 13.4 7 14 A I H X S+ 0 0 33 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.881 109.0 56.8 -69.7 -33.1 23.2 38.1 13.0 8 15 A I H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.902 105.2 48.1 -67.6 -38.6 23.7 37.1 9.4 9 16 A D H X S+ 0 0 67 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.896 114.4 48.2 -67.5 -39.3 20.0 37.3 8.5 10 17 A E H X S+ 0 0 123 -4,-1.8 4,-2.5 1,-0.2 5,-0.4 0.980 108.6 50.9 -64.4 -54.3 19.8 40.7 10.1 11 18 A D H X>S+ 0 0 18 -4,-3.1 6,-1.8 1,-0.2 5,-1.2 0.763 113.9 51.5 -54.7 -23.3 23.0 42.0 8.3 12 19 A L H ><5S+ 0 0 55 -4,-1.0 3,-1.0 -5,-0.2 5,-0.3 0.983 109.3 42.8 -75.1 -71.4 21.2 40.7 5.3 13 20 A A H 3<5S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.817 114.0 51.6 -43.2 -47.7 17.8 42.3 5.5 14 21 A S H 3<5S- 0 0 92 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.916 111.9-125.1 -58.7 -40.2 19.2 45.7 6.6 15 22 A G T <<5 + 0 0 49 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.635 68.5 137.9 100.0 19.4 21.4 45.4 3.6 16 23 A K S > -B 285 0B 2 252,-0.3 3,-2.4 253,-0.1 4,-1.2 -0.946 40.4 -85.9-136.2 160.6 41.0 18.2 15.5 34 41 A I H 3> S+ 0 0 0 250,-2.9 4,-1.8 -2,-0.3 5,-0.2 0.737 125.6 61.2 -33.3 -44.6 37.2 17.8 16.1 35 42 A G H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.929 103.0 50.1 -52.3 -49.9 37.1 21.3 17.6 36 43 A H H <> S+ 0 0 0 -3,-2.4 4,-4.1 1,-0.3 5,-0.3 0.963 102.7 60.6 -55.6 -46.6 38.2 22.6 14.3 37 44 A A H 3X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.3 -1,-0.3 0.868 103.6 51.5 -48.0 -38.8 35.5 20.5 12.6 38 45 A K H XX S+ 0 0 8 -4,-1.8 4,-2.4 -3,-0.6 3,-0.6 0.970 114.2 42.0 -60.8 -50.9 33.1 22.6 14.7 39 46 A S H 3X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 5,-0.3 0.913 112.6 56.0 -63.6 -34.8 34.8 25.7 13.4 40 47 A I H 3X S+ 0 0 0 -4,-4.1 4,-1.1 1,-0.2 -1,-0.2 0.735 108.8 46.1 -70.6 -25.4 34.9 24.1 9.9 41 48 A C H S+ 0 0 25 -4,-1.9 4,-3.2 -3,-0.6 5,-0.5 0.929 109.0 55.1 -80.8 -46.9 31.2 23.6 9.9 42 49 A L H X5S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.946 117.6 32.0 -49.0 -62.7 30.3 27.0 11.2 43 50 A N H X5S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -21,-0.3 0.874 124.7 42.5 -70.1 -39.3 32.2 28.9 8.5 44 51 A F H X5S+ 0 0 6 -4,-1.1 4,-2.1 -5,-0.3 5,-0.2 0.891 117.5 46.8 -76.0 -34.4 31.8 26.5 5.6 45 52 A G H X5S+ 0 0 9 -4,-3.2 4,-3.0 -5,-0.2 5,-0.2 0.911 109.5 51.7 -70.9 -44.6 28.1 25.8 6.3 46 53 A I H X<>S+ 0 0 2 -4,-1.5 5,-3.0 -5,-0.2 3,-0.8 0.947 115.2 40.3 -55.9 -55.0 28.6 30.3 3.5 48 55 A Q H ><5S+ 0 0 113 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.921 112.7 56.4 -64.7 -36.8 27.0 27.5 1.4 49 56 A D H 3<5S+ 0 0 83 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.776 116.2 37.4 -64.9 -22.1 23.7 27.9 3.2 50 57 A Y T <<5S- 0 0 50 -4,-1.4 -30,-0.4 -3,-0.8 -1,-0.3 0.194 115.2-111.4-114.1 17.5 23.8 31.6 2.1 51 58 A K T < 5S+ 0 0 173 -3,-1.7 -3,-0.2 -4,-0.1 2,-0.1 0.971 79.0 126.7 50.7 53.8 25.3 31.0 -1.3 52 59 A G < - 0 0 16 -5,-3.0 2,-0.4 -33,-0.1 -31,-0.2 -0.284 58.5 -99.1-117.8-153.8 28.4 32.7 -0.1 53 60 A Q E -a 21 0A 99 -33,-1.1 -31,-1.5 -2,-0.1 2,-0.3 -1.000 23.4-175.7-142.4 139.4 32.1 31.9 -0.0 54 61 A C E -a 22 0A 5 -2,-0.4 32,-3.3 -33,-0.2 2,-0.3 -0.927 15.3-159.7-126.7 144.4 34.4 30.7 2.7 55 62 A N E -a 23 0A 0 -33,-0.6 -31,-2.4 -2,-0.3 2,-0.5 -0.887 17.5-123.7-125.5 167.7 38.2 30.3 2.1 56 63 A L E +a 24 0A 0 32,-0.4 34,-2.6 30,-0.3 2,-0.4 -0.923 32.9 177.2-111.1 127.4 40.9 28.4 3.7 57 64 A R E -c 90 0C 0 -33,-2.3 2,-0.7 -2,-0.5 34,-0.3 -0.996 25.2-143.3-130.6 135.9 43.7 30.5 4.9 58 65 A F E -c 91 0C 0 32,-1.3 2,-2.7 -2,-0.4 34,-2.6 -0.921 14.4-144.8 -98.9 113.7 46.8 29.3 6.7 59 66 A D + 0 0 2 -33,-0.9 2,-1.4 -2,-0.7 3,-0.4 -0.497 35.3 167.4 -76.3 69.6 47.6 32.1 9.3 60 67 A D + 0 0 0 -2,-2.7 -1,-0.1 1,-0.2 133,-0.1 -0.471 24.4 124.6 -87.7 65.3 51.3 31.3 8.7 61 68 A T + 0 0 10 -2,-1.4 -1,-0.2 1,-0.2 3,-0.1 0.741 59.7 64.2 -96.7 -23.4 52.8 34.3 10.4 62 69 A N >> - 0 0 31 -3,-0.4 3,-1.6 1,-0.2 4,-1.1 -0.756 63.5-174.4-103.6 84.5 55.1 32.6 12.9 63 70 A P G >4 S+ 0 0 6 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.899 75.1 64.3 -43.1 -48.2 57.6 30.8 10.6 64 71 A V G 34 S+ 0 0 65 1,-0.2 126,-0.1 -3,-0.1 -2,-0.0 0.650 108.3 35.9 -56.1 -23.2 59.3 29.0 13.5 65 72 A K G <4 S+ 0 0 134 -3,-1.6 -1,-0.2 2,-0.0 2,-0.1 0.634 102.3 81.0-106.9 -18.4 56.4 26.9 14.7 66 73 A E << - 0 0 15 -4,-1.1 2,-0.3 -3,-0.7 -37,-0.2 -0.442 55.1-167.6 -88.6 162.4 54.7 26.0 11.4 67 74 A D >> - 0 0 71 -39,-1.6 3,-1.7 -2,-0.1 4,-0.9 -0.973 32.4-122.1-152.2 141.0 55.6 23.3 8.9 68 75 A I H 3> S+ 0 0 71 -2,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.813 106.4 70.2 -49.5 -36.4 54.6 22.4 5.3 69 76 A E H 3> S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.866 96.7 51.1 -51.7 -42.6 53.4 19.0 6.5 70 77 A Y H X> S+ 0 0 32 -3,-1.7 4,-2.9 -42,-0.2 3,-1.0 0.982 102.4 56.0 -62.0 -56.7 50.5 20.5 8.3 71 78 A V H 3X S+ 0 0 1 -4,-0.9 4,-1.7 1,-0.3 -1,-0.2 0.776 106.2 54.0 -48.1 -30.6 49.1 22.6 5.4 72 79 A E H 3X S+ 0 0 110 -4,-1.4 4,-1.8 -3,-0.2 -1,-0.3 0.928 115.0 39.5 -70.0 -43.7 48.9 19.4 3.3 73 80 A S H S+ 0 0 0 -4,-2.0 5,-2.0 -5,-0.3 4,-1.0 0.928 114.0 36.5 -63.8 -47.8 38.9 20.0 5.2 79 86 A E H ><5S+ 0 0 90 -4,-1.6 3,-2.4 -3,-0.4 4,-0.5 0.995 116.5 54.1 -64.1 -61.9 38.0 18.3 2.0 80 87 A W H 3<5S+ 0 0 75 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.770 102.2 57.8 -37.1 -46.5 37.6 15.0 3.7 81 88 A L H 3<5S- 0 0 1 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.879 128.5 -96.0 -57.2 -39.1 35.1 16.5 6.1 82 89 A G T <<5S+ 0 0 37 -3,-2.4 2,-0.3 -4,-1.0 -3,-0.2 0.521 81.9 114.9 132.2 20.5 33.0 17.5 3.2 83 90 A F < - 0 0 12 -5,-2.0 2,-0.4 -4,-0.5 -1,-0.3 -0.883 41.3-157.5-127.0 150.4 33.8 21.1 2.3 84 91 A H - 0 0 140 -2,-0.3 -30,-0.2 -40,-0.1 2,-0.2 -0.938 20.6-127.5-121.7 143.2 35.3 23.0 -0.5 85 92 A W - 0 0 53 -2,-0.4 2,-0.3 2,-0.1 -30,-0.2 -0.518 24.4-101.2 -93.8 156.8 36.8 26.4 -0.4 86 93 A S S S- 0 0 14 -32,-3.3 -30,-0.3 -2,-0.2 -1,-0.1 -0.541 81.7 -38.5 -71.1 129.5 36.2 29.5 -2.4 87 94 A G S S- 0 0 51 -2,-0.3 -2,-0.1 -32,-0.1 3,-0.1 -0.048 110.2 -16.5 50.2-148.5 38.9 30.0 -5.0 88 95 A N S S- 0 0 131 1,-0.1 2,-0.4 -33,-0.1 -32,-0.4 -0.070 78.7 -85.8 -81.0 178.5 42.4 29.1 -4.1 89 96 A V - 0 0 28 -34,-0.1 2,-0.4 -4,-0.1 -32,-0.2 -0.744 46.1-152.0 -83.8 129.8 44.0 28.5 -0.8 90 97 A R E -c 57 0C 50 -34,-2.6 -32,-1.3 -2,-0.4 2,-0.4 -0.895 6.1-159.0-107.6 142.0 45.1 31.8 0.6 91 98 A Y E > -c 58 0C 26 -2,-0.4 3,-1.8 -34,-0.3 4,-0.4 -0.905 25.3-130.2-114.9 145.1 48.0 32.1 2.9 92 99 A S G > S+ 0 0 0 -34,-2.6 3,-2.7 -2,-0.4 -33,-0.1 0.912 111.6 66.0 -59.9 -34.3 48.6 35.1 5.2 93 100 A S G > S+ 0 0 8 -35,-0.4 3,-1.6 1,-0.3 4,-0.3 0.730 85.4 70.6 -58.6 -21.7 52.1 35.0 3.8 94 101 A D G < S+ 0 0 84 -3,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.784 101.4 46.5 -63.4 -27.9 50.4 36.0 0.5 95 102 A Y G <> S+ 0 0 28 -3,-2.7 4,-2.9 -4,-0.4 -1,-0.3 0.181 78.2 113.0 -99.5 17.9 49.8 39.4 2.1 96 103 A F H <> S+ 0 0 1 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.956 81.8 40.9 -56.7 -54.1 53.3 39.9 3.6 97 104 A D H > S+ 0 0 82 -4,-0.3 4,-2.6 1,-0.3 5,-0.2 0.916 113.3 57.5 -61.7 -37.4 54.3 42.8 1.4 98 105 A Q H > S+ 0 0 92 1,-0.2 4,-2.3 -4,-0.2 -1,-0.3 0.941 106.2 47.7 -55.5 -49.0 50.8 44.1 1.9 99 106 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.883 109.3 55.8 -60.6 -37.4 51.3 44.0 5.7 100 107 A H H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.953 106.7 47.5 -59.4 -54.4 54.6 45.8 5.3 101 108 A A H X S+ 0 0 46 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.919 113.4 49.8 -53.1 -47.9 53.1 48.7 3.4 102 109 A Y H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.891 104.9 55.2 -61.2 -39.8 50.4 49.0 6.0 103 110 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.946 110.5 48.8 -57.8 -40.9 52.9 49.0 8.8 104 111 A I H X S+ 0 0 49 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.922 104.7 56.9 -65.1 -44.2 54.5 51.9 7.0 105 112 A E H X S+ 0 0 44 -4,-2.5 4,-2.8 1,-0.2 6,-0.2 0.943 109.8 46.3 -54.9 -42.8 51.2 53.7 6.6 106 113 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.5 0.963 113.0 49.9 -65.0 -44.5 50.8 53.5 10.4 107 114 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.7 4,-0.2 5,-0.3 0.950 113.7 43.9 -57.5 -53.3 54.4 54.7 10.9 108 115 A N H 3<5S+ 0 0 84 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.919 112.6 51.8 -57.5 -43.9 54.0 57.7 8.6 109 116 A K T 3<5S- 0 0 101 -4,-2.8 -1,-0.3 -5,-0.4 -2,-0.2 0.607 119.6-121.3 -69.2 -7.0 50.6 58.4 10.1 110 117 A G T < 5S+ 0 0 20 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.557 81.9 116.0 79.2 10.0 52.7 58.2 13.4 111 118 A L S - 0 0 34 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.282 35.7-100.2 -58.1 157.2 64.3 44.2 25.3 119 126 A P H > S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.933 129.1 53.1 -46.5 -50.2 61.4 41.7 25.5 120 127 A E H >> S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 3,-0.9 0.953 112.4 47.0 -47.9 -53.8 62.0 41.6 29.3 121 128 A Q H 3> S+ 0 0 68 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.930 104.1 57.5 -54.4 -56.5 61.7 45.4 29.2 122 129 A I H 3X S+ 0 0 17 -4,-2.8 4,-0.8 1,-0.2 -1,-0.3 0.772 109.0 48.6 -48.0 -32.2 58.6 45.6 27.0 123 130 A R H XX S+ 0 0 157 -4,-1.7 4,-0.7 -3,-0.9 3,-0.5 0.937 107.6 53.1 -74.9 -48.0 56.7 43.5 29.6 124 131 A E H >< S+ 0 0 124 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.932 110.8 47.2 -53.1 -47.2 57.9 45.5 32.6 125 132 A Y H 3< S+ 0 0 55 -4,-2.5 9,-3.1 1,-0.2 -1,-0.3 0.820 96.5 77.7 -66.0 -23.7 56.6 48.7 30.9 126 133 A R H << S- 0 0 77 -4,-0.8 -1,-0.2 -3,-0.5 2,-0.2 0.773 86.3-151.9 -57.8 -27.3 53.3 46.9 30.1 127 134 A G << - 0 0 23 -3,-1.1 2,-0.2 -4,-0.7 -1,-0.2 -0.563 23.0 -82.2 84.5-157.0 52.0 47.3 33.6 128 135 A T - 0 0 64 3,-3.2 3,-0.3 -2,-0.2 5,-0.0 -0.843 43.4 -76.6-139.8-178.1 49.5 44.6 34.9 129 136 A L S S+ 0 0 158 1,-0.3 47,-0.0 -2,-0.2 -2,-0.0 0.609 134.7 21.8 -57.7 -9.6 45.9 43.5 34.9 130 137 A T S S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.474 116.1 65.7-136.0 -9.6 45.4 46.3 37.5 131 138 A Q S S- 0 0 126 -3,-0.3 -3,-3.2 43,-0.0 -1,-0.2 -0.979 82.1-120.1-125.0 119.5 48.2 48.8 37.0 132 139 A P - 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