==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-MAY-00 1E1O . COMPND 2 MOLECULE: LYSYL-TRNA SYNTHETASE, HEAT INDUCIBLE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.DESOGUS,F.TODONE,P.BRICK,S.ONESTI . 485 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 41 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 2 0 0 2 2 1 3 0 1 0 0 0 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 3 1 0 3 1 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 11 A A > 0 0 128 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -70.4 61.4 51.2 61.3 2 12 A I H > + 0 0 67 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.736 360.0 74.4 -81.6 -24.5 64.7 49.9 60.0 3 13 A D H > S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.720 92.9 54.9 -60.6 -23.4 63.2 46.4 59.6 4 14 A F H > S+ 0 0 101 -3,-0.4 4,-2.1 2,-0.2 3,-0.3 0.919 103.9 52.1 -74.9 -45.8 61.2 47.7 56.6 5 15 A N H X S+ 0 0 100 -4,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.736 108.3 54.2 -63.0 -22.0 64.4 48.9 54.8 6 16 A D H X S+ 0 0 88 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.839 103.6 53.5 -78.1 -37.6 65.7 45.4 55.4 7 17 A E H X S+ 0 0 72 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.924 111.3 48.0 -59.4 -44.4 62.7 43.8 53.7 8 18 A L H X S+ 0 0 25 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 112.9 45.5 -62.6 -50.4 63.4 46.0 50.7 9 19 A R H X S+ 0 0 120 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.912 112.8 52.6 -60.5 -42.4 67.1 45.2 50.5 10 20 A N H X S+ 0 0 59 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.901 110.5 46.0 -61.5 -44.5 66.3 41.5 51.0 11 21 A R H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.916 111.7 51.6 -67.3 -41.2 63.8 41.4 48.1 12 22 A R H X S+ 0 0 131 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.917 110.9 49.5 -58.4 -46.0 66.1 43.4 45.8 13 23 A E H X S+ 0 0 100 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.865 110.1 49.2 -63.5 -38.8 68.9 40.9 46.6 14 24 A K H X S+ 0 0 54 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.878 111.0 50.8 -67.8 -36.6 66.6 37.9 45.9 15 25 A L H X S+ 0 0 11 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.942 106.4 54.9 -64.6 -45.1 65.6 39.6 42.6 16 26 A A H X S+ 0 0 53 -4,-2.8 4,-1.7 1,-0.3 -2,-0.2 0.899 107.8 50.0 -53.6 -43.2 69.3 40.1 41.7 17 27 A A H X S+ 0 0 46 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.885 108.3 53.1 -63.4 -39.1 69.8 36.3 42.2 18 28 A L H X S+ 0 0 39 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.903 106.3 53.0 -62.2 -41.8 66.8 35.6 39.9 19 29 A R H < S+ 0 0 142 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.883 106.6 52.7 -62.6 -37.9 68.3 37.7 37.2 20 30 A Q H < S+ 0 0 172 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 107.1 53.1 -65.7 -33.5 71.6 35.8 37.4 21 31 A Q H < S- 0 0 151 -4,-1.5 2,-0.3 -3,-0.1 -1,-0.2 0.692 124.2 -84.0 -76.1 -22.4 69.7 32.5 37.0 22 32 A G S < S+ 0 0 46 -4,-1.1 2,-0.8 -3,-0.4 -1,-0.1 -0.941 92.3 10.8 157.2-133.5 67.8 33.5 33.8 23 33 A V - 0 0 123 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.750 55.5-165.8 -86.3 109.9 64.7 35.4 33.1 24 34 A A S S+ 0 0 12 -2,-0.8 113,-0.2 1,-0.2 -1,-0.2 0.837 80.9 42.8 -63.1 -36.5 63.6 37.0 36.4 25 35 A F S S- 0 0 87 111,-0.1 -1,-0.2 -6,-0.0 111,-0.1 -0.756 78.0-179.8-117.4 85.4 60.1 37.8 35.2 26 36 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.187 20.6-159.6 -75.1 169.3 58.6 34.9 33.2 27 37 A N + 0 0 137 3,-0.0 3,-0.1 0, 0.0 -2,-0.0 -0.723 62.0 94.1-147.9 92.6 55.1 34.9 31.6 28 38 A D + 0 0 102 -2,-0.2 2,-0.1 1,-0.1 107,-0.0 0.440 44.5 103.7-154.3 -38.7 54.4 31.2 31.1 29 39 A F - 0 0 21 1,-0.0 2,-0.4 83,-0.0 -1,-0.1 -0.402 49.3-163.5 -65.7 135.0 52.4 29.7 34.0 30 40 A R - 0 0 154 -2,-0.1 2,-0.2 -3,-0.1 29,-0.0 -0.976 2.6-157.8-124.9 130.7 48.7 29.1 33.2 31 41 A R - 0 0 107 -2,-0.4 28,-0.2 1,-0.1 3,-0.1 -0.603 10.9-166.0 -98.1 164.2 46.0 28.5 35.7 32 42 A D S S+ 0 0 91 26,-2.2 2,-0.3 1,-0.2 27,-0.2 0.325 70.7 41.0-128.9 3.4 42.7 26.8 35.0 33 43 A H - 0 0 44 25,-1.5 27,-0.3 4,-0.0 2,-0.3 -0.996 60.3-147.5-151.3 144.8 40.8 27.7 38.2 34 44 A T >> - 0 0 18 -2,-0.3 4,-1.7 25,-0.1 3,-0.9 -0.824 37.8-107.0-107.1 158.0 40.2 30.7 40.5 35 45 A S H 3> S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.857 117.1 55.2 -52.8 -45.5 39.6 30.2 44.3 36 46 A D H 3> S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.855 107.5 50.4 -57.2 -37.1 35.9 31.1 44.2 37 47 A Q H <> S+ 0 0 90 -3,-0.9 4,-2.1 2,-0.2 5,-0.2 0.894 110.2 49.6 -68.1 -42.4 35.3 28.4 41.5 38 48 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.908 114.1 45.3 -63.5 -42.8 37.1 25.8 43.6 39 49 A H H X S+ 0 0 51 -4,-2.5 4,-2.7 3,-0.2 5,-0.3 0.951 111.2 52.1 -66.1 -49.8 35.1 26.7 46.7 40 50 A E H < S+ 0 0 170 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.916 121.6 32.1 -50.2 -50.4 31.7 26.8 44.8 41 51 A E H < S+ 0 0 107 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.826 132.3 27.8 -80.7 -33.6 32.2 23.4 43.3 42 52 A F H >< S+ 0 0 3 -4,-2.6 3,-1.7 -5,-0.2 -3,-0.2 0.604 89.7 87.1-114.2 -11.1 34.2 21.7 46.1 43 53 A D T 3< S+ 0 0 77 -4,-2.7 -3,-0.1 -5,-0.3 -1,-0.1 0.838 91.6 54.4 -56.0 -36.6 33.4 23.2 49.5 44 54 A A T 3 S+ 0 0 97 -5,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.494 92.3 90.4 -79.4 -3.0 30.5 20.8 49.9 45 55 A K < - 0 0 64 -3,-1.7 2,-0.1 2,-0.0 -3,-0.0 -0.790 69.5-139.0 -98.7 134.1 32.6 17.7 49.3 46 56 A D >> - 0 0 86 -2,-0.4 4,-2.0 1,-0.1 3,-0.8 -0.442 33.4 -96.4 -84.0 168.0 34.3 15.8 52.1 47 57 A N H 3> S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.771 121.6 60.5 -55.1 -31.4 37.9 14.4 52.0 48 58 A Q H 3> S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 108.3 43.8 -63.0 -45.1 36.6 10.9 51.1 49 59 A E H <> S+ 0 0 74 -3,-0.8 4,-2.7 1,-0.2 5,-0.2 0.934 114.4 48.5 -64.7 -49.5 34.9 12.3 47.9 50 60 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 5,-0.4 0.821 107.1 58.1 -62.2 -31.5 37.9 14.4 46.9 51 61 A E H < S+ 0 0 69 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.937 113.3 37.2 -64.9 -45.9 40.2 11.5 47.4 52 62 A S H < S+ 0 0 99 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 115.7 53.5 -75.4 -34.9 38.4 9.3 44.9 53 63 A L H < S- 0 0 82 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.814 84.7-166.8 -66.9 -33.3 37.7 12.2 42.5 54 64 A N < - 0 0 109 -4,-1.9 2,-0.6 -5,-0.2 -3,-0.1 0.860 11.1-172.3 45.4 54.7 41.4 13.0 42.5 55 65 A I - 0 0 44 -5,-0.4 62,-2.3 62,-0.2 2,-0.4 -0.664 10.7-159.1 -86.0 115.1 41.0 16.4 40.9 56 66 A E E +A 116 0A 102 -2,-0.6 2,-0.3 60,-0.2 60,-0.2 -0.760 18.1 173.6 -91.8 134.1 44.2 18.3 39.8 57 67 A V E -A 115 0A 0 58,-2.8 58,-2.3 -2,-0.4 2,-0.4 -0.884 25.4-137.1-135.0 167.2 43.9 22.0 39.3 58 68 A S E +A 114 0A 12 -2,-0.3 -26,-2.2 56,-0.2 -25,-1.5 -0.998 26.9 169.2-128.1 130.0 46.2 25.0 38.6 59 69 A V E -A 113 0A 0 54,-3.1 54,-2.9 -2,-0.4 2,-0.3 -0.859 11.2-168.1-132.9 166.9 45.9 28.4 40.4 60 70 A A E +A 112 0A 14 -27,-0.3 2,-0.3 -2,-0.3 52,-0.2 -0.979 26.4 108.2-156.6 147.6 47.9 31.5 40.7 61 71 A G E -A 111 0A 11 50,-2.4 50,-3.0 -2,-0.3 2,-0.4 -0.985 63.1 -36.6 171.9-164.7 47.9 34.6 42.9 62 72 A R E -AB 110 78A 67 16,-2.7 16,-2.7 -2,-0.3 2,-0.9 -0.696 49.9-125.2 -90.8 130.1 49.5 36.5 45.7 63 73 A M E + B 0 77A 0 46,-2.9 45,-3.2 -2,-0.4 46,-0.2 -0.666 37.2 169.9 -75.0 105.2 51.1 34.6 48.6 64 74 A M E + 0 0 18 12,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.831 60.9 11.6 -88.2 -40.0 49.4 36.2 51.6 65 75 A T E - B 0 76A 63 11,-1.1 11,-2.0 2,-0.0 2,-0.3 -0.980 58.9-175.5-139.0 152.5 50.4 33.9 54.4 66 76 A R E - B 0 75A 58 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.941 7.6-172.3-150.9 126.8 53.0 31.1 54.9 67 77 A R E - B 0 74A 174 7,-2.4 7,-1.8 -2,-0.3 2,-0.5 -0.944 14.9-160.8-119.8 102.0 53.6 28.9 57.8 68 78 A I E + B 0 73A 69 -2,-0.6 5,-0.2 5,-0.2 3,-0.1 -0.759 14.0 175.4 -85.5 126.1 56.7 26.8 57.2 69 79 A M E > - B 0 72A 99 3,-2.6 3,-0.6 -2,-0.5 2,-0.5 -0.420 53.7 -88.0-128.8 60.1 57.0 23.7 59.4 70 80 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.2 19,-0.0 20,-0.1 -0.664 112.7 10.0 78.1-120.6 60.0 21.9 58.3 71 81 A K T 3 S+ 0 0 47 -2,-0.5 19,-2.6 -3,-0.1 20,-0.3 0.502 133.2 43.2 -72.9 -6.4 59.3 19.4 55.5 72 82 A A E < -BC 69 89A 17 -3,-0.6 -3,-2.6 17,-0.2 2,-0.3 -0.979 62.5-175.9-142.0 153.6 55.8 20.9 55.0 73 83 A S E -BC 68 88A 0 15,-2.3 15,-2.1 -2,-0.3 2,-0.4 -0.941 19.0-136.1-144.6 162.2 54.2 24.3 54.8 74 84 A F E -BC 67 87A 63 -7,-1.8 -7,-2.4 -2,-0.3 2,-0.4 -0.990 23.5-173.5-125.3 130.4 50.7 25.9 54.5 75 85 A V E -BC 66 86A 0 11,-2.4 11,-2.8 -2,-0.4 2,-0.6 -0.950 19.4-146.2-127.2 140.2 50.1 28.9 52.2 76 86 A T E -BC 65 85A 16 -11,-2.0 -12,-2.4 -2,-0.4 -11,-1.1 -0.957 20.2-162.9-103.1 121.8 47.2 31.1 51.7 77 87 A L E -BC 63 84A 0 7,-2.8 7,-2.2 -2,-0.6 2,-0.6 -0.921 1.8-156.7-107.8 129.1 47.0 32.2 48.0 78 88 A Q E +BC 62 83A 16 -16,-2.7 -16,-2.7 -2,-0.5 5,-0.2 -0.933 21.9 160.0-110.6 117.2 44.8 35.2 47.1 79 89 A D E > - 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