==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-MAY-00 1E22 . COMPND 2 MOLECULE: LYSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.DESOGUS,F.TODONE,P.BRICK,S.ONESTI . 486 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 72.6 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 19.5 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 . 6 1.2 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 . 39 8.0 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 . 140 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 1 1 0 2 3 1 2 0 1 0 0 0 1 0 0 0 2 0 0 1 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 0 131 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -82.6 61.1 50.3 61.6 2 12 A I H 3> + 0 0 69 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.625 360.0 77.6 -83.6 -16.0 64.3 49.2 59.9 3 13 A D H 3> S+ 0 0 70 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.722 90.0 56.6 -65.6 -21.9 62.9 45.7 59.6 4 14 A F H <> S+ 0 0 98 -3,-0.5 4,-2.2 2,-0.2 3,-0.4 0.927 105.2 48.7 -74.7 -46.6 60.8 47.1 56.7 5 15 A N H X S+ 0 0 99 -4,-0.6 4,-2.1 1,-0.3 -2,-0.2 0.745 107.9 56.1 -65.0 -20.8 63.9 48.2 54.8 6 16 A D H X S+ 0 0 101 -4,-1.2 4,-2.3 2,-0.2 -1,-0.3 0.829 105.6 51.7 -77.3 -33.8 65.4 44.8 55.4 7 17 A E H X S+ 0 0 67 -4,-1.0 4,-2.0 -3,-0.4 5,-0.2 0.917 110.9 47.0 -66.4 -44.6 62.3 43.4 53.7 8 18 A L H X S+ 0 0 22 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.916 114.2 47.7 -63.6 -42.8 62.9 45.6 50.7 9 19 A R H X S+ 0 0 57 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.899 112.2 49.4 -65.7 -40.2 66.6 44.7 50.6 10 20 A N H X S+ 0 0 75 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.836 111.6 46.7 -69.0 -36.0 65.9 41.0 50.9 11 21 A R H X S+ 0 0 3 -4,-2.0 4,-1.9 128,-0.2 -1,-0.2 0.885 112.4 50.4 -72.9 -39.2 63.3 40.9 48.2 12 22 A R H X S+ 0 0 144 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.899 111.6 49.3 -64.2 -41.6 65.5 42.9 45.8 13 23 A E H X S+ 0 0 112 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.809 109.7 50.7 -67.9 -34.2 68.4 40.5 46.6 14 24 A K H X S+ 0 0 54 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.845 109.4 51.9 -71.1 -35.0 66.2 37.5 45.9 15 25 A L H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 3,-0.5 0.948 105.9 53.3 -64.9 -49.6 65.1 39.1 42.6 16 26 A A H X S+ 0 0 53 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.868 108.4 51.3 -52.8 -38.2 68.8 39.6 41.6 17 27 A A H X S+ 0 0 47 -4,-1.3 4,-0.8 1,-0.2 -1,-0.3 0.861 107.4 53.2 -68.2 -34.4 69.3 35.9 42.2 18 28 A L H X S+ 0 0 39 -4,-1.5 4,-1.4 -3,-0.5 3,-0.3 0.853 105.8 53.4 -66.6 -38.4 66.3 35.1 40.0 19 29 A R H < S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 105.3 53.6 -67.4 -33.9 67.8 37.1 37.2 20 30 A Q H < S+ 0 0 172 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.747 109.0 51.2 -72.7 -22.1 71.0 35.2 37.4 21 31 A Q H < S- 0 0 147 -4,-0.8 2,-0.3 -3,-0.3 -2,-0.2 0.775 124.8 -78.4 -85.8 -30.0 69.1 31.9 37.1 22 32 A G S < S+ 0 0 46 -4,-1.4 2,-0.9 0, 0.0 -1,-0.1 -0.885 91.8 2.2 167.6-135.3 67.0 32.8 34.0 23 33 A V - 0 0 121 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.759 52.9-165.0 -87.4 107.8 64.0 34.8 33.3 24 34 A A S S+ 0 0 10 -2,-0.9 113,-0.2 1,-0.3 -1,-0.2 0.852 84.6 45.5 -58.9 -34.0 63.0 36.4 36.6 25 35 A F S S+ 0 0 91 -3,-0.1 -1,-0.3 111,-0.1 111,-0.1 -0.695 77.6 178.1-116.4 80.9 59.6 37.2 35.1 26 36 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.284 20.3-163.1 -76.4 164.5 58.1 34.3 33.2 27 37 A N + 0 0 136 1,-0.0 -2,-0.0 -2,-0.0 3,-0.0 -0.678 62.2 94.6-145.3 81.8 54.7 34.3 31.5 28 38 A D + 0 0 100 -2,-0.2 2,-0.1 1,-0.0 107,-0.0 0.498 47.9 101.4-145.2 -29.8 54.0 30.6 30.9 29 39 A F - 0 0 20 1,-0.0 2,-0.4 106,-0.0 31,-0.0 -0.439 49.2-166.3 -70.1 138.0 52.0 29.1 33.8 30 40 A R - 0 0 156 -2,-0.1 2,-0.2 29,-0.0 29,-0.1 -0.991 4.4-158.8-131.3 134.1 48.3 28.6 33.1 31 41 A R - 0 0 106 -2,-0.4 28,-0.2 1,-0.1 3,-0.1 -0.622 10.3-163.8-103.5 164.9 45.5 27.9 35.6 32 42 A D S S+ 0 0 89 26,-2.0 2,-0.3 -2,-0.2 27,-0.2 0.271 70.8 41.0-131.1 7.4 42.2 26.3 34.9 33 43 A H - 0 0 48 25,-1.3 2,-0.3 4,-0.0 27,-0.3 -0.995 60.1-146.3-155.3 148.5 40.3 27.3 38.0 34 44 A T >> - 0 0 17 -2,-0.3 4,-1.8 25,-0.1 3,-1.4 -0.861 37.9-106.7-113.2 154.8 39.8 30.1 40.4 35 45 A S H 3> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.848 117.5 54.8 -46.0 -48.8 39.2 29.6 44.1 36 46 A D H 3> S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.788 107.6 51.6 -59.4 -29.8 35.4 30.5 44.0 37 47 A Q H <> S+ 0 0 91 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.923 110.0 47.8 -71.8 -47.4 34.9 27.9 41.3 38 48 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.916 116.4 45.1 -59.8 -43.4 36.6 25.2 43.4 39 49 A H H X S+ 0 0 49 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.982 109.7 51.6 -65.4 -58.6 34.6 26.2 46.4 40 50 A E H < S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.838 122.0 35.6 -48.1 -35.0 31.2 26.5 44.7 41 51 A E H < S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.823 129.9 24.2 -92.4 -33.5 31.7 23.0 43.2 42 52 A F H >< S+ 0 0 7 -4,-2.9 3,-1.0 -5,-0.2 -3,-0.2 0.427 88.8 93.6-116.7 2.4 33.6 21.0 45.9 43 53 A D T 3< S+ 0 0 86 -4,-2.5 -1,-0.1 1,-0.2 -3,-0.1 0.768 91.4 49.8 -65.3 -24.4 32.8 22.6 49.3 44 54 A A T 3 S+ 0 0 97 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.524 91.2 94.6 -92.6 -6.7 30.0 20.1 49.8 45 55 A K < - 0 0 22 -3,-1.0 2,-0.2 2,-0.0 -3,-0.0 -0.664 69.8-134.5 -88.5 140.5 32.0 17.0 49.0 46 56 A D >> - 0 0 79 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.526 30.5-101.6 -88.0 160.9 33.5 15.0 51.8 47 57 A N H 3> S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.752 121.8 58.6 -53.6 -28.7 37.1 13.7 51.6 48 58 A Q H 3> S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 109.1 44.9 -67.3 -44.9 36.0 10.2 50.7 49 59 A E H <> S+ 0 0 86 -3,-0.6 4,-2.5 1,-0.2 3,-0.4 0.956 114.8 46.9 -61.0 -53.9 34.2 11.6 47.6 50 60 A L H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 5,-0.4 0.771 106.5 60.0 -60.3 -28.5 37.1 13.8 46.6 51 61 A E H < S+ 0 0 68 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.919 111.2 39.5 -66.2 -43.3 39.5 10.9 47.1 52 62 A S H < S+ 0 0 94 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.893 113.6 52.8 -72.4 -44.0 37.7 8.9 44.5 53 63 A L H < S- 0 0 92 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.845 84.7-166.4 -61.2 -34.6 37.1 11.8 42.1 54 64 A N < - 0 0 101 -4,-1.8 2,-0.5 -5,-0.2 -3,-0.1 0.885 11.3-169.6 46.0 52.4 40.8 12.5 42.2 55 65 A I - 0 0 41 -5,-0.4 62,-2.2 62,-0.1 2,-0.5 -0.599 10.5-158.6 -78.7 116.8 40.4 15.9 40.6 56 66 A E E +A 116 0A 96 -2,-0.5 2,-0.3 60,-0.2 60,-0.2 -0.816 19.1 174.0 -95.7 132.2 43.6 17.7 39.6 57 67 A V E -A 115 0A 0 58,-2.8 58,-2.3 -2,-0.5 2,-0.4 -0.816 25.0-137.2-131.2 170.5 43.4 21.5 39.2 58 68 A S E +A 114 0A 12 -2,-0.3 -26,-2.0 56,-0.2 -25,-1.3 -1.000 27.0 168.1-132.4 129.7 45.7 24.4 38.5 59 69 A V E -A 113 0A 0 54,-3.1 54,-2.7 -2,-0.4 2,-0.3 -0.873 12.7-167.2-136.0 168.0 45.4 27.8 40.3 60 70 A A E +A 112 0A 13 -27,-0.3 2,-0.3 -2,-0.3 52,-0.2 -0.985 26.3 111.1-155.6 148.8 47.5 30.9 40.6 61 71 A G E -A 111 0A 10 50,-2.7 50,-3.3 -2,-0.3 2,-0.4 -0.988 60.8 -41.0 171.7-169.7 47.4 33.9 42.9 62 72 A R E -AB 110 78A 68 16,-2.9 16,-2.5 -2,-0.3 2,-1.0 -0.679 49.1-123.3 -87.2 132.4 49.1 35.8 45.7 63 73 A M E + B 0 77A 0 46,-2.7 45,-3.0 -2,-0.4 14,-0.2 -0.655 38.9 169.2 -75.2 105.7 50.6 34.0 48.7 64 74 A M E + 0 0 16 12,-2.5 2,-0.3 -2,-1.0 -1,-0.2 0.892 61.3 6.8 -85.5 -47.9 48.7 35.6 51.5 65 75 A T E - B 0 76A 59 11,-1.0 11,-2.4 42,-0.0 2,-0.3 -0.945 60.8-172.9-136.6 158.4 49.7 33.3 54.4 66 76 A R E - B 0 75A 60 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.930 10.5-170.3-156.7 127.9 52.1 30.5 55.0 67 77 A R E - B 0 74A 50 7,-2.8 7,-1.5 -2,-0.3 2,-0.5 -0.911 14.5-162.6-120.7 99.8 52.8 28.0 57.8 68 78 A I E + B 0 73A 68 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.734 10.9 178.5 -84.1 125.0 55.9 26.0 57.2 69 79 A M E > - B 0 72A 107 3,-3.0 3,-0.6 -2,-0.5 2,-0.5 -0.527 54.9 -83.6-126.0 64.9 56.0 22.9 59.4 70 80 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.2 -2,-0.2 20,-0.0 -0.631 113.7 6.4 78.3-121.8 59.2 21.2 58.4 71 81 A K T 3 S+ 0 0 120 -2,-0.5 19,-2.8 -3,-0.1 20,-0.4 0.382 133.2 46.6 -78.6 3.5 58.8 19.0 55.3 72 82 A A E < -BC 69 89A 8 -3,-0.6 -3,-3.0 17,-0.2 2,-0.3 -0.990 63.4-177.9-145.1 152.6 55.2 20.2 54.8 73 83 A S E -BC 68 88A 0 15,-2.3 15,-1.4 -2,-0.3 2,-0.4 -0.915 21.1-133.6-144.4 170.0 53.4 23.6 54.8 74 84 A F E -BC 67 87A 59 -7,-1.5 -7,-2.8 -2,-0.3 2,-0.4 -0.996 24.8-172.8-129.0 130.8 50.0 25.2 54.4 75 85 A V E -BC 66 86A 1 11,-2.3 11,-2.9 -2,-0.4 2,-0.6 -0.950 18.4-144.6-128.1 146.2 49.6 28.2 52.1 76 86 A T E -BC 65 85A 28 -11,-2.4 -12,-2.5 -2,-0.4 -11,-1.0 -0.956 19.1-162.3-109.5 123.3 46.6 30.5 51.5 77 87 A L E -BC 63 84A 2 7,-2.9 7,-2.0 -2,-0.6 2,-0.5 -0.902 2.1-157.2-107.4 133.0 46.4 31.7 47.9 78 88 A Q E +BC 62 83A 15 -16,-2.5 -16,-2.9 -2,-0.5 5,-0.2 -0.952 23.2 157.6-112.2 124.0 44.3 34.7 47.0 79 89 A D E > - 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