==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 11-JUL-13 4LNE . COMPND 2 MOLECULE: METHIONINE-TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1478 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1054 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 0.1 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 . 43 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 596 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 56 3.8 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 4 5 3 3 7 3 5 6 3 0 0 3 3 0 3 3 0 1 8 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 5 6 3 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 . 6 11 4 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 7 2 0 0 3 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 3 A R 0 0 264 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -8.7 6.1 30.7 21.5 2 4 A E - 0 0 124 37,-0.2 39,-3.1 1,-0.1 2,-0.2 -0.285 360.0-119.4 -71.6 141.4 8.9 30.2 19.0 3 5 A K E -a 41 0A 82 37,-0.2 2,-0.4 247,-0.1 39,-0.2 -0.559 26.7-174.4 -86.0 143.0 10.2 26.8 18.1 4 6 A Y E -a 42 0A 27 37,-2.8 39,-2.7 -2,-0.2 2,-0.5 -0.967 3.1-171.0-140.4 119.0 13.8 25.7 18.8 5 7 A Y E +a 43 0A 0 -2,-0.4 250,-2.2 248,-0.3 251,-1.5 -0.950 11.2 171.4-116.8 120.1 15.2 22.4 17.6 6 8 A I E -ab 44 256A 0 37,-2.4 39,-2.1 -2,-0.5 2,-0.3 -0.969 6.9-172.8-132.4 143.9 18.7 21.4 18.8 7 9 A T E -ab 45 257A 0 249,-1.9 251,-2.1 -2,-0.4 2,-0.3 -0.882 17.8-142.0-132.4 158.0 20.5 18.1 18.5 8 10 A T E - b 0 258A 2 37,-1.9 2,-0.2 -2,-0.3 251,-0.2 -0.828 41.8 -96.2-106.4 160.5 23.6 16.2 19.5 9 11 A A - 0 0 13 249,-0.8 38,-0.3 -2,-0.3 2,-0.2 -0.555 48.1-108.5 -65.1 139.2 25.5 13.9 17.2 10 12 A I - 0 0 21 -2,-0.2 38,-0.3 36,-0.1 2,-0.2 -0.523 38.1-121.8 -71.5 141.5 24.4 10.3 17.9 11 13 A A B -c 48 0A 14 36,-2.8 38,-3.6 -2,-0.2 -1,-0.1 -0.485 10.0-122.3 -89.0 153.7 27.0 8.3 19.7 12 14 A Y > - 0 0 87 36,-0.2 2,-1.2 -2,-0.2 3,-0.7 -0.842 19.6-161.2 -96.9 105.7 28.7 5.1 18.5 13 15 A P T 3 + 0 0 0 0, 0.0 60,-0.1 0, 0.0 -1,-0.1 -0.219 55.3 116.1 -83.7 45.9 28.0 2.4 21.2 14 16 A N T 3 S+ 0 0 41 -2,-1.2 2,-0.1 2,-0.1 36,-0.0 0.797 89.2 7.7 -81.2 -31.2 30.8 0.0 20.1 15 17 A G S < S- 0 0 45 -3,-0.7 3,-0.1 1,-0.2 0, 0.0 -0.306 106.7 -54.3-120.6-148.1 32.6 0.6 23.4 16 18 A K - 0 0 48 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.481 64.3 -82.3 -90.8 163.1 31.7 2.4 26.7 17 19 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 283,-0.2 -0.456 52.1-164.0 -61.9 136.3 30.6 6.0 27.1 18 20 A H > - 0 0 99 280,-0.2 4,-1.8 -2,-0.1 3,-0.3 -0.654 35.1 -96.6-118.8 175.8 33.6 8.4 27.1 19 21 A I H > S+ 0 0 15 278,-0.6 4,-3.0 1,-0.2 5,-0.2 0.815 120.3 59.9 -64.8 -32.3 34.3 12.0 28.2 20 22 A G H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 106.3 47.4 -60.9 -44.5 33.8 13.3 24.6 21 23 A H H > S+ 0 0 52 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.922 114.5 46.0 -58.9 -48.2 30.3 11.9 24.6 22 24 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.889 109.7 55.2 -65.6 -40.7 29.5 13.4 28.0 23 25 A Y H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.916 109.9 45.6 -56.7 -46.7 31.0 16.8 27.0 24 26 A E H X S+ 0 0 22 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.881 113.5 48.9 -68.2 -39.8 28.8 17.0 23.9 25 27 A L H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.923 113.3 47.0 -65.8 -45.0 25.6 16.0 25.8 26 28 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.931 113.3 47.5 -62.0 -49.8 26.3 18.5 28.6 27 29 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.924 116.3 43.6 -58.3 -48.6 27.1 21.4 26.3 28 30 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.846 110.9 55.7 -67.8 -36.1 24.0 20.7 24.2 29 31 A D H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.923 107.0 49.8 -59.4 -45.7 21.8 20.2 27.3 30 32 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.871 110.9 49.3 -63.3 -38.2 22.8 23.6 28.6 31 33 A M H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.917 112.1 48.7 -66.5 -44.0 22.0 25.3 25.3 32 34 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.933 113.4 45.9 -59.4 -49.7 18.6 23.5 25.3 33 35 A R H X S+ 0 0 52 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.877 107.5 59.2 -62.9 -38.3 17.8 24.5 28.8 34 36 A F H X S+ 0 0 1 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.918 106.0 47.3 -56.9 -47.1 18.9 28.1 28.2 35 37 A Q H <>S+ 0 0 8 -4,-1.8 5,-3.0 2,-0.2 -1,-0.2 0.796 107.7 56.1 -67.9 -29.2 16.3 28.5 25.4 36 38 A R H ><5S+ 0 0 61 -4,-1.4 3,-1.4 1,-0.2 -1,-0.2 0.936 111.0 43.4 -65.4 -45.8 13.5 27.0 27.5 37 39 A L H 3<5S+ 0 0 22 -4,-2.1 435,-2.3 1,-0.3 436,-0.5 0.725 107.3 62.2 -70.6 -22.0 14.2 29.6 30.2 38 40 A N T 3<5S- 0 0 38 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.364 126.8 -99.9 -85.8 4.5 14.4 32.2 27.4 39 41 A G T < 5S+ 0 0 41 -3,-1.4 -37,-0.2 1,-0.3 2,-0.2 0.559 76.4 137.9 94.4 11.5 10.8 31.5 26.5 40 42 A M < - 0 0 48 -5,-3.0 2,-0.9 -6,-0.1 -1,-0.3 -0.580 59.5-120.5 -91.8 150.6 11.3 29.1 23.5 41 43 A D E -a 3 0A 56 -39,-3.1 -37,-2.8 -2,-0.2 2,-0.4 -0.814 46.0-162.9 -82.6 105.5 9.5 25.9 22.7 42 44 A V E -a 4 0A 8 -2,-0.9 2,-0.4 -39,-0.2 -37,-0.2 -0.755 26.1-174.1-105.9 137.3 12.4 23.5 22.7 43 45 A Y E -a 5 0A 28 -39,-2.7 -37,-2.4 -2,-0.4 2,-0.5 -0.995 14.3-171.5-123.1 124.0 12.9 20.0 21.2 44 46 A F E -a 6 0A 0 -2,-0.4 45,-1.8 43,-0.2 46,-1.0 -0.963 4.2-169.6-127.0 118.5 16.3 18.5 22.2 45 47 A L E +ad 7 90A 0 -39,-2.1 -37,-1.9 -2,-0.5 2,-0.3 -0.841 15.5 155.5-115.2 141.1 17.5 15.2 20.6 46 48 A T E + d 0 91A 12 44,-0.8 46,-2.3 -2,-0.4 2,-0.3 -0.921 15.3 135.8-144.2 174.7 20.3 12.7 21.2 47 49 A G E - d 0 92A 1 -38,-0.3 -36,-2.8 -2,-0.3 2,-0.4 -0.982 40.7 -65.1 174.4-160.5 20.8 9.1 20.5 48 50 A T E -cd 11 93A 0 44,-2.4 46,-1.7 -38,-0.3 2,-0.8 -0.952 18.5-145.7-130.1 141.9 22.9 6.1 19.3 49 51 A D + 0 0 26 -38,-3.6 44,-0.1 -2,-0.4 182,-0.1 -0.878 32.0 163.8-104.9 101.8 24.4 5.0 15.9 50 52 A E + 0 0 0 -2,-0.8 -1,-0.1 -38,-0.1 20,-0.1 0.505 34.1 90.4-108.5 -7.5 24.1 1.2 16.0 51 53 A H + 0 0 21 4,-0.1 163,-0.2 176,-0.1 3,-0.1 -0.273 49.1 78.7 -86.6 173.9 24.6 -0.2 12.5 52 54 A G S > S- 0 0 16 161,-2.2 4,-1.7 1,-0.1 3,-0.2 -0.305 80.4 -77.3 116.2 168.7 27.7 -1.3 10.6 53 55 A I H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.831 120.7 58.3 -73.5 -34.3 30.2 -4.2 10.3 54 56 A K H > S+ 0 0 43 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.844 108.6 48.4 -64.3 -33.6 32.2 -3.4 13.4 55 57 A M H > S+ 0 0 0 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.916 110.4 50.5 -69.6 -45.7 29.0 -3.8 15.4 56 58 A L H X S+ 0 0 17 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.892 111.0 48.3 -59.3 -43.6 28.1 -7.1 13.7 57 59 A Q H X S+ 0 0 100 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.855 110.1 51.8 -68.6 -35.5 31.6 -8.6 14.3 58 60 A S H X S+ 0 0 49 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.828 110.9 48.4 -68.1 -32.5 31.5 -7.5 18.0 59 61 A A H >X>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 4,-0.8 0.924 111.9 49.0 -70.4 -47.1 28.1 -9.3 18.3 60 62 A R H ><5S+ 0 0 169 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.908 107.7 56.2 -53.2 -47.0 29.6 -12.3 16.6 61 63 A K H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.752 112.1 41.4 -59.2 -27.3 32.5 -12.1 19.1 62 64 A E H <<5S- 0 0 137 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.471 113.1-114.6-103.0 -4.6 30.1 -12.3 22.1 63 65 A G T <<5S+ 0 0 27 -3,-0.9 749,-0.4 -4,-0.8 2,-0.3 0.801 78.8 106.7 77.0 30.2 27.8 -14.9 20.6 64 66 A I S - 0 0 34 747,-0.3 4,-2.5 -2,-0.3 5,-0.2 -0.394 34.8-117.0 -73.1 153.4 22.7 -11.0 17.6 66 68 A P H > S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.871 116.2 51.3 -55.0 -42.8 23.6 -7.4 16.5 67 69 A R H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.895 111.6 48.1 -63.3 -41.2 20.2 -6.1 17.7 68 70 A D H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 111.4 49.7 -64.4 -44.0 20.7 -7.7 21.0 69 71 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.917 109.3 51.9 -60.9 -45.9 24.3 -6.2 21.3 70 72 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.906 107.7 52.3 -57.6 -45.0 23.0 -2.8 20.4 71 73 A D H X S+ 0 0 47 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.881 111.2 47.8 -58.3 -40.3 20.3 -3.0 23.1 72 74 A R H < S+ 0 0 57 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.933 116.5 39.7 -68.3 -48.4 23.0 -3.9 25.7 73 75 A N H >X S+ 0 0 38 -4,-2.4 3,-1.0 1,-0.2 4,-0.8 0.848 110.3 55.7 -74.3 -36.5 25.5 -1.2 24.9 74 76 A T H 3X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.3 3,-0.3 0.802 94.2 72.6 -67.3 -26.7 23.1 1.7 24.3 75 77 A S H 3X S+ 0 0 66 -4,-0.9 4,-1.5 -5,-0.3 -1,-0.3 0.831 96.1 50.2 -55.1 -35.0 21.8 1.0 27.8 76 78 A A H <> S+ 0 0 21 -3,-1.0 4,-1.9 -4,-0.4 -1,-0.2 0.822 110.7 47.6 -75.0 -32.7 25.0 2.5 29.1 77 79 A F H X S+ 0 0 3 -4,-0.8 4,-1.9 -3,-0.3 -2,-0.2 0.840 111.6 51.3 -74.4 -34.5 24.7 5.6 26.9 78 80 A R H X S+ 0 0 116 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.840 109.8 50.5 -65.1 -35.3 21.1 5.9 28.1 79 81 A R H X S+ 0 0 130 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.893 107.1 54.4 -68.3 -39.4 22.4 5.6 31.6 80 82 A M H X S+ 0 0 10 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.894 103.7 54.1 -62.1 -43.7 24.9 8.4 31.0 81 83 A A H <>S+ 0 0 7 -4,-1.9 5,-2.2 1,-0.2 -1,-0.2 0.902 111.1 47.3 -55.4 -43.2 22.3 10.8 29.7 82 84 A E H ><5S+ 0 0 76 -4,-1.3 3,-1.4 1,-0.2 -2,-0.2 0.901 109.9 50.9 -65.7 -44.1 20.4 10.3 33.0 83 85 A V H 3<5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.8 53.0 -66.2 -30.0 23.4 10.7 35.2 84 86 A L T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.387 113.4-118.2 -87.1 4.0 24.3 14.0 33.5 85 87 A N T < 5 - 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