==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-OCT-09 3KFL . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR E.T.LARSON,E.A.MERRITT,MEDICAL STRUCTURAL GENOMICS OF PATHOG . 530 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 14 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.6 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 1 1 2 2 2 2 0 1 0 0 0 1 1 0 1 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 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 PARALLEL BRIDGES PER LADDER . 2 3 3 0 1 0 0 0 0 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 3 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 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 1 207 A K 0 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.6 10.6 29.9 15.2 2 208 A Q - 0 0 139 1,-0.1 40,-0.1 3,-0.0 3,-0.1 -0.233 360.0-105.2 -60.9 146.1 13.5 32.3 14.6 3 209 A K - 0 0 57 1,-0.1 2,-0.2 266,-0.0 266,-0.2 -0.362 43.2 -98.5 -63.4 149.2 14.3 33.4 11.1 4 210 A V - 0 0 8 264,-3.2 2,-0.5 263,-0.1 39,-0.2 -0.563 41.2-108.1 -65.3 134.7 17.4 31.8 9.6 5 211 A F E -a 43 0A 12 37,-2.6 39,-3.0 -2,-0.2 2,-0.5 -0.581 45.5-168.9 -65.2 117.7 20.4 34.1 9.9 6 212 A F E +a 44 0A 0 -2,-0.5 267,-2.7 265,-0.3 268,-1.6 -0.940 14.1 164.2-122.8 118.4 21.0 35.2 6.3 7 213 A A E -ab 45 274A 0 37,-1.6 39,-1.7 -2,-0.5 2,-0.3 -0.984 11.4-167.2-136.5 152.7 24.0 37.2 5.0 8 214 A T E -ab 46 275A 0 266,-1.9 268,-3.1 -2,-0.3 39,-0.2 -0.951 14.1-147.2-138.1 148.8 25.4 37.9 1.6 9 215 A T E - 0 0 0 37,-1.6 268,-0.1 -2,-0.3 17,-0.1 -0.653 46.4 -87.7 -98.0 166.0 28.5 39.2 -0.1 10 216 A P E - 0 0 11 0, 0.0 38,-0.6 0, 0.0 2,-0.6 -0.384 42.7-112.4 -62.2 156.3 28.3 41.1 -3.4 11 217 A I E -a 48 0A 13 36,-0.2 38,-0.3 38,-0.1 2,-0.2 -0.862 40.4-129.3 -90.2 124.9 28.3 39.0 -6.5 12 218 A Y E -a 49 0A 14 36,-2.4 38,-3.0 -2,-0.6 2,-0.2 -0.522 10.7-114.6 -85.5 137.7 31.6 39.8 -8.2 13 219 A Y E -a 50 0A 25 -2,-0.2 3,-0.4 36,-0.2 38,-0.2 -0.510 21.6-140.3 -64.2 140.2 32.0 40.8 -11.8 14 220 A V + 0 0 0 36,-1.1 60,-0.2 1,-0.2 -1,-0.1 -0.147 67.9 115.6 -99.6 38.0 34.0 38.1 -13.7 15 221 A N S S- 0 0 25 1,-0.1 2,-0.3 59,-0.1 -1,-0.2 0.626 87.0 -7.0 -78.6 -16.8 36.0 40.5 -15.8 16 222 A A S S- 0 0 34 -3,-0.4 -1,-0.1 58,-0.0 303,-0.1 -0.955 93.7 -55.2-167.8 176.0 39.3 39.4 -14.1 17 223 A S - 0 0 63 -2,-0.3 -2,-0.1 1,-0.1 58,-0.1 -0.127 59.9 -94.7 -65.1 152.6 40.8 37.3 -11.2 18 224 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.343 44.9-174.1 -64.3 146.4 39.8 37.6 -7.6 19 225 A H >> - 0 0 4 307,-0.1 4,-1.9 308,-0.1 3,-0.7 -0.672 45.4 -74.1-129.7-171.6 41.9 39.9 -5.4 20 226 A I H 3> S+ 0 0 1 305,-0.4 4,-2.3 1,-0.2 5,-0.1 0.769 123.6 62.5 -60.8 -28.3 42.2 40.8 -1.7 21 227 A G H 3> S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 107.1 41.7 -62.9 -42.6 39.0 43.0 -1.9 22 228 A H H <> S+ 0 0 16 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.886 114.4 51.5 -74.2 -37.5 36.8 40.1 -2.8 23 229 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.875 111.1 51.8 -61.0 -37.8 38.5 37.8 -0.2 24 230 A Y H X S+ 0 0 5 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.963 111.5 41.8 -64.8 -56.8 37.9 40.6 2.3 25 231 A S H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.895 116.9 50.0 -59.6 -39.3 34.1 41.1 1.7 26 232 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.906 108.6 53.0 -67.5 -38.0 33.7 37.3 1.6 27 233 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.900 105.0 54.6 -58.9 -43.8 35.6 36.9 4.8 28 234 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.960 112.5 43.2 -57.8 -47.8 33.3 39.4 6.6 29 235 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.891 112.5 52.6 -66.3 -40.1 30.3 37.4 5.6 30 236 A D H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.890 109.2 50.6 -62.6 -39.0 32.0 34.1 6.5 31 237 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.912 112.1 46.0 -64.9 -45.4 32.9 35.4 10.0 32 238 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.962 113.6 49.1 -63.9 -50.0 29.3 36.5 10.6 33 239 A G H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.944 113.2 47.7 -50.6 -50.6 27.9 33.2 9.3 34 240 A R H X S+ 0 0 34 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.889 109.2 52.4 -65.0 -40.5 30.4 31.3 11.5 35 241 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.950 110.0 48.7 -61.2 -45.6 29.7 33.3 14.7 36 242 A H H X>S+ 0 0 11 -4,-2.5 5,-2.5 2,-0.2 4,-0.6 0.866 111.8 49.5 -65.5 -31.5 25.9 32.7 14.3 37 243 A R H ><5S+ 0 0 61 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.938 110.8 50.1 -66.0 -45.1 26.6 29.0 13.8 38 244 A V H 3<5S+ 0 0 12 -4,-2.7 461,-2.7 1,-0.3 -2,-0.2 0.869 106.7 55.6 -60.8 -34.8 28.8 29.0 16.9 39 245 A K H 3<5S- 0 0 35 -4,-2.7 461,-0.7 -5,-0.2 -1,-0.3 0.669 123.8-106.3 -71.1 -18.8 25.9 30.8 18.8 40 246 A G T <<5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.6 2,-0.1 0.529 73.5 132.8 107.5 11.9 23.6 27.9 17.8 41 247 A E < - 0 0 48 -5,-2.5 -1,-0.3 1,-0.1 2,-0.3 -0.477 64.4-100.3 -92.3 157.9 21.5 29.5 15.1 42 248 A E - 0 0 105 -39,-0.2 -37,-2.6 -2,-0.1 2,-0.4 -0.610 48.8-166.7 -67.1 136.6 20.4 28.3 11.7 43 249 A V E +a 5 0A 19 -2,-0.3 2,-0.4 -39,-0.2 -37,-0.2 -0.987 24.1 176.4-135.1 138.7 22.6 30.1 9.2 44 250 A F E +a 6 0A 15 -39,-3.0 -37,-1.6 -2,-0.4 2,-0.4 -0.917 12.9 169.8-139.3 115.0 22.6 30.6 5.4 45 251 A V E -a 7 0A 0 -2,-0.4 45,-2.1 -39,-0.2 46,-1.1 -0.942 8.3-176.1-124.0 148.8 25.3 32.7 3.9 46 252 A M E +ac 8 91A 0 -39,-1.7 -37,-1.6 -2,-0.4 2,-0.2 -0.951 14.2 174.2-141.5 158.7 26.0 33.1 0.2 47 253 A T E + c 0 92A 0 44,-1.9 46,-2.2 -2,-0.3 2,-0.3 -0.801 18.9 144.1-145.7-171.7 28.4 34.7 -2.3 48 254 A G E -ac 11 93A 0 -38,-0.6 -36,-2.4 44,-0.3 2,-0.4 -0.996 39.2 -62.5 161.9-169.4 28.8 34.4 -6.1 49 255 A T E -ac 12 94A 0 44,-2.2 46,-1.8 -38,-0.3 2,-0.7 -0.936 21.1-146.2-125.0 137.7 29.5 35.9 -9.5 50 256 A D E +a 13 0A 3 -38,-3.0 -36,-1.1 -2,-0.4 44,-0.0 -0.884 29.5 168.9-101.7 106.0 27.8 38.6 -11.6 51 257 A E + 0 0 0 -2,-0.7 2,-0.1 -38,-0.2 -1,-0.1 0.516 38.5 78.5-110.5 -7.9 28.2 37.3 -15.2 52 258 A H + 0 0 5 184,-0.1 4,-0.4 4,-0.1 171,-0.2 -0.440 60.3 56.0 -96.5 171.7 26.1 39.5 -17.6 53 259 A G S > S- 0 0 1 169,-2.4 4,-2.3 166,-0.2 5,-0.2 -0.137 87.4 -65.0 103.7 172.6 26.5 42.9 -19.1 54 260 A Q H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.855 122.7 57.6 -66.4 -41.1 28.8 45.0 -21.3 55 261 A K H > S+ 0 0 22 73,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.939 114.4 37.8 -56.9 -49.2 31.7 45.1 -18.8 56 262 A V H > S+ 0 0 0 -4,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.919 115.3 53.1 -69.6 -43.0 32.0 41.3 -18.7 57 263 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.887 110.7 47.6 -61.4 -39.6 31.2 40.8 -22.4 58 264 A E H X S+ 0 0 90 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.851 108.8 54.0 -71.9 -34.8 34.0 43.2 -23.3 59 265 A A H X S+ 0 0 20 -4,-1.6 4,-1.0 -5,-0.3 -2,-0.2 0.943 111.9 45.4 -60.9 -46.3 36.4 41.5 -20.9 60 266 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 3,-0.9 0.933 110.7 52.3 -59.9 -52.8 35.6 38.2 -22.7 61 267 A A H ><5S+ 0 0 57 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.891 103.8 59.0 -48.7 -45.0 35.9 39.6 -26.2 62 268 A K H 3<5S+ 0 0 182 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.3 46.3 -57.4 -34.4 39.3 41.1 -25.2 63 269 A Q T <<5S- 0 0 129 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.402 113.3-117.8 -88.5 2.2 40.6 37.5 -24.4 64 270 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.2 0.844 74.4 128.3 63.8 35.2 39.1 36.1 -27.7 65 271 A V < - 0 0 55 -5,-1.8 -1,-0.2 2,-0.0 -2,-0.2 -0.956 67.6-106.7-126.3 137.9 36.8 33.8 -25.7 66 272 A S > - 0 0 54 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.319 35.7-116.8 -57.5 143.1 33.0 33.3 -25.9 67 273 A P H > S+ 0 0 39 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.853 114.3 51.1 -56.9 -33.8 31.3 35.0 -22.9 68 274 A M H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.902 112.8 45.0 -71.2 -39.6 30.0 31.7 -21.6 69 275 A D H > S+ 0 0 111 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.896 117.8 46.1 -63.9 -40.2 33.4 30.0 -21.7 70 276 A F H X S+ 0 0 19 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.946 112.7 46.9 -68.9 -50.4 35.0 33.2 -20.1 71 277 A T H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.849 113.6 49.9 -64.0 -34.4 32.4 33.6 -17.4 72 278 A T H X S+ 0 0 57 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.942 113.7 44.7 -69.0 -48.8 32.6 29.9 -16.5 73 279 A S H X S+ 0 0 71 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.949 118.5 41.9 -56.7 -52.7 36.4 29.9 -16.3 74 280 A V H >X S+ 0 0 5 -4,-2.9 4,-1.4 1,-0.2 3,-0.7 0.892 110.8 56.1 -70.8 -37.5 36.6 33.1 -14.3 75 281 A S H 3X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 3,-0.3 0.901 103.8 56.4 -54.8 -40.6 33.7 32.2 -12.0 76 282 A S H 3X S+ 0 0 73 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.763 99.8 58.7 -63.1 -28.9 35.7 29.0 -11.3 77 283 A E H S+ 0 0 8 -4,-2.4 5,-1.6 2,-0.2 -1,-0.2 0.821 110.0 53.6 -64.8 -34.2 37.1 31.0 -1.7 83 289 A Q H ><5S+ 0 0 119 -4,-1.9 3,-1.8 -5,-0.2 -1,-0.2 0.933 107.3 52.6 -63.5 -44.6 37.7 27.2 -1.1 84 290 A E H 3<5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.767 104.5 56.2 -58.7 -31.5 41.4 28.0 -0.6 85 291 A M T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.361 111.3-123.9 -83.6 4.4 40.5 30.6 2.0 86 292 A N T < 5 + 0 0 64 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.881 48.3 169.2 52.1 46.0 38.6 27.9 4.0 87 293 A Y < - 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