==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-AUG-05 2AJH . COMPND 2 MOLECULE: LEUCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.LIU,J.LIAO,B.ZHU,E.D.WANG,J.DING . 363 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 2 0 1 2 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 228 A E 0 0 117 0, 0.0 2,-0.2 0, 0.0 185,-0.2 0.000 360.0 360.0 360.0 116.1 53.2 -11.2 -27.4 2 229 A G E -A 185 0A 0 183,-0.9 183,-2.2 181,-0.1 2,-0.3 -0.756 360.0-100.7-151.1-160.2 50.3 -8.8 -27.0 3 230 A V E -AB 184 20A 0 17,-3.2 17,-2.3 181,-0.2 2,-0.4 -0.984 9.7-138.0-138.0 141.7 48.6 -5.9 -28.9 4 231 A E E -AB 183 19A 62 179,-2.5 179,-2.4 -2,-0.3 2,-0.4 -0.866 27.6-163.6 -92.2 139.9 48.5 -2.1 -28.8 5 232 A I E -AB 182 18A 0 13,-3.0 13,-3.0 -2,-0.4 2,-0.5 -0.995 5.8-151.9-132.5 130.9 45.0 -0.8 -29.3 6 233 A T E - B 0 17A 45 175,-2.7 2,-0.4 -2,-0.4 11,-0.2 -0.872 10.2-170.6-112.7 125.5 44.0 2.7 -30.3 7 234 A F E - B 0 16A 1 9,-3.1 9,-2.5 -2,-0.5 2,-0.3 -0.868 18.4-134.0-108.8 144.5 40.8 4.3 -29.3 8 235 A N E -CB 83 15A 112 75,-0.5 75,-2.1 -2,-0.4 2,-0.4 -0.715 20.4-148.7 -86.6 154.8 39.4 7.6 -30.5 9 236 A V E > -C 82 0A 8 5,-0.6 3,-1.0 3,-0.4 73,-0.2 -0.991 16.9-117.7-130.7 119.1 38.0 9.9 -27.9 10 237 A N T 3 S+ 0 0 58 71,-1.4 71,-0.4 -2,-0.4 3,-0.1 -0.293 96.1 8.3 -53.3 133.2 35.1 12.3 -28.5 11 238 A D T 3 S+ 0 0 158 1,-0.1 2,-0.3 69,-0.1 -1,-0.2 0.824 106.4 104.7 62.9 38.2 36.0 16.0 -28.0 12 239 A Y < - 0 0 36 -3,-1.0 -3,-0.4 2,-0.2 -1,-0.1 -0.950 64.0-145.7-152.5 122.1 39.7 15.3 -27.7 13 240 A D S S+ 0 0 175 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.677 81.1 55.4 -70.1 -24.2 42.3 16.0 -30.5 14 241 A N S S- 0 0 110 1,-0.1 -5,-0.6 -5,-0.0 2,-0.2 -0.243 81.4-120.4 -91.1-175.6 44.6 13.0 -29.7 15 242 A T E -B 8 0A 53 -7,-0.1 2,-0.4 -2,-0.1 -7,-0.2 -0.663 19.0-120.4-113.5 177.3 43.8 9.3 -29.5 16 243 A L E -B 7 0A 1 -9,-2.5 -9,-3.1 -2,-0.2 2,-0.4 -0.987 24.7-162.4-117.6 137.0 44.3 6.9 -26.5 17 244 A T E -B 6 0A 35 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.963 6.6-173.2-123.7 137.2 46.5 3.9 -26.9 18 245 A V E -B 5 0A 0 -13,-3.0 -13,-3.0 -2,-0.4 2,-0.4 -0.926 14.8-145.5-127.4 148.0 46.6 0.8 -24.8 19 246 A Y E +B 4 0A 88 88,-0.8 90,-0.4 -2,-0.3 2,-0.3 -0.925 26.1 165.4-105.7 138.2 48.7 -2.3 -24.5 20 247 A T E -B 3 0A 3 -17,-2.3 -17,-3.2 -2,-0.4 -2,-0.0 -0.988 36.7-157.5-146.3 157.0 47.2 -5.7 -23.5 21 248 A T S S+ 0 0 73 344,-0.8 3,-0.1 -2,-0.3 -17,-0.1 0.170 92.5 64.2-109.3 8.5 48.3 -9.3 -23.6 22 249 A R > + 0 0 27 -19,-0.1 3,-1.5 343,-0.1 4,-0.3 -0.460 47.4 151.0-133.0 61.8 44.6 -10.4 -23.6 23 250 A P G > + 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.753 69.3 76.1 -56.4 -23.2 43.0 -9.1 -26.8 24 251 A D G 3 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.1 -2,-0.0 0.787 95.5 45.6 -64.4 -27.8 40.7 -12.1 -26.4 25 252 A T G X S+ 0 0 0 -3,-1.5 3,-3.8 1,-0.2 -1,-0.3 0.512 79.9 110.6 -89.3 -1.6 38.7 -10.3 -23.6 26 253 A F G X + 0 0 0 -3,-1.4 3,-1.1 -4,-0.3 -1,-0.2 0.646 68.8 61.0 -51.4 -22.9 38.5 -7.1 -25.6 27 254 A M G 3 S+ 0 0 15 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.633 100.5 58.1 -77.8 -14.9 34.8 -7.4 -26.1 28 255 A G G < S+ 0 0 0 -3,-3.8 2,-0.5 129,-0.1 102,-0.5 0.349 74.5 124.0 -93.0 2.6 34.5 -7.3 -22.4 29 256 A C < + 0 0 5 -3,-1.1 82,-0.2 -4,-0.2 3,-0.1 -0.542 27.7 167.1 -68.2 114.0 36.2 -3.9 -22.2 30 257 A T + 0 0 13 80,-1.4 98,-0.3 -2,-0.5 2,-0.3 0.425 60.3 1.6-111.7 -2.0 33.8 -1.6 -20.3 31 258 A Y E -D 110 0A 0 79,-0.8 79,-2.1 60,-0.2 2,-0.4 -0.953 64.3-120.3-170.7 165.2 36.0 1.4 -19.5 32 259 A L E -De 109 93A 0 60,-2.9 62,-3.5 -2,-0.3 2,-0.4 -0.901 17.8-153.3-116.1 146.6 39.5 2.8 -19.9 33 260 A A E -De 108 94A 0 75,-2.3 75,-2.3 -2,-0.4 2,-0.3 -0.987 11.9-171.1-123.5 127.0 41.9 3.7 -17.2 34 261 A V E -De 107 95A 0 60,-2.9 62,-2.2 -2,-0.4 73,-0.2 -0.837 28.9-102.4-116.1 148.7 44.7 6.4 -17.6 35 262 A A E > - e 0 96A 2 71,-3.0 3,-2.2 -2,-0.3 6,-0.3 -0.371 30.5-118.2 -62.5 146.5 47.6 7.4 -15.4 36 263 A A T 3 S+ 0 0 13 60,-0.5 -1,-0.1 63,-0.5 64,-0.1 0.851 117.6 53.3 -50.8 -38.3 47.2 10.6 -13.3 37 264 A G T 3 S+ 0 0 44 4,-0.1 -1,-0.3 21,-0.1 -2,-0.1 0.284 85.8 120.0 -81.7 11.0 50.2 12.0 -15.3 38 265 A H S X> S- 0 0 16 -3,-2.2 4,-1.8 68,-0.1 3,-0.6 -0.595 71.9-124.2 -86.1 138.4 48.5 11.2 -18.7 39 266 A P H 3> S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.753 111.0 51.3 -45.3 -38.2 47.8 14.0 -21.1 40 267 A L H 3> S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.884 108.1 52.6 -71.1 -40.3 44.0 13.2 -21.3 41 268 A A H <> S+ 0 0 0 -3,-0.6 4,-1.6 -6,-0.3 -1,-0.2 0.873 114.2 42.6 -63.3 -36.1 43.8 13.2 -17.6 42 269 A Q H X S+ 0 0 105 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.829 106.9 58.2 -85.0 -30.0 45.3 16.7 -17.5 43 270 A K H < S+ 0 0 35 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.847 114.3 42.0 -57.1 -30.9 43.3 18.1 -20.4 44 271 A A H >< S+ 0 0 11 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.817 101.0 68.3 -86.9 -33.9 40.3 17.2 -18.3 45 272 A A H >< S+ 0 0 23 -4,-1.6 3,-1.8 1,-0.3 7,-0.3 0.801 85.9 75.5 -48.9 -33.7 41.9 18.4 -15.1 46 273 A E T 3< S+ 0 0 169 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.795 108.6 25.6 -51.5 -39.0 41.5 21.9 -16.7 47 274 A N T < S+ 0 0 97 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 -0.031 116.5 72.6-118.1 32.1 37.8 22.0 -16.0 48 275 A N <> - 0 0 41 -3,-1.8 4,-1.7 1,-0.1 -1,-0.1 -0.783 46.4-177.7-153.0 100.4 37.7 19.6 -13.0 49 276 A P H > S+ 0 0 105 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.845 88.4 60.4 -70.1 -36.6 39.0 20.4 -9.4 50 277 A E H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.951 111.0 42.6 -49.7 -51.1 38.2 16.9 -8.1 51 278 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.824 110.2 56.1 -66.1 -33.6 40.6 15.6 -10.8 52 279 A A H X S+ 0 0 37 -4,-1.7 4,-1.7 -7,-0.3 -2,-0.2 0.939 112.3 43.3 -62.3 -42.7 43.1 18.5 -10.0 53 280 A A H X S+ 0 0 49 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.960 113.9 49.9 -65.9 -51.8 43.1 17.3 -6.4 54 281 A F H X S+ 0 0 15 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.850 109.0 52.7 -51.4 -43.1 43.3 13.6 -7.3 55 282 A I H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.893 111.7 45.3 -66.8 -38.0 46.2 14.3 -9.7 56 283 A D H X S+ 0 0 108 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.889 109.7 54.5 -70.9 -40.7 48.2 16.1 -6.9 57 284 A E H X S+ 0 0 110 -4,-2.9 4,-1.4 1,-0.2 3,-0.5 0.877 111.7 46.1 -56.0 -40.5 47.4 13.4 -4.4 58 285 A C H < S+ 0 0 20 -4,-1.9 5,-0.3 1,-0.2 -2,-0.2 0.861 100.7 64.5 -71.6 -42.0 48.8 10.8 -6.8 59 286 A R H < S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.666 108.2 46.2 -54.5 -19.2 52.0 12.9 -7.6 60 287 A N H < S+ 0 0 137 -4,-0.7 2,-0.9 -3,-0.5 -1,-0.2 0.868 97.0 73.6 -89.5 -48.5 52.8 12.4 -3.9 61 288 A T S < S- 0 0 90 -4,-1.4 2,-2.0 1,-0.1 -1,-0.1 -0.588 72.5-150.7 -73.4 104.9 52.1 8.6 -3.6 62 289 A K - 0 0 101 -2,-0.9 2,-0.4 -3,-0.0 -1,-0.1 -0.557 20.5-159.7 -77.6 83.8 55.0 6.9 -5.3 63 290 A V - 0 0 28 -2,-2.0 2,-0.4 -5,-0.3 5,-0.1 -0.541 2.8-158.0 -72.6 119.0 52.9 3.8 -6.3 64 291 A A > - 0 0 48 -2,-0.4 3,-1.6 1,-0.1 4,-0.1 -0.828 20.8-127.4-102.8 137.6 55.0 0.8 -7.1 65 292 A E G > S+ 0 0 111 -2,-0.4 3,-1.3 1,-0.3 4,-0.3 0.839 109.0 51.1 -50.4 -44.6 53.7 -2.0 -9.2 66 293 A A G 3 S+ 0 0 94 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.700 106.1 56.8 -68.3 -21.4 54.6 -4.8 -6.7 67 294 A E G X> S+ 0 0 121 -3,-1.6 4,-0.9 1,-0.2 3,-0.6 0.246 85.1 90.5 -88.3 11.0 52.8 -2.8 -3.9 68 295 A M T <4 + 0 0 10 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.790 69.7 62.6 -91.7 -30.4 49.5 -2.7 -5.8 69 296 A A T 34 S+ 0 0 115 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.495 113.9 45.5 -64.9 0.4 47.6 -5.8 -4.7 70 297 A T T <4 S+ 0 0 119 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.716 93.6 87.0-112.8 -36.4 47.9 -3.9 -1.3 71 298 A M S < S- 0 0 37 -4,-0.9 2,-0.4 1,-0.1 27,-0.0 -0.311 84.5-103.1 -76.7 151.4 47.0 -0.3 -1.9 72 299 A E - 0 0 112 1,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.602 41.6-128.6 -67.1 124.0 43.5 1.2 -1.9 73 300 A K - 0 0 17 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.0 -0.604 34.4-179.8 -79.3 139.6 42.6 1.6 -5.5 74 301 A K + 0 0 92 -2,-0.3 23,-2.8 2,-0.0 24,-0.4 -0.978 8.5 148.2-142.3 148.5 41.4 5.1 -6.3 75 302 A G E - F 0 96A 6 -2,-0.3 2,-0.3 21,-0.3 21,-0.2 -0.990 26.8-135.6-170.0 173.4 40.2 7.0 -9.3 76 303 A V E - F 0 95A 8 19,-2.2 19,-2.9 -2,-0.3 2,-0.4 -0.995 30.7-109.2-142.8 142.6 38.0 9.7 -10.9 77 304 A D E - F 0 94A 55 -2,-0.3 17,-0.2 17,-0.2 -26,-0.1 -0.592 23.0-157.8 -70.2 124.5 35.8 9.9 -14.0 78 305 A T E - 0 0 10 15,-2.1 -1,-0.2 -2,-0.4 16,-0.1 0.730 30.0-127.4 -77.7 -24.4 37.6 12.2 -16.5 79 306 A G E S+ 0 0 47 14,-0.6 -1,-0.1 1,-0.4 15,-0.1 -0.133 72.2 119.0 102.2 -35.0 34.3 12.9 -18.3 80 307 A F E - 0 0 36 13,-0.2 13,-2.0 -40,-0.1 -1,-0.4 -0.312 53.7-147.3 -62.9 143.3 35.8 11.9 -21.6 81 308 A K E - F 0 92A 75 -71,-0.4 -71,-1.4 11,-0.2 2,-0.3 -0.945 6.3-155.4-112.0 133.9 34.2 9.0 -23.5 82 309 A A E -CF 9 91A 0 9,-3.1 9,-3.1 -2,-0.4 2,-0.5 -0.812 17.3-125.6-103.4 152.6 36.2 6.6 -25.7 83 310 A V E -CF 8 90A 44 -75,-2.1 -75,-0.5 -2,-0.3 7,-0.2 -0.886 17.7-129.7 -99.5 122.9 34.6 4.7 -28.6 84 311 A H > - 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