==== 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 01-AUG-05 2AJG . COMPND 2 MOLECULE: LEUCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.LIU,J.LIAO,B.ZHU,E.D.WANG,J.DING . 360 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 40 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 20.3 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 0 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 1 3 0 4 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 2 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 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 0 130 0, 0.0 2,-0.3 0, 0.0 185,-0.2 0.000 360.0 360.0 360.0 149.7 52.7 -11.9 -27.6 2 229 A G E -A 185 0A 0 183,-1.3 183,-2.8 20,-0.1 2,-0.4 -0.913 360.0-119.6-153.6 174.1 50.4 -8.9 -27.2 3 230 A V E -AB 184 20A 0 17,-2.9 17,-2.3 -2,-0.3 2,-0.5 -0.993 9.0-145.0-130.2 129.8 48.5 -6.2 -29.1 4 231 A E E -AB 183 19A 61 179,-2.7 179,-2.1 -2,-0.4 2,-0.4 -0.833 25.2-166.8 -84.0 129.4 48.6 -2.4 -29.0 5 232 A I E -AB 182 18A 0 13,-2.8 13,-2.7 -2,-0.5 2,-0.4 -0.972 8.0-152.2-125.7 133.5 45.1 -1.0 -29.5 6 233 A T E - B 0 17A 38 175,-2.6 2,-0.4 -2,-0.4 11,-0.2 -0.886 9.2-165.8-110.3 134.4 44.3 2.7 -30.3 7 234 A F E - B 0 16A 1 9,-2.9 9,-2.3 -2,-0.4 2,-0.3 -0.917 16.3-133.5-115.6 139.4 41.0 4.3 -29.3 8 235 A N E - B 0 15A 111 75,-0.5 75,-2.2 -2,-0.4 2,-0.4 -0.665 21.4-148.1 -81.2 149.8 39.5 7.6 -30.6 9 236 A V B > -C 82 0B 10 5,-0.6 3,-1.1 3,-0.4 73,-0.3 -0.983 17.9-114.8-123.0 128.9 38.1 9.9 -27.8 10 237 A N T 3 S+ 0 0 57 71,-2.6 71,-0.4 -2,-0.4 3,-0.1 -0.413 96.7 3.2 -61.1 132.3 35.1 12.3 -28.3 11 238 A D T 3 S+ 0 0 157 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.780 106.1 111.2 65.1 33.7 36.0 16.0 -28.1 12 239 A Y < - 0 0 23 -3,-1.1 -3,-0.4 2,-0.1 -1,-0.2 -0.997 64.9-140.1-144.6 132.2 39.7 15.3 -27.6 13 240 A D S S+ 0 0 151 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.0 0.453 81.8 49.4 -75.1 -3.2 42.5 16.1 -30.1 14 241 A N S S- 0 0 105 -5,-0.1 -5,-0.6 26,-0.0 2,-0.2 -0.694 76.1-119.1-128.5 175.7 44.5 12.9 -29.5 15 242 A T E -B 8 0A 52 -2,-0.2 2,-0.4 -7,-0.1 -7,-0.2 -0.660 21.4-124.2-108.2 171.4 44.0 9.2 -29.3 16 243 A L E -B 7 0A 1 -9,-2.3 -9,-2.9 -2,-0.2 2,-0.4 -0.980 20.3-157.5-115.0 133.2 44.6 6.7 -26.4 17 244 A T E -B 6 0A 34 -2,-0.4 2,-0.3 -11,-0.2 90,-0.3 -0.939 10.9-176.7-114.4 136.7 46.8 3.7 -26.9 18 245 A V E -B 5 0A 0 -13,-2.7 -13,-2.8 -2,-0.4 2,-0.4 -0.870 15.7-144.2-127.3 149.6 46.6 0.6 -24.7 19 246 A Y E +B 4 0A 110 88,-0.5 2,-0.3 -2,-0.3 90,-0.3 -0.983 23.7 172.8-116.4 133.8 48.7 -2.7 -24.6 20 247 A T E -B 3 0A 18 -17,-2.3 -17,-2.9 -2,-0.4 -2,-0.0 -1.000 35.0-167.2-141.0 141.5 47.1 -6.1 -23.8 21 248 A T S S+ 0 0 81 -2,-0.3 3,-0.2 -19,-0.2 -1,-0.1 0.324 94.0 62.8 -97.1 2.3 48.1 -9.7 -23.8 22 249 A R > + 0 0 39 -19,-0.1 3,-1.8 1,-0.1 -1,-0.2 -0.401 51.9 146.0-121.1 57.6 44.4 -10.6 -23.5 23 250 A P G > + 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.742 66.5 75.0 -63.5 -18.4 42.9 -9.3 -26.8 24 251 A D G 3 S+ 0 0 0 1,-0.3 3,-0.3 -3,-0.2 -2,-0.1 0.752 94.3 50.8 -64.1 -23.4 40.5 -12.2 -26.7 25 252 A T G X S+ 0 0 7 -3,-1.8 3,-2.1 1,-0.2 -1,-0.3 0.313 77.4 113.0 -91.5 7.9 38.6 -10.4 -23.9 26 253 A F G X + 0 0 0 -3,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.775 67.0 59.8 -58.1 -32.7 38.3 -7.2 -25.9 27 254 A M G 3 S+ 0 0 16 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.684 100.7 59.3 -71.5 -15.2 34.5 -7.2 -26.4 28 255 A G G < S+ 0 0 0 -3,-2.1 2,-0.5 129,-0.1 102,-0.4 0.357 73.1 123.1 -89.7 5.2 34.3 -7.1 -22.6 29 256 A C < + 0 0 0 -3,-1.8 82,-0.2 82,-0.2 3,-0.1 -0.571 28.7 167.0 -69.9 116.5 36.2 -3.8 -22.4 30 257 A T + 0 0 13 80,-1.6 2,-0.3 -2,-0.5 98,-0.2 0.511 58.8 2.9-112.5 -7.8 33.8 -1.4 -20.6 31 258 A Y E -D 110 0B 0 79,-0.8 79,-2.5 60,-0.2 2,-0.3 -0.969 62.1-126.2-164.1 162.7 36.0 1.5 -19.7 32 259 A L E -De 109 93B 0 60,-2.5 62,-3.1 -2,-0.3 2,-0.4 -0.885 17.9-154.2-111.4 150.8 39.5 2.9 -20.1 33 260 A A E -De 108 94B 0 75,-2.3 75,-2.9 -2,-0.3 2,-0.3 -0.994 10.0-169.1-125.2 134.1 41.8 4.0 -17.2 34 261 A V E -De 107 95B 0 60,-3.0 62,-2.3 -2,-0.4 65,-0.2 -0.837 28.1 -99.9-117.5 156.6 44.6 6.5 -17.6 35 262 A A > - 0 0 3 71,-2.6 3,-1.7 -2,-0.3 6,-0.3 -0.356 33.0-113.1 -68.1 154.4 47.4 7.6 -15.2 36 263 A A T 3 S+ 0 0 14 63,-0.5 -1,-0.1 60,-0.5 19,-0.1 0.843 119.9 49.1 -51.7 -36.6 47.1 10.7 -13.1 37 264 A G T 3 S+ 0 0 38 4,-0.1 -1,-0.3 21,-0.1 63,-0.1 0.363 82.7 121.5 -90.4 4.1 49.9 12.2 -15.2 38 265 A H S X> S- 0 0 17 -3,-1.7 4,-2.1 68,-0.2 3,-0.7 -0.440 72.4-120.4 -67.5 140.0 48.5 11.3 -18.6 39 266 A P H 3> S+ 0 0 62 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.827 114.1 54.2 -46.9 -40.8 47.9 14.2 -21.1 40 267 A L H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.854 107.4 50.9 -64.8 -37.8 44.1 13.4 -21.2 41 268 A A H <> S+ 0 0 0 -3,-0.7 4,-1.5 -6,-0.3 -1,-0.2 0.922 112.0 45.7 -65.7 -43.9 43.9 13.6 -17.4 42 269 A Q H X S+ 0 0 114 -4,-2.1 4,-1.0 2,-0.2 3,-0.3 0.935 112.0 52.4 -64.5 -44.0 45.6 17.0 -17.4 43 270 A K H >< S+ 0 0 74 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.908 112.4 45.0 -52.9 -46.0 43.4 18.2 -20.2 44 271 A A H >< S+ 0 0 11 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.740 101.8 67.6 -72.9 -23.2 40.3 17.1 -18.3 45 272 A A H >< S+ 0 0 21 -4,-1.5 3,-1.6 -3,-0.3 7,-0.3 0.785 84.0 73.5 -68.6 -28.4 41.6 18.6 -15.0 46 273 A E T << S+ 0 0 147 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.845 110.4 28.5 -50.6 -40.0 41.2 22.1 -16.5 47 274 A N T < S+ 0 0 157 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 -0.127 116.3 67.3-116.2 36.8 37.4 21.9 -16.1 48 275 A N <> - 0 0 35 -3,-1.6 4,-1.7 1,-0.1 -1,-0.1 -0.777 49.9-174.4-161.9 103.8 37.3 19.5 -13.1 49 276 A P H > S+ 0 0 112 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.802 88.5 58.0 -78.0 -30.7 38.4 20.4 -9.6 50 277 A E H > S+ 0 0 131 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.906 108.7 47.5 -59.6 -44.5 37.9 16.9 -8.1 51 278 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.908 108.4 54.3 -63.8 -44.5 40.3 15.6 -10.8 52 279 A A H X S+ 0 0 35 -4,-1.7 4,-1.9 -7,-0.3 -2,-0.2 0.924 111.6 45.7 -53.0 -46.6 42.8 18.4 -9.9 53 280 A A H X S+ 0 0 49 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.948 112.6 49.9 -62.9 -50.5 42.7 17.2 -6.3 54 281 A F H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.909 109.8 51.6 -50.6 -49.5 43.0 13.5 -7.3 55 282 A I H X S+ 0 0 33 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.880 109.6 48.9 -59.9 -41.3 46.0 14.3 -9.5 56 283 A D H X S+ 0 0 80 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.925 109.9 51.9 -66.6 -43.8 47.8 16.2 -6.7 57 284 A E H X S+ 0 0 108 -4,-2.5 4,-1.8 1,-0.2 3,-0.2 0.893 109.7 49.0 -54.5 -45.4 47.1 13.3 -4.2 58 285 A C H < S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 101.6 64.7 -66.7 -34.9 48.6 10.8 -6.7 59 286 A R H < S+ 0 0 198 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 106.2 43.6 -51.2 -46.8 51.7 13.0 -7.2 60 287 A N H < S+ 0 0 134 -4,-1.4 2,-0.8 -3,-0.2 -2,-0.2 0.942 104.2 70.3 -66.5 -50.7 52.6 12.5 -3.5 61 288 A T < - 0 0 86 -4,-1.8 2,-0.8 1,-0.0 -1,-0.1 -0.593 65.9-163.4 -73.7 107.1 51.9 8.7 -3.5 62 289 A K - 0 0 204 -2,-0.8 2,-0.5 2,-0.0 -3,-0.1 -0.846 14.6-161.9 -84.8 112.0 54.5 6.8 -5.5 63 290 A V - 0 0 30 -2,-0.8 2,-0.4 34,-0.2 5,-0.1 -0.855 5.9-145.6 -96.1 129.6 52.8 3.4 -6.0 64 291 A A > - 0 0 55 -2,-0.5 3,-1.9 1,-0.1 4,-0.4 -0.779 18.7-125.2 -93.1 137.5 55.0 0.5 -7.0 65 292 A E G > S+ 0 0 115 -2,-0.4 3,-1.1 1,-0.3 4,-0.3 0.864 111.1 51.1 -42.4 -45.4 53.6 -2.1 -9.4 66 293 A A G 3 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.632 107.6 51.2 -75.9 -15.2 54.4 -4.9 -6.9 67 294 A E G X S+ 0 0 124 -3,-1.9 3,-0.6 1,-0.1 4,-0.4 0.309 85.5 91.1-100.4 5.8 52.7 -3.2 -3.9 68 295 A M G X + 0 0 11 -3,-1.1 3,-1.4 -4,-0.4 -2,-0.1 0.856 69.5 67.4 -77.0 -37.6 49.4 -2.5 -5.7 69 296 A A G 3 S+ 0 0 108 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.774 110.1 42.7 -47.7 -26.2 47.6 -5.8 -4.7 70 297 A T G < S+ 0 0 122 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.593 98.2 94.6 -97.8 -16.4 47.7 -4.2 -1.2 71 298 A M S < S- 0 0 31 -3,-1.4 2,-0.6 -4,-0.4 27,-0.0 -0.422 81.1-106.3 -87.1 152.5 46.8 -0.6 -2.0 72 299 A E - 0 0 118 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.652 38.1-135.5 -72.9 119.0 43.4 1.2 -2.0 73 300 A K + 0 0 26 -2,-0.6 2,-0.3 24,-0.1 -1,-0.0 -0.605 29.6 179.7 -79.7 137.1 42.4 1.7 -5.6 74 301 A K + 0 0 85 -2,-0.3 23,-2.4 2,-0.0 24,-0.3 -0.995 5.9 163.4-141.0 145.2 41.1 5.2 -6.3 75 302 A G E - F 0 96B 6 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.987 23.4-146.3-156.6 166.5 39.8 6.9 -9.4 76 303 A V E - F 0 95B 10 19,-2.0 19,-3.0 -2,-0.3 2,-0.3 -1.000 30.9-115.4-136.1 132.8 37.8 9.9 -10.9 77 304 A D E - F 0 94B 57 -2,-0.4 17,-0.2 17,-0.2 -26,-0.1 -0.537 19.8-157.5 -61.4 125.7 35.7 9.9 -14.0 78 305 A T E - 0 0 10 15,-2.1 -1,-0.2 -2,-0.3 16,-0.1 0.650 30.0-127.2 -79.1 -15.5 37.4 12.3 -16.5 79 306 A G E S+ 0 0 50 14,-0.4 2,-0.2 1,-0.3 15,-0.1 0.284 70.6 124.8 81.5 -11.4 34.1 12.8 -18.3 80 307 A F E - 0 0 33 13,-0.4 13,-2.0 -40,-0.1 2,-0.5 -0.564 51.1-146.6 -76.0 146.0 35.8 11.9 -21.6 81 308 A K E - F 0 92B 69 -71,-0.4 -71,-2.6 11,-0.2 2,-0.3 -0.976 6.0-158.7-116.3 126.4 34.3 9.1 -23.7 82 309 A A E -CF 9 91B 0 9,-2.8 9,-3.0 -2,-0.5 2,-0.6 -0.665 20.3-126.4 -90.4 153.2 36.3 6.7 -25.8 83 310 A V E - 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