==== 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 2AJI . 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) . 16721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 61.4 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 . 60 16.5 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 . 41 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 19.6 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 2 1 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 2 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 2 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 0 120 0, 0.0 2,-0.2 0, 0.0 185,-0.2 0.000 360.0 360.0 360.0 120.8 53.8 -11.4 -27.3 2 229 A G E -A 185 0A 0 183,-1.5 183,-2.5 20,-0.1 2,-0.3 -0.803 360.0-110.8-150.6-171.2 51.1 -8.8 -26.9 3 230 A V E -AB 184 20A 0 17,-2.7 17,-2.4 181,-0.2 2,-0.5 -0.996 10.5-141.8-136.8 139.0 49.1 -6.2 -28.9 4 231 A E E -AB 183 19A 62 179,-2.8 179,-2.0 -2,-0.3 2,-0.4 -0.903 24.5-164.0 -96.3 129.5 49.0 -2.4 -28.9 5 232 A I E -AB 182 18A 0 13,-3.0 13,-3.4 -2,-0.5 2,-0.6 -0.951 6.3-151.1-121.4 135.8 45.5 -1.1 -29.4 6 233 A T E - B 0 17A 42 175,-2.4 2,-0.3 -2,-0.4 11,-0.2 -0.926 11.1-167.1-115.8 118.9 44.6 2.5 -30.3 7 234 A F E - B 0 16A 1 9,-3.3 9,-2.8 -2,-0.6 2,-0.4 -0.712 18.0-131.0 -98.8 149.6 41.3 4.0 -29.3 8 235 A N E -CB 83 15A 114 75,-0.7 75,-2.5 -2,-0.3 2,-0.4 -0.806 22.4-151.9 -90.9 143.4 39.7 7.2 -30.6 9 236 A V E > -C 82 0A 8 5,-0.6 3,-1.0 -2,-0.4 73,-0.2 -0.985 19.1-114.3-122.4 127.2 38.5 9.6 -27.8 10 237 A N T 3 S+ 0 0 65 71,-2.4 71,-0.4 -2,-0.4 3,-0.1 -0.402 96.8 6.4 -65.8 128.2 35.5 12.0 -28.3 11 238 A D T 3 S+ 0 0 157 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.839 105.5 113.2 66.8 41.8 36.5 15.7 -28.1 12 239 A Y < - 0 0 38 -3,-1.0 -3,-0.3 2,-0.1 -1,-0.2 -0.989 60.0-149.6-146.5 128.1 40.2 15.0 -27.9 13 240 A D S S+ 0 0 178 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.734 81.6 56.8 -74.6 -25.7 42.8 15.7 -30.6 14 241 A N S S- 0 0 107 1,-0.1 -5,-0.6 -6,-0.0 2,-0.2 -0.353 82.4-119.2 -91.6 178.1 45.1 12.8 -29.7 15 242 A T E -B 8 0A 57 -7,-0.1 2,-0.5 -2,-0.1 -7,-0.2 -0.677 21.6-120.0-105.0 169.4 44.3 9.0 -29.7 16 243 A L E -B 7 0A 0 -9,-2.8 -9,-3.3 -2,-0.2 2,-0.4 -0.951 26.7-163.5-106.6 134.0 44.5 6.7 -26.7 17 244 A T E -B 6 0A 36 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.968 7.7-177.6-122.6 132.9 46.9 3.8 -27.0 18 245 A V E -B 5 0A 0 -13,-3.4 -13,-3.0 -2,-0.4 2,-0.4 -0.858 15.9-145.6-121.5 154.1 46.9 0.7 -24.7 19 246 A Y E +B 4 0A 91 88,-0.8 90,-0.4 -2,-0.3 2,-0.3 -0.970 24.6 169.4-115.2 138.7 49.0 -2.4 -24.5 20 247 A T E -B 3 0A 2 -17,-2.4 -17,-2.7 -2,-0.4 -2,-0.0 -0.997 35.9-160.7-148.2 147.8 47.6 -5.8 -23.5 21 248 A T S S+ 0 0 70 344,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.233 93.4 63.9-103.9 8.7 48.7 -9.5 -23.5 22 249 A R > + 0 0 25 -19,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.368 49.5 147.6-128.9 54.4 45.0 -10.5 -23.4 23 250 A P G > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.765 68.5 74.6 -58.9 -22.9 43.5 -9.3 -26.7 24 251 A D G 3 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.780 95.8 48.4 -61.8 -27.1 41.2 -12.4 -26.4 25 252 A T G X S+ 0 0 0 -3,-2.1 3,-3.4 1,-0.2 -1,-0.3 0.487 79.1 111.6 -86.7 -2.2 39.3 -10.5 -23.6 26 253 A F G X + 0 0 0 -3,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.706 68.0 60.7 -52.0 -32.9 39.0 -7.3 -25.7 27 254 A M G 3 S+ 0 0 16 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.549 101.2 57.1 -70.4 -8.0 35.2 -7.6 -26.2 28 255 A G G < S+ 0 0 0 -3,-3.4 2,-0.6 129,-0.1 102,-0.5 0.263 73.5 124.0-105.1 9.4 34.9 -7.4 -22.4 29 256 A C < + 0 0 6 -3,-1.5 82,-0.2 82,-0.2 3,-0.1 -0.638 28.8 169.7 -72.8 116.2 36.7 -4.1 -22.1 30 257 A T + 0 0 14 80,-1.3 98,-0.3 -2,-0.6 2,-0.3 0.422 60.5 0.8-112.0 -4.5 34.3 -1.8 -20.3 31 258 A Y E -D 110 0A 0 79,-0.8 79,-2.1 60,-0.2 2,-0.3 -0.966 63.2-121.2-168.2 167.7 36.5 1.2 -19.6 32 259 A L E -De 109 93A 0 60,-2.5 62,-3.3 -2,-0.3 2,-0.5 -0.917 16.8-154.0-118.1 148.8 40.0 2.6 -20.0 33 260 A A E -De 108 94A 0 75,-2.2 75,-2.8 -2,-0.3 2,-0.3 -0.984 11.6-169.6-126.4 121.5 42.4 3.6 -17.2 34 261 A V E -De 107 95A 0 60,-2.8 62,-2.5 -2,-0.5 73,-0.3 -0.717 29.9-101.4-108.0 157.4 45.1 6.2 -17.8 35 262 A A E > - e 0 96A 2 71,-2.9 3,-2.6 -2,-0.3 6,-0.3 -0.534 33.5-115.3 -76.8 146.2 48.0 7.2 -15.5 36 263 A A T 3 S+ 0 0 11 60,-0.6 -1,-0.1 63,-0.5 64,-0.1 0.728 116.9 52.8 -54.9 -24.9 47.5 10.4 -13.6 37 264 A G T 3 S+ 0 0 44 4,-0.1 -1,-0.3 69,-0.1 63,-0.0 0.223 82.9 122.1 -96.0 15.2 50.4 12.0 -15.5 38 265 A H S X> S- 0 0 20 -3,-2.6 4,-1.6 68,-0.1 3,-0.8 -0.558 71.9-121.9 -79.7 139.9 49.0 11.1 -18.9 39 266 A P H 3> S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.815 114.4 51.7 -46.4 -41.9 48.3 14.0 -21.4 40 267 A L H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.863 106.3 57.2 -62.4 -38.0 44.6 13.0 -21.6 41 268 A A H <> S+ 0 0 0 -3,-0.8 4,-0.9 -6,-0.3 -1,-0.2 0.911 111.8 38.2 -64.1 -45.0 44.5 13.1 -17.9 42 269 A Q H X S+ 0 0 103 -4,-1.6 4,-1.4 2,-0.2 3,-0.3 0.889 107.7 62.1 -75.1 -40.7 45.7 16.7 -17.6 43 270 A K H < S+ 0 0 36 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.812 111.7 42.3 -50.6 -29.7 43.8 18.0 -20.6 44 271 A A H >< S+ 0 0 11 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.706 102.4 65.3 -90.3 -23.9 40.7 17.0 -18.5 45 272 A A H >< S+ 0 0 21 -4,-0.9 3,-1.8 -3,-0.3 7,-0.2 0.741 85.5 78.7 -66.8 -23.4 42.0 18.4 -15.2 46 273 A E T 3< S+ 0 0 164 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.9 25.0 -51.8 -42.7 41.8 21.8 -17.0 47 274 A N T < S+ 0 0 99 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 -0.218 118.2 73.5-116.3 41.1 38.0 21.8 -16.3 48 275 A N <> - 0 0 39 -3,-1.8 4,-1.2 1,-0.1 -1,-0.1 -0.739 46.0-179.2-159.8 102.0 38.1 19.5 -13.3 49 276 A P H > S+ 0 0 106 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.843 87.0 61.4 -73.5 -34.4 39.3 20.4 -9.8 50 277 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.888 106.9 46.9 -55.7 -43.3 38.6 16.8 -8.4 51 278 A L H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.836 107.2 57.4 -65.3 -36.7 41.1 15.5 -10.9 52 279 A A H X S+ 0 0 37 -4,-1.2 4,-1.5 -7,-0.2 -2,-0.2 0.888 108.9 45.4 -64.5 -38.3 43.6 18.3 -10.0 53 280 A A H X S+ 0 0 48 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.927 115.0 48.0 -68.6 -46.1 43.5 17.1 -6.4 54 281 A F H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.936 110.6 49.7 -58.7 -52.0 43.8 13.4 -7.4 55 282 A I H X S+ 0 0 34 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.857 114.0 47.5 -57.9 -36.3 46.8 14.1 -9.8 56 283 A D H X S+ 0 0 107 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.931 110.2 50.2 -69.4 -48.9 48.5 16.0 -7.1 57 284 A E H >X S+ 0 0 109 -4,-2.9 4,-1.6 1,-0.2 3,-0.7 0.886 113.5 48.8 -51.3 -43.3 47.9 13.3 -4.5 58 285 A C H 3< S+ 0 0 24 -4,-2.6 5,-0.2 1,-0.2 -2,-0.2 0.908 99.6 62.4 -67.5 -44.8 49.3 10.9 -7.0 59 286 A R H 3< S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.654 109.0 47.9 -55.9 -16.0 52.4 12.9 -7.8 60 287 A N H << S+ 0 0 139 -3,-0.7 2,-1.1 -4,-0.7 -1,-0.2 0.886 97.0 70.2 -88.6 -52.1 53.2 12.3 -4.1 61 288 A T < - 0 0 89 -4,-1.6 2,-2.0 1,-0.1 -1,-0.1 -0.589 68.7-157.1 -74.7 100.0 52.7 8.6 -3.8 62 289 A K - 0 0 102 -2,-1.1 2,-0.2 -3,-0.1 -1,-0.1 -0.622 22.8-157.6 -74.2 85.1 55.5 7.0 -5.7 63 290 A V - 0 0 30 -2,-2.0 2,-0.5 -5,-0.2 5,-0.1 -0.499 2.4-143.1 -72.1 134.8 53.4 3.8 -6.2 64 291 A A > - 0 0 44 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.857 13.4-133.0-104.2 131.0 55.5 0.6 -6.9 65 292 A E G > S+ 0 0 118 -2,-0.5 3,-0.8 1,-0.3 4,-0.2 0.811 109.7 50.7 -46.1 -35.5 54.2 -2.0 -9.3 66 293 A A G 3 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.619 105.9 53.5 -82.8 -17.5 55.1 -4.6 -6.7 67 294 A E G X> S+ 0 0 120 -3,-2.0 4,-1.4 1,-0.1 3,-0.8 0.224 85.0 97.0 -95.5 11.5 53.2 -2.9 -3.8 68 295 A M T <4 S+ 0 0 7 -3,-0.8 -1,-0.1 -4,-0.3 -2,-0.1 0.850 70.6 56.9 -82.6 -37.0 50.0 -2.7 -5.8 69 296 A A T 34 S+ 0 0 116 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.522 115.6 46.4 -67.8 0.1 48.0 -5.7 -4.6 70 297 A T T <4 S+ 0 0 124 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.731 95.6 83.5-109.4 -36.0 48.5 -4.0 -1.2 71 298 A M S < S- 0 0 37 -4,-1.4 2,-0.5 1,-0.1 27,-0.0 -0.362 86.7-104.3 -74.1 149.8 47.7 -0.3 -1.9 72 299 A E - 0 0 114 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.628 38.2-127.4 -75.4 123.6 44.1 1.1 -2.0 73 300 A K + 0 0 19 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.1 -0.572 34.2 177.2 -77.0 135.2 43.1 1.6 -5.6 74 301 A K + 0 0 92 -2,-0.3 23,-2.8 2,-0.0 24,-0.3 -0.988 6.4 152.4-141.8 145.2 41.8 5.1 -6.3 75 302 A G E - F 0 96A 6 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.985 25.5-139.9-169.7 165.7 40.7 6.8 -9.5 76 303 A V E - F 0 95A 12 19,-2.0 19,-2.6 -2,-0.3 2,-0.3 -0.992 30.6-105.6-141.9 138.8 38.5 9.5 -10.9 77 304 A D E - F 0 94A 58 -2,-0.4 17,-0.2 17,-0.2 -26,-0.1 -0.490 23.2-156.8 -65.7 125.8 36.3 9.8 -14.0 78 305 A T E - 0 0 6 15,-2.0 -1,-0.2 -2,-0.3 16,-0.1 0.645 30.5-125.9 -79.8 -15.9 38.0 12.0 -16.6 79 306 A G E S+ 0 0 52 14,-0.5 2,-0.1 1,-0.4 -1,-0.1 -0.009 73.6 118.6 94.2 -30.0 34.8 12.8 -18.4 80 307 A F E - 0 0 31 13,-0.2 13,-2.1 -40,-0.1 2,-0.5 -0.397 53.0-149.1 -69.6 144.3 36.2 11.6 -21.7 81 308 A K E - F 0 92A 70 -71,-0.4 -71,-2.4 11,-0.2 2,-0.3 -0.976 6.6-154.3-119.7 125.5 34.6 8.7 -23.6 82 309 A A E -CF 9 91A 0 9,-3.2 9,-3.0 -2,-0.5 2,-0.6 -0.691 16.1-125.1 -95.4 149.3 36.6 6.3 -25.8 83 310 A V E -CF 8 90A 43 -75,-2.5 -75,-0.7 -2,-0.3 7,-0.2 -0.866 17.6-131.0-100.3 117.9 35.1 4.4 -28.7 84 311 A H > - 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