==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 12-APR-13 4K48 . COMPND 2 MOLECULE: LEUCINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Q.H.HU,R.J.LIU,Z.P.FANG,J.ZHANG,Y.Y.DING,M.TAN,M.WANG,W.PAN, . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 T 0 0 154 0, 0.0 182,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 50.5 6.2 -25.5 12.4 2 229 A G E -A 182 0A 9 180,-1.9 180,-0.7 20,-0.1 2,-0.3 -0.213 360.0-103.2-124.4-147.4 7.7 -24.6 9.0 3 230 A A E -AB 181 20A 2 17,-1.7 17,-3.1 178,-0.3 2,-0.5 -0.993 11.8-133.1-151.7 142.8 7.4 -25.4 5.2 4 231 A N E -AB 180 19A 24 176,-3.2 176,-1.4 -2,-0.3 2,-0.4 -0.858 26.8-168.6 -91.9 127.2 9.2 -27.3 2.5 5 232 A V E -AB 179 18A 0 13,-3.0 13,-2.8 -2,-0.5 2,-0.4 -0.975 9.1-145.8-120.9 132.2 9.7 -25.3 -0.6 6 233 A T E - B 0 17A 27 172,-2.6 2,-0.5 -2,-0.4 11,-0.2 -0.793 10.5-166.7-101.7 134.7 10.9 -26.8 -3.9 7 234 A F E - B 0 16A 0 9,-2.9 9,-1.8 -2,-0.4 2,-0.2 -0.976 13.2-141.5-119.2 126.1 13.1 -25.1 -6.4 8 235 A K E -CB 85 15A 120 77,-0.5 77,-2.3 -2,-0.5 2,-0.7 -0.584 21.6-123.5 -76.4 145.6 13.7 -26.2 -9.9 9 236 A V E > -C 84 0A 3 5,-2.5 3,-1.5 75,-0.2 5,-0.3 -0.858 38.0-110.2 -89.7 117.9 17.3 -25.9 -11.3 10 237 A K T 3 S+ 0 0 100 73,-2.5 73,-0.3 -2,-0.7 3,-0.1 -0.154 95.8 11.5 -54.9 136.1 17.0 -23.7 -14.4 11 238 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 71,-0.1 -1,-0.3 0.668 116.9 80.5 71.7 18.3 17.7 -25.5 -17.7 12 239 A T S < S- 0 0 63 -3,-1.5 -1,-0.2 2,-0.2 -3,-0.1 -0.881 83.8-113.7-144.6-175.5 17.6 -28.9 -16.2 13 240 A D S S+ 0 0 138 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 0.238 81.3 109.8 -99.0 6.1 15.5 -31.9 -14.9 14 241 A K + 0 0 71 -5,-0.3 -5,-2.5 29,-0.0 2,-0.3 -0.497 39.9 174.5 -98.0 158.1 16.7 -31.3 -11.3 15 242 A E E -B 8 0A 110 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.963 8.8-165.4-149.6 158.5 15.1 -30.0 -8.1 16 243 A F E -B 7 0A 8 -9,-1.8 -9,-2.9 -2,-0.3 2,-0.4 -0.984 15.2-133.4-148.1 157.2 15.9 -29.5 -4.5 17 244 A T E -B 6 0A 46 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.893 12.9-164.6-111.2 136.5 13.9 -28.8 -1.4 18 245 A V E -B 5 0A 1 -13,-2.8 -13,-3.0 -2,-0.4 2,-0.6 -0.962 15.0-139.2-114.0 141.5 14.6 -26.2 1.3 19 246 A F E +B 4 0A 75 90,-0.6 2,-0.4 -2,-0.4 -15,-0.2 -0.878 29.1 179.7 -95.1 125.7 13.0 -26.2 4.7 20 247 A T E -B 3 0A 20 -17,-3.1 -17,-1.7 -2,-0.6 -2,-0.0 -0.988 36.4-159.3-133.6 138.3 12.0 -22.7 5.9 21 248 A T S S+ 0 0 79 -2,-0.4 3,-0.1 -19,-0.2 -1,-0.1 0.688 98.1 47.3 -72.4 -22.3 10.4 -21.3 9.0 22 249 A R > + 0 0 42 1,-0.1 3,-2.2 -19,-0.1 -1,-0.2 -0.550 53.6 156.8-129.8 64.5 9.5 -18.2 6.9 23 250 A P G > S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.752 73.6 73.6 -58.6 -21.4 8.0 -19.1 3.5 24 251 A D G 3 S+ 0 0 0 1,-0.3 3,-0.3 -3,-0.1 -2,-0.0 0.572 86.8 60.8 -70.3 -8.3 6.5 -15.6 3.6 25 252 A T G X + 0 0 8 -3,-2.2 3,-2.8 1,-0.2 4,-0.4 0.396 70.0 114.9 -99.5 4.3 9.9 -14.1 2.9 26 253 A L G X + 0 0 0 -3,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.760 68.6 57.8 -40.2 -41.5 10.1 -15.9 -0.4 27 254 A F G 3 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.653 103.4 55.7 -73.3 -12.0 10.0 -12.7 -2.5 28 255 A G G < S+ 0 0 0 -3,-2.8 2,-0.6 126,-0.1 104,-0.5 0.456 76.9 115.0 -93.9 -4.4 13.1 -11.6 -0.7 29 256 A A < + 0 0 7 -3,-1.4 84,-0.2 -4,-0.4 3,-0.1 -0.564 33.8 167.9 -67.0 110.9 15.1 -14.8 -1.6 30 257 A T + 0 0 17 82,-1.6 2,-0.3 -2,-0.6 -1,-0.2 0.596 62.8 0.1-107.1 -13.8 17.8 -13.4 -3.9 31 258 A F E -D 112 0A 0 81,-0.9 81,-2.3 62,-0.2 2,-0.4 -0.962 66.0-125.7-157.3 170.3 20.0 -16.5 -4.0 32 259 A T E -De 111 95A 0 62,-2.5 64,-2.6 -2,-0.3 2,-0.4 -0.949 16.8-153.4-123.1 149.7 20.1 -20.1 -2.8 33 260 A V E -De 110 96A 0 77,-2.6 77,-2.8 -2,-0.4 2,-0.4 -0.982 6.3-167.3-126.2 125.1 23.0 -21.7 -0.8 34 261 A L E -De 109 97A 0 62,-2.9 64,-1.5 -2,-0.4 75,-0.2 -0.865 32.7-107.4-106.4 146.6 23.7 -25.4 -0.8 35 262 A A > - 0 0 0 73,-2.6 3,-2.3 -2,-0.4 6,-0.2 -0.455 34.9-114.8 -62.6 143.9 26.1 -27.1 1.7 36 263 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.820 117.9 53.6 -49.5 -29.4 29.2 -28.0 -0.2 37 264 A E T 3 S+ 0 0 73 4,-0.1 65,-0.0 23,-0.1 -2,-0.0 0.441 76.8 128.7 -88.5 -5.8 28.2 -31.6 0.6 38 265 A H X - 0 0 32 -3,-2.3 3,-1.0 70,-0.2 4,-0.4 -0.209 65.4-124.5 -55.0 143.3 24.7 -31.5 -0.8 39 266 A E T 3 S+ 0 0 192 1,-0.2 4,-0.5 2,-0.1 3,-0.4 0.830 104.9 56.6 -59.6 -35.4 24.0 -34.3 -3.3 40 267 A L T >> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.1 3,-0.6 0.737 82.5 88.7 -72.0 -24.8 22.9 -32.1 -6.1 41 268 A V H <> S+ 0 0 0 -3,-1.0 4,-1.1 1,-0.3 3,-0.5 0.857 87.4 43.9 -48.9 -56.3 26.1 -30.1 -6.3 42 269 A D H 34 S+ 0 0 115 -4,-0.4 3,-0.3 -3,-0.4 -1,-0.3 0.875 113.0 54.6 -60.5 -34.9 28.2 -32.2 -8.7 43 270 A A H <4 S+ 0 0 63 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.847 114.9 36.0 -66.6 -36.8 25.2 -32.6 -11.0 44 271 A I H < S+ 0 0 13 -4,-1.7 2,-0.2 -3,-0.5 -1,-0.2 0.470 85.9 116.5-102.2 -1.9 24.4 -28.9 -11.5 45 272 A T < - 0 0 26 -4,-1.1 36,-0.2 -3,-0.3 35,-0.1 -0.486 65.1-125.7 -71.3 131.0 27.9 -27.5 -11.5 46 273 A S >> - 0 0 26 34,-2.3 4,-1.4 -2,-0.2 3,-0.7 -0.400 21.4-113.9 -74.0 155.7 28.8 -25.8 -14.8 47 274 A S T 34 S+ 0 0 101 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.810 117.1 54.0 -63.3 -28.2 32.0 -27.0 -16.5 48 275 A E T 34 S+ 0 0 148 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.816 114.3 39.7 -70.9 -31.7 33.5 -23.5 -15.9 49 276 A Q T <> S+ 0 0 47 -3,-0.7 4,-2.5 31,-0.3 3,-0.5 0.622 89.6 97.1 -93.1 -11.5 32.8 -23.6 -12.2 50 277 A A H X S+ 0 0 45 -4,-1.4 4,-1.6 1,-0.3 -1,-0.2 0.774 84.0 44.5 -52.0 -43.9 33.7 -27.3 -11.7 51 278 A E H > S+ 0 0 150 -4,-0.4 4,-2.2 -3,-0.2 -1,-0.3 0.864 114.3 47.7 -74.0 -38.4 37.3 -26.8 -10.5 52 279 A A H > S+ 0 0 41 -3,-0.5 4,-1.8 -4,-0.3 -2,-0.2 0.860 112.3 52.3 -69.6 -33.9 36.5 -23.9 -8.1 53 280 A V H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.862 110.1 47.6 -69.7 -34.2 33.6 -26.0 -6.7 54 281 A A H X S+ 0 0 54 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.905 111.6 49.0 -74.5 -39.7 35.9 -29.0 -6.2 55 282 A D H X S+ 0 0 84 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.863 112.7 50.0 -62.9 -34.8 38.6 -26.9 -4.4 56 283 A Y H X S+ 0 0 14 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.901 108.2 50.6 -75.4 -38.2 35.9 -25.4 -2.3 57 284 A K H X S+ 0 0 51 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.885 111.3 50.4 -62.4 -39.4 34.4 -28.7 -1.3 58 285 A H H X S+ 0 0 115 -4,-2.0 4,-0.6 1,-0.2 3,-0.2 0.949 111.6 47.3 -62.1 -49.1 37.8 -29.9 -0.3 59 286 A Q H < S+ 0 0 109 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.825 111.9 49.8 -62.2 -34.7 38.5 -26.9 1.8 60 287 A A H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.777 103.1 59.6 -78.1 -27.3 35.1 -27.1 3.5 61 288 A S H 3< S+ 0 0 76 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.642 97.6 62.9 -75.6 -13.6 35.6 -30.7 4.4 62 289 A L T 3< S+ 0 0 123 -4,-0.6 2,-0.4 -3,-0.4 -1,-0.3 0.249 94.8 78.0 -90.0 10.8 38.7 -29.7 6.3 63 290 A K S < S- 0 0 77 -3,-1.4 2,-0.1 36,-0.0 -3,-0.0 -0.976 77.4-127.1-127.8 136.9 36.6 -27.6 8.7 64 291 A S > - 0 0 64 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.333 29.2-109.3 -74.7 158.4 34.5 -28.8 11.6 65 292 A D H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.893 118.7 54.9 -48.3 -45.7 30.8 -27.8 12.0 66 293 A L H 4 S+ 0 0 142 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.870 110.4 44.0 -63.3 -39.7 31.7 -25.5 14.9 67 294 A V H >4 S+ 0 0 51 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.888 113.0 53.2 -67.5 -40.8 34.2 -23.6 12.9 68 295 A R H 3< S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.782 111.1 44.7 -68.3 -31.0 31.9 -23.4 9.8 69 296 A T T 3< S+ 0 0 49 -4,-2.0 2,-0.8 -5,-0.2 -1,-0.3 0.184 79.8 124.4-102.5 16.3 29.0 -22.0 11.8 70 297 A D X - 0 0 64 -3,-1.1 3,-1.5 1,-0.2 -3,-0.0 -0.716 52.0-154.4 -77.8 107.8 31.1 -19.4 13.7 71 298 A L T 3 S+ 0 0 90 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.720 89.2 60.7 -52.3 -32.4 29.4 -16.1 12.9 72 299 A A T 3 S+ 0 0 91 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.703 84.8 94.9 -75.5 -22.5 32.6 -14.1 13.4 73 300 A K S < S- 0 0 115 -3,-1.5 3,-0.1 -6,-0.2 -5,-0.0 -0.381 89.3 -94.5 -69.3 146.4 34.5 -15.9 10.6 74 301 A E - 0 0 143 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.317 44.4-107.6 -55.1 139.6 34.7 -14.4 7.2 75 302 A K - 0 0 12 47,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.542 42.4-175.0 -74.8 142.1 32.0 -15.7 4.8 76 303 A T + 0 0 46 -2,-0.2 24,-0.4 -3,-0.1 23,-0.3 -0.929 16.1 118.3-142.1 147.1 33.3 -17.9 2.1 77 304 A G - 0 0 17 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.952 37.4-125.5 166.7 175.4 31.8 -19.6 -1.0 78 305 A V E - F 0 97A 19 19,-2.0 19,-2.3 -2,-0.3 2,-0.3 -0.998 27.6-110.3-150.5 143.9 31.7 -20.2 -4.7 79 306 A W E - F 0 96A 68 -2,-0.3 17,-0.2 17,-0.2 -26,-0.1 -0.579 18.4-147.9 -76.5 135.8 29.0 -20.0 -7.5 80 307 A T E - 0 0 0 15,-2.8 -34,-2.3 -2,-0.3 -31,-0.3 0.777 38.7-113.5 -73.2 -25.1 28.0 -23.4 -8.9 81 308 A G E S+ 0 0 16 1,-0.4 2,-0.2 14,-0.4 -34,-0.1 0.343 85.2 102.8 102.3 -1.4 27.3 -22.0 -12.4 82 309 A A E - F 0 95A 9 13,-0.5 13,-2.7 -36,-0.1 -1,-0.4 -0.691 57.6-145.6-116.0 164.7 23.6 -22.8 -11.9 83 310 A Y E - F 0 94A 90 -73,-0.3 -73,-2.5 11,-0.3 2,-0.3 -0.964 7.6-144.0-129.6 145.1 20.4 -20.9 -11.1 84 311 A A E -CF 9 93A 0 9,-3.6 9,-2.7 -2,-0.3 2,-0.6 -0.788 19.4-124.6-104.5 152.3 17.3 -21.8 -9.2 85 312 A I E -CF 8 92A 42 -77,-2.3 -77,-0.5 -2,-0.3 7,-0.2 -0.868 15.5-131.9-100.2 122.0 13.8 -20.7 -10.0 86 313 A N >> - 0 0 3 5,-2.9 4,-2.7 -2,-0.6 3,-1.1 -0.605 15.8-147.7 -66.7 117.4 11.7 -18.9 -7.5 87 314 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 91,-0.1 0.639 91.3 56.8 -68.0 -13.9 8.4 -20.8 -7.6 88 315 A V T 34 S+ 0 0 22 -62,-0.1 -61,-0.1 3,-0.1 -2,-0.0 0.644 130.7 2.1 -92.0 -17.7 6.4 -17.6 -6.7 89 316 A N T <4 S- 0 0 65 -3,-1.1 -1,-0.1 2,-0.1 -3,-0.0 0.311 91.1-116.6-150.9 2.9 7.5 -15.4 -9.6 90 317 A G < + 0 0 43 -4,-2.7 2,-0.0 1,-0.2 0, 0.0 0.517 58.5 156.2 71.0 4.0 9.9 -17.4 -11.7 91 318 A K - 0 0 147 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.3 -0.330 44.1-115.8 -63.4 145.0 12.9 -15.2 -11.0 92 319 A E E - F 0 85A 99 -7,-0.2 -7,-0.2 -9,-0.1 -1,-0.1 -0.671 28.8-168.9 -86.5 136.7 16.3 -16.7 -11.3 93 320 A M E - F 0 84A 2 -9,-2.7 -9,-3.6 -2,-0.3 -62,-0.2 -0.988 24.2-119.3-128.2 122.6 18.5 -17.1 -8.3 94 321 A P E - F 0 83A 32 0, 0.0 -62,-2.5 0, 0.0 2,-0.7 -0.263 23.5-133.5 -60.2 144.2 22.1 -18.1 -8.4 95 322 A I E +eF 32 82A 0 -13,-2.7 -15,-2.8 -64,-0.2 -13,-0.5 -0.912 30.7 176.5-102.4 114.0 23.0 -21.3 -6.6 96 323 A W E -eF 33 79A 32 -64,-2.6 -62,-2.9 -2,-0.7 2,-0.4 -0.730 23.5-138.9-105.6 159.2 26.1 -20.9 -4.4 97 324 A I E +eF 34 78A 0 -19,-2.3 -19,-2.0 -2,-0.3 2,-0.3 -0.961 28.6 175.6-114.3 145.1 27.8 -23.4 -2.1 98 325 A A > - 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