==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-09 3GGL . COMPND 2 MOLECULE: PUTATIVE CHITOBIASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR A.KUZIN,H.NEELY,R.SEETHARAMAN,D.LEE,C.CICCOSANTI,E.L.FOOTE, . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 32.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.6 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 . 24 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.1 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 1 1 0 0 2 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 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 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 1 280 A D 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.4 -7.8 -25.5 -14.2 2 281 A T - 0 0 126 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.050 360.0-173.1 -76.1 173.1 -10.1 -25.3 -11.1 3 282 A Y - 0 0 204 2,-0.0 2,-0.7 0, 0.0 -1,-0.0 -0.947 30.6 -97.7-156.3 170.3 -12.3 -27.9 -9.3 4 283 A T + 0 0 98 -2,-0.3 2,-0.2 123,-0.0 123,-0.0 -0.876 54.2 149.5-106.9 113.5 -14.9 -28.3 -6.6 5 284 A G - 0 0 46 -2,-0.7 -2,-0.0 1,-0.2 0, 0.0 -0.725 45.4 -76.8-133.2 177.8 -13.6 -29.3 -3.2 6 285 A F + 0 0 215 -2,-0.2 2,-0.3 0, 0.0 -1,-0.2 -0.132 47.2 167.6 -74.1 177.3 -14.1 -29.1 0.5 7 286 A C - 0 0 95 2,-0.0 2,-0.3 0, 0.0 121,-0.1 -0.899 36.3-116.8 177.8 142.1 -13.2 -26.0 2.5 8 287 A I - 0 0 151 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.711 34.6-169.2 -87.2 157.6 -13.7 -24.4 5.9 9 288 A I - 0 0 82 -2,-0.3 -2,-0.0 3,-0.0 69,-0.0 -0.975 17.4-136.5-148.4 128.8 -15.6 -21.2 5.7 10 289 A K - 0 0 153 -2,-0.3 2,-0.8 1,-0.1 0, 0.0 -0.040 41.6 -98.2 -63.6-175.2 -16.1 -18.6 8.4 11 290 A E - 0 0 62 146,-0.0 146,-0.1 68,-0.0 -1,-0.1 -0.849 50.3-143.4-107.4 93.3 -19.6 -17.2 8.6 12 291 A G - 0 0 2 -2,-0.8 146,-0.1 144,-0.2 2,-0.1 -0.121 8.1-118.0 -58.2 150.9 -19.0 -14.1 6.6 13 292 A T E -A 157 0A 100 144,-0.6 144,-2.6 1,-0.2 65,-0.1 -0.376 41.4 -83.9 -80.2 166.8 -20.7 -10.8 7.4 14 293 A K E -A 156 0A 104 142,-0.3 2,-0.3 -2,-0.1 142,-0.2 -0.061 39.3-125.1 -66.0 171.9 -23.1 -9.1 5.0 15 294 A I - 0 0 29 140,-0.6 2,-0.6 143,-0.1 140,-0.2 -0.898 23.2-107.0-118.0 148.8 -22.1 -6.7 2.2 16 295 A S - 0 0 81 -2,-0.3 3,-0.5 1,-0.1 4,-0.2 -0.668 23.3-161.4 -73.4 118.2 -23.2 -3.2 1.5 17 296 A K + 0 0 25 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.184 60.8 110.1 -84.9 17.2 -25.5 -3.4 -1.5 18 297 A S S S+ 0 0 112 1,-0.2 -1,-0.2 28,-0.0 26,-0.0 0.931 79.5 38.9 -59.4 -52.5 -25.0 0.4 -2.1 19 298 A G S S+ 0 0 45 -3,-0.5 -1,-0.2 2,-0.0 -2,-0.1 0.693 95.9 117.5 -70.9 -18.8 -22.9 0.2 -5.2 20 299 A W - 0 0 22 -3,-0.2 2,-0.2 -4,-0.2 51,-0.2 0.140 38.1-178.6 -60.9 165.0 -24.9 -2.6 -6.7 21 300 A E E -B 70 0A 101 49,-1.3 49,-2.3 0, 0.0 2,-0.3 -0.805 26.6-133.2-167.2 113.3 -27.0 -2.7 -9.9 22 301 A V E -B 69 0A 24 47,-0.3 47,-0.3 -2,-0.2 3,-0.1 -0.607 21.8-170.6 -65.0 127.6 -29.1 -5.5 -11.4 23 302 A L E + 0 0 73 45,-2.0 2,-0.2 -2,-0.3 46,-0.1 0.338 62.1 7.1-109.4 10.3 -28.1 -5.5 -15.1 24 303 A S E +B 68 0A 51 44,-0.7 44,-1.9 16,-0.0 2,-0.3 -0.876 56.8 178.5 177.6 149.3 -30.7 -7.8 -16.5 25 304 A F E -B 67 0A 86 -2,-0.2 42,-0.2 42,-0.2 3,-0.1 -0.970 30.5-136.6-161.4 146.0 -33.9 -9.8 -15.5 26 305 A T S S- 0 0 61 40,-2.4 2,-0.3 -2,-0.3 41,-0.1 0.832 85.6 -8.4 -71.5 -31.7 -36.4 -12.0 -17.2 27 306 A T + 0 0 3 39,-0.3 2,-0.3 34,-0.1 -1,-0.2 -0.995 55.0 169.2-168.2 149.5 -39.4 -10.3 -15.5 28 307 A Q - 0 0 44 -2,-0.3 2,-0.8 -3,-0.1 26,-0.2 -0.968 37.6-109.9-159.9 165.3 -40.7 -7.8 -13.0 29 308 A E + 0 0 3 9,-1.6 4,-0.2 24,-1.1 5,-0.2 -0.818 29.6 177.0-107.1 96.9 -44.0 -6.1 -12.1 30 309 A A S S+ 0 0 63 -2,-0.8 -1,-0.1 8,-0.1 8,-0.1 0.225 80.3 1.6 -84.3 15.1 -43.8 -2.4 -13.0 31 310 A S S S+ 0 0 70 5,-0.0 5,-0.1 7,-0.0 6,-0.1 0.122 105.5 81.5-154.8 -76.3 -47.4 -1.6 -11.9 32 311 A G S S+ 0 0 26 25,-0.2 3,-0.1 3,-0.1 6,-0.1 0.579 106.1 28.6 -6.2 -75.0 -49.5 -4.4 -10.4 33 312 A E S S- 0 0 65 -4,-0.2 2,-0.2 1,-0.2 5,-0.1 0.863 129.3 -23.0 -63.9-112.3 -48.0 -4.1 -7.0 34 313 A G - 0 0 25 -5,-0.2 3,-0.5 3,-0.1 -1,-0.2 -0.508 56.1-119.2 -95.6 172.5 -46.8 -0.6 -6.1 35 314 A A S S+ 0 0 113 1,-0.2 -3,-0.1 -2,-0.2 3,-0.1 0.098 120.6 32.0 -96.5 18.6 -45.7 2.2 -8.4 36 315 A G S S+ 0 0 56 -5,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.014 119.3 69.2-148.5 24.7 -42.2 2.1 -6.8 37 316 A N + 0 0 23 -3,-0.5 -4,-0.2 -8,-0.1 15,-0.1 -0.956 67.5 49.3-153.2 153.8 -42.3 -1.6 -6.1 38 317 A G B S+c 52 0A 0 13,-2.0 15,-2.5 1,-0.3 -9,-1.6 0.193 78.4 133.9 94.5 -14.6 -42.3 -5.1 -7.6 39 318 A L S > S- 0 0 43 13,-0.2 3,-1.0 -11,-0.2 -1,-0.3 -0.192 70.4-118.4 -66.1 158.3 -39.3 -4.1 -9.7 40 319 A A G > S+ 0 0 1 1,-0.2 3,-2.3 2,-0.2 4,-0.2 0.921 113.8 63.9 -60.2 -42.7 -36.2 -6.2 -10.0 41 320 A K G > S+ 0 0 134 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.634 86.9 72.7 -59.2 -14.2 -34.2 -3.4 -8.4 42 321 A C G X S+ 0 0 2 -3,-1.0 3,-1.1 1,-0.2 5,-0.3 0.773 82.1 71.7 -70.2 -26.7 -36.2 -4.0 -5.2 43 322 A L G < S+ 0 0 1 -3,-2.3 110,-3.0 -4,-0.3 -1,-0.2 0.730 112.2 24.6 -57.0 -27.3 -34.3 -7.2 -4.7 44 323 A I G < S+ 0 0 12 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 -0.134 91.8 101.6-134.2 36.0 -31.1 -5.2 -3.8 45 324 A D S < S- 0 0 61 -3,-1.1 -2,-0.1 2,-0.2 3,-0.1 0.503 84.4-118.6-106.5 -3.8 -32.3 -1.8 -2.5 46 325 A G S S+ 0 0 61 1,-0.2 2,-0.5 -4,-0.2 106,-0.1 0.489 76.5 122.7 79.1 3.4 -32.0 -2.2 1.3 47 326 A D - 0 0 70 -5,-0.3 -1,-0.2 104,-0.2 -2,-0.2 -0.889 47.6-165.0-104.4 121.1 -35.8 -1.7 1.6 48 327 A T S S+ 0 0 67 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.891 90.6 56.2 -65.6 -42.7 -37.8 -4.4 3.4 49 328 A E S S+ 0 0 112 2,-0.0 2,-0.3 -12,-0.0 -1,-0.2 0.771 95.4 78.5 -67.6 -28.4 -41.1 -3.0 2.1 50 329 A T + 0 0 15 -8,-0.1 2,-0.3 -3,-0.1 -5,-0.1 -0.649 60.3 172.0 -81.4 137.7 -39.9 -3.2 -1.5 51 330 A F - 0 0 15 -2,-0.3 -13,-2.0 2,-0.0 2,-0.4 -0.963 33.5-119.7-137.6 154.7 -40.0 -6.6 -3.2 52 331 A W E -cD 38 150A 1 98,-2.7 98,-2.0 -2,-0.3 2,-0.4 -0.773 32.0-174.6 -85.4 140.8 -39.5 -7.9 -6.7 53 332 A H E - D 0 149A 12 -15,-2.5 -24,-1.1 -2,-0.4 96,-0.2 -0.979 29.0-112.6-134.7 131.2 -42.6 -9.6 -8.1 54 333 A A - 0 0 0 94,-2.5 94,-0.1 -2,-0.4 -25,-0.1 -0.187 53.1 -81.0 -50.3 149.1 -42.6 -11.4 -11.4 55 334 A K + 0 0 71 1,-0.2 6,-0.6 -27,-0.1 -26,-0.2 -0.383 68.2 146.1 -58.8 131.4 -44.9 -9.7 -14.0 56 335 A W + 0 0 115 1,-0.2 2,-0.7 4,-0.2 -1,-0.2 0.519 41.0 84.9-138.9 -27.6 -48.5 -10.7 -13.4 57 336 A Q S S- 0 0 87 1,-0.2 -25,-0.2 0, 0.0 -1,-0.2 -0.789 110.0 -4.4 -93.5 116.5 -50.7 -7.8 -14.2 58 337 A G S S- 0 0 90 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.222 139.4 -3.5 91.5 -10.9 -51.7 -7.6 -17.9 59 338 A G - 0 0 31 -3,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.870 66.5-143.2 171.5 162.9 -49.4 -10.5 -18.9 60 339 A S - 0 0 65 -2,-0.3 -4,-0.2 -4,-0.1 87,-0.1 -0.968 19.0-116.8-140.8 163.3 -46.9 -12.9 -17.3 61 340 A D - 0 0 50 -6,-0.6 2,-0.2 -2,-0.3 -34,-0.1 -0.772 27.4-115.0-100.8 142.7 -43.7 -14.5 -18.4 62 341 A P - 0 0 104 0, 0.0 78,-0.0 0, 0.0 -1,-0.0 -0.549 55.0 -71.7 -67.0 139.4 -43.0 -18.2 -18.8 63 342 A L S S+ 0 0 24 -2,-0.2 2,-0.1 81,-0.1 77,-0.1 -0.214 94.6 74.0 -56.1 159.3 -40.5 -19.7 -16.4 64 343 A P - 0 0 64 0, 0.0 2,-0.5 0, 0.0 76,-0.1 0.583 59.6-175.5 -80.0 160.0 -37.5 -19.7 -15.8 65 344 A Y E + E 0 138A 2 73,-1.6 73,-3.0 -2,-0.1 2,-0.3 -0.982 4.6 178.3-116.9 127.5 -36.9 -16.2 -14.4 66 345 A D E - E 0 137A 45 -2,-0.5 -40,-2.4 71,-0.3 2,-0.4 -0.925 18.9-161.4-131.0 167.5 -33.6 -14.9 -13.6 67 346 A I E -BE 25 136A 3 69,-3.0 69,-2.2 -2,-0.3 2,-0.5 -0.980 9.7-157.1-138.4 120.4 -31.9 -11.8 -12.2 68 347 A V E -BE 24 135A 10 -44,-1.9 -45,-2.0 -2,-0.4 -44,-0.7 -0.890 11.2-162.0-102.6 125.4 -28.2 -11.0 -12.7 69 348 A I E -BE 22 134A 0 65,-3.5 65,-1.5 -2,-0.5 2,-0.7 -0.917 11.0-143.3-109.9 131.2 -26.7 -8.6 -10.1 70 349 A D E -BE 21 133A 7 -49,-2.3 -49,-1.3 -2,-0.5 2,-0.6 -0.873 9.6-161.7 -88.9 112.9 -23.4 -6.8 -10.7 71 350 A X E - 0 0 0 61,-3.2 4,-0.1 -2,-0.7 -54,-0.1 -0.883 17.4-141.3 -85.5 125.0 -21.6 -6.5 -7.4 72 351 A K E S+ 0 0 90 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.686 80.0 61.3 -64.7 -13.9 -19.1 -3.7 -8.2 73 352 A Q E S- 0 0 88 59,-0.2 2,-0.7 58,-0.1 -2,-0.1 -0.824 88.5-111.1-118.7 149.8 -16.5 -5.6 -6.2 74 353 A N E - 0 0 41 -2,-0.3 86,-1.8 56,-0.1 2,-0.4 -0.697 49.1-178.4 -75.2 116.3 -14.8 -9.0 -6.3 75 354 A I E -FE 159 131A 2 56,-2.5 56,-2.8 -2,-0.7 2,-1.3 -0.950 37.0-129.9-130.0 138.6 -16.2 -10.9 -3.4 76 355 A Q E -FE 158 130A 67 82,-2.2 82,-1.3 -2,-0.4 54,-0.3 -0.731 36.3-147.0 -81.5 92.4 -15.7 -14.3 -1.7 77 356 A I E +FE 157 129A 0 52,-2.6 52,-0.6 -2,-1.3 80,-0.2 -0.390 30.6 164.4 -59.5 133.7 -19.3 -15.3 -1.4 78 357 A A E + 0 0 7 78,-2.9 2,-0.3 1,-0.5 79,-0.2 0.649 64.3 3.8-118.9 -44.2 -20.0 -17.5 1.7 79 358 A Q E -F 156 0A 5 77,-2.3 77,-1.2 46,-0.2 -1,-0.5 -0.888 57.8-145.6-130.6 166.4 -23.8 -17.4 2.0 80 359 A V E -FG 155 124A 0 44,-1.9 44,-3.2 -2,-0.3 2,-0.4 -0.977 16.1-159.2-125.2 146.1 -26.8 -16.0 0.1 81 360 A E E -FG 154 123A 24 73,-2.6 73,-2.5 -2,-0.4 2,-0.5 -0.984 5.1-167.7-126.7 134.3 -29.8 -14.7 2.0 82 361 A L E -FG 153 122A 0 40,-1.7 40,-3.2 -2,-0.4 71,-0.2 -0.980 11.7-153.1-123.8 123.4 -33.3 -14.2 0.6 83 362 A L E -F 152 0A 37 69,-3.1 68,-2.4 -2,-0.5 69,-1.2 -0.858 24.0-148.4 -88.0 109.6 -36.1 -12.3 2.4 84 363 A P E -F 150 0A 1 0, 0.0 66,-0.2 0, 0.0 33,-0.1 -0.293 24.7-109.8 -71.8 162.5 -39.3 -13.9 1.1 85 364 A R + 0 0 58 64,-0.9 65,-0.1 -33,-0.1 32,-0.1 0.913 65.3 157.2 -60.2 -41.1 -42.5 -11.9 0.7 86 365 A G > + 0 0 1 3,-0.1 3,-1.2 5,-0.1 32,-0.1 0.105 24.3 110.3 52.8-161.7 -44.0 -13.8 3.7 87 366 A R T 3 S- 0 0 133 1,-0.2 -1,-0.1 30,-0.1 31,-0.1 0.939 115.1 -55.5 58.5 47.7 -46.8 -12.6 5.9 88 367 A G T 3 S+ 0 0 84 29,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.399 97.0 150.6 74.0 -2.0 -49.3 -15.2 4.6 89 368 A S < - 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