==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUN-05 2CWR . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR K.UEGAKI,T.NAKAMURA,K.ISHIKAWA,H.MATSUMURA . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 51.5 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 . 3 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-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 . 12 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.1 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 . 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 1 2 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 1 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 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 1 262 A P 0 0 164 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.7 3.0 42.6 5.7 2 263 A V - 0 0 29 90,-0.2 2,-0.3 93,-0.0 90,-0.1 -0.632 360.0-154.5 -82.3 133.3 4.9 39.3 6.4 3 264 A S + 0 0 76 -2,-0.3 23,-1.2 94,-0.1 2,-0.3 -0.825 35.0 106.9-108.5 147.5 6.2 37.4 3.4 4 265 A G E -A 25 0A 33 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.976 43.7-123.7 170.1-177.7 6.9 33.7 3.2 5 266 A S E -A 24 0A 57 19,-1.9 19,-2.6 -2,-0.3 2,-0.4 -0.977 8.9-137.3-150.9 162.1 5.8 30.3 1.9 6 267 A L E -A 23 0A 50 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.971 17.8-178.3-124.1 137.9 4.8 26.9 3.0 7 268 A E E -A 22 0A 97 15,-2.3 15,-2.9 -2,-0.4 2,-0.4 -0.984 3.0-171.9-133.2 146.6 5.8 23.6 1.4 8 269 A V E -A 21 0A 53 -2,-0.4 2,-0.5 13,-0.2 13,-0.2 -0.996 14.9-149.6-143.5 135.7 4.9 20.1 2.4 9 270 A K E -A 20 0A 133 11,-2.4 11,-2.5 -2,-0.4 2,-0.4 -0.906 21.7-158.3-102.5 127.8 6.0 16.7 1.3 10 271 A V E -A 19 0A 76 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.908 17.4-178.9-115.7 136.4 3.3 14.0 1.5 11 272 A N E -A 18 0A 96 7,-2.0 7,-2.5 -2,-0.4 2,-0.4 -0.901 11.9-172.9-132.3 100.7 3.7 10.2 1.7 12 273 A D E +A 17 0A 68 -2,-0.4 5,-0.3 5,-0.3 71,-0.0 -0.818 13.7 177.7 -99.5 133.6 0.4 8.4 1.8 13 274 A W - 0 0 112 3,-3.1 2,-1.1 -2,-0.4 4,-0.1 0.007 55.4 -97.0-122.6 27.4 0.3 4.6 2.4 14 275 A G S S+ 0 0 26 2,-0.4 68,-0.2 1,-0.2 65,-0.1 -0.624 117.6 40.5 99.0 -77.9 -3.4 3.9 2.5 15 276 A S S S+ 0 0 80 -2,-1.1 64,-2.0 66,-0.1 2,-0.3 0.590 129.3 6.4 -82.5 -12.6 -4.4 3.9 6.2 16 277 A G E - B 0 78A 0 62,-0.2 -3,-3.1 25,-0.0 -2,-0.4 -0.949 60.2-151.6-157.9 176.5 -2.1 6.8 6.9 17 278 A A E -AB 12 77A 0 60,-1.6 60,-2.7 -2,-0.3 2,-0.4 -0.979 14.4-132.5-159.0 144.9 0.2 9.5 5.5 18 279 A E E -AB 11 76A 54 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.5 -0.862 14.4-161.2-104.4 135.7 3.2 11.5 6.6 19 280 A Y E -AB 10 75A 11 56,-3.1 56,-2.0 -2,-0.4 2,-0.7 -0.961 2.8-169.4-118.5 114.4 3.4 15.3 6.1 20 281 A D E -AB 9 74A 65 -11,-2.5 -11,-2.4 -2,-0.5 2,-0.3 -0.909 16.6-163.5-105.4 107.6 6.9 16.9 6.3 21 282 A V E -AB 8 73A 1 52,-2.8 52,-2.1 -2,-0.7 2,-0.4 -0.729 13.2-172.8 -99.0 141.0 6.4 20.7 6.4 22 283 A T E -AB 7 72A 35 -15,-2.9 -15,-2.3 -2,-0.3 2,-0.6 -0.999 9.3-156.2-131.2 127.9 8.9 23.4 5.7 23 284 A L E -AB 6 71A 0 48,-3.4 48,-1.4 -2,-0.4 2,-0.9 -0.921 1.2-160.0-107.8 122.3 8.2 27.1 6.4 24 285 A N E +AB 5 70A 51 -19,-2.6 -19,-1.9 -2,-0.6 2,-0.2 -0.843 26.3 175.4-103.0 96.6 10.2 29.6 4.4 25 286 A L E -A 4 0A 15 44,-3.1 -21,-0.2 -2,-0.9 3,-0.0 -0.649 42.8-129.6-104.4 159.6 9.8 32.8 6.4 26 287 A D S S- 0 0 86 -23,-1.2 2,-0.3 -2,-0.2 -22,-0.1 0.136 90.3 -20.2 -90.6 19.6 11.3 36.3 6.1 27 288 A G S S- 0 0 20 42,-0.2 2,-0.5 -24,-0.1 -2,-0.1 -0.977 94.3 -49.4 168.5-165.3 12.3 36.1 9.8 28 289 A Q + 0 0 146 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.866 57.4 163.1-103.0 128.1 11.6 34.4 13.1 29 290 A Y - 0 0 53 38,-2.5 2,-1.7 -2,-0.5 -2,-0.0 -0.961 51.2-118.6-140.7 157.7 8.0 34.1 14.2 30 291 A D - 0 0 108 -2,-0.3 63,-0.3 31,-0.1 37,-0.1 -0.642 61.0-169.2 -92.4 72.4 5.8 32.2 16.7 31 292 A W - 0 0 0 -2,-1.7 2,-0.4 61,-0.1 61,-0.2 0.071 20.5-143.4 -63.3 171.8 4.0 30.9 13.6 32 293 A T E -D 91 0B 37 59,-2.0 59,-3.3 29,-0.2 2,-0.5 -0.998 8.0-168.5-140.8 132.8 0.7 29.0 13.2 33 294 A V E -DE 90 60B 0 27,-2.4 27,-3.0 -2,-0.4 2,-0.5 -0.983 12.1-156.4-125.1 117.4 -0.1 26.3 10.7 34 295 A K E -DE 89 59B 80 55,-2.9 55,-2.9 -2,-0.5 2,-0.5 -0.820 6.8-165.4 -97.6 131.7 -3.8 25.3 10.5 35 296 A V E -DE 88 58B 0 23,-3.6 23,-2.3 -2,-0.5 2,-0.7 -0.964 9.6-155.6-121.0 122.7 -4.7 21.8 9.1 36 297 A K E -DE 87 57B 67 51,-2.4 50,-3.0 -2,-0.5 51,-1.4 -0.871 22.5-144.6 -97.3 115.8 -8.2 20.8 8.1 37 298 A L E -D 85 0B 8 19,-2.0 48,-0.3 -2,-0.7 3,-0.1 -0.449 14.2-112.4 -80.4 151.3 -8.4 17.1 8.3 38 299 A A > - 0 0 12 46,-2.6 3,-2.2 1,-0.2 -1,-0.1 -0.345 57.8 -66.2 -74.4 163.5 -10.4 14.9 5.9 39 300 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.239 122.7 5.7 -53.5 132.9 -13.6 13.1 7.3 40 301 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 39,-0.1 -2,-0.1 0.518 99.3 132.2 71.8 5.4 -12.7 10.5 9.9 41 302 A A < + 0 0 8 -3,-2.2 2,-0.3 38,-0.2 38,-0.2 -0.669 30.0 178.7 -93.5 146.3 -9.0 11.5 9.9 42 303 A T E -C 78 0A 79 36,-2.7 36,-3.1 -2,-0.3 2,-0.5 -0.974 33.9-102.8-142.3 155.3 -6.9 12.1 13.1 43 304 A V E -C 77 0A 14 -2,-0.3 34,-0.3 34,-0.2 3,-0.1 -0.690 27.5-174.1 -84.0 121.9 -3.3 12.9 13.9 44 305 A G E - 0 0 48 32,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.832 64.8 -21.0 -83.0 -36.9 -1.3 9.9 15.1 45 306 A S E -C 76 0A 52 31,-0.9 31,-2.4 2,-0.0 -1,-0.3 -0.970 57.9-170.6-164.1 167.3 2.0 11.7 16.0 46 307 A F E -C 75 0A 77 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.970 5.2-154.8-159.4 167.0 3.9 14.9 15.3 47 308 A W E +C 74 0A 92 27,-2.3 27,-1.6 -2,-0.3 3,-0.1 -0.995 66.2 23.2-152.3 154.7 7.3 16.5 15.9 48 309 A S S S+ 0 0 33 -2,-0.3 15,-0.8 25,-0.2 2,-0.3 0.652 111.5 65.0 65.5 19.7 9.1 19.8 16.2 49 310 A A E S-F 62 0B 6 13,-0.2 2,-0.3 25,-0.1 -1,-0.2 -0.978 78.1-115.7-160.5 166.3 5.8 21.4 17.1 50 311 A N E -F 61 0B 83 11,-3.0 11,-2.0 -2,-0.3 2,-0.4 -0.800 34.6-141.9-105.1 152.5 3.0 21.7 19.7 51 312 A K E -F 60 0B 74 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.944 19.7-175.1-126.6 141.0 -0.5 20.6 18.7 52 313 A Q E -F 59 0B 138 7,-1.9 7,-3.3 -2,-0.4 2,-0.4 -0.999 18.5-170.9-128.7 125.5 -4.0 21.8 19.4 53 314 A E E +F 58 0B 77 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.944 14.6 151.3-125.9 142.1 -6.8 19.7 18.0 54 315 A G E > -F 57 0B 46 3,-2.8 2,-0.9 -2,-0.4 3,-0.6 -0.629 60.8 -22.6-141.7-159.6 -10.6 20.2 17.7 55 316 A N T 3 S- 0 0 164 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.399 126.4 -34.2 -61.0 98.9 -13.5 19.2 15.5 56 317 A G T 3 S+ 0 0 40 -2,-0.9 -19,-2.0 1,-0.2 2,-0.4 0.552 122.0 100.8 65.0 8.0 -11.8 18.3 12.2 57 318 A Y E < -EF 36 54B 122 -3,-0.6 -3,-2.8 -21,-0.2 2,-0.4 -0.949 48.1-170.7-127.4 147.0 -9.1 21.0 12.7 58 319 A V E -EF 35 53B 0 -23,-2.3 -23,-3.6 -2,-0.4 2,-0.5 -0.998 6.0-160.3-135.6 137.7 -5.6 20.9 13.9 59 320 A I E -EF 34 52B 45 -7,-3.3 -7,-1.9 -2,-0.4 2,-0.4 -0.978 6.6-162.8-122.4 122.2 -3.3 23.8 14.8 60 321 A F E +EF 33 51B 0 -27,-3.0 -27,-2.4 -2,-0.5 -9,-0.2 -0.873 10.4 177.2-106.4 136.6 0.5 23.4 14.9 61 322 A T E - F 0 50B 41 -11,-2.0 -11,-3.0 -2,-0.4 -29,-0.2 -0.928 33.2 -91.8-131.5 156.4 2.7 25.9 16.6 62 323 A P E - F 0 49B 7 0, 0.0 -13,-0.2 0, 0.0 2,-0.2 -0.345 24.2-129.2 -75.4 149.6 6.5 25.9 17.1 63 324 A V > - 0 0 32 -15,-0.8 3,-2.2 -2,-0.1 -13,-0.0 -0.528 52.1 -84.6 -81.9 161.7 8.5 24.5 20.0 64 325 A S T 3 S+ 0 0 108 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.740 126.8 42.6 -39.3 -44.0 11.0 27.1 21.3 65 326 A W T 3 S+ 0 0 165 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.489 100.0 73.8 -87.6 -2.7 13.8 26.4 18.8 66 327 A N < + 0 0 7 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.254 54.3 115.9-107.9 47.3 11.7 26.1 15.7 67 328 A K - 0 0 77 -3,-0.3 -38,-2.5 1,-0.3 -1,-0.2 0.408 60.4-167.3 -96.7 4.7 10.7 29.7 14.9 68 329 A G S S- 0 0 14 -3,-0.3 -1,-0.3 2,-0.2 -40,-0.2 -0.640 72.4-161.8 110.6-169.1 12.5 30.1 11.6 69 330 A P S S+ 0 0 67 0, 0.0 -44,-3.1 0, 0.0 2,-0.7 -0.962 124.0 15.4 -63.1 -23.7 13.6 31.6 9.3 70 331 A T E S-B 24 0A 90 -46,-0.2 2,-0.3 -44,-0.1 -2,-0.2 -0.836 85.1-179.4-115.1 92.5 13.4 28.1 7.9 71 332 A A E -B 23 0A 0 -48,-1.4 -48,-3.4 -2,-0.7 2,-0.4 -0.700 5.6-170.4 -94.7 144.5 11.2 26.0 10.2 72 333 A T E +B 22 0A 65 -2,-0.3 2,-0.3 -50,-0.2 -50,-0.2 -0.997 17.0 144.5-135.2 138.7 10.5 22.3 9.7 73 334 A F E -B 21 0A 4 -52,-2.1 -52,-2.8 -2,-0.4 2,-0.3 -0.947 19.4-163.8-159.0 170.8 8.1 20.0 11.5 74 335 A G E -BC 20 47A 0 -27,-1.6 -27,-2.3 -2,-0.3 2,-0.3 -0.984 7.2-168.2-159.1 170.0 5.9 17.1 10.6 75 336 A F E -BC 19 46A 0 -56,-2.0 -56,-3.1 -2,-0.3 2,-0.4 -0.983 19.5-127.3-159.2 161.4 3.0 14.9 11.5 76 337 A I E -BC 18 45A 34 -31,-2.4 -32,-2.3 -2,-0.3 -31,-0.9 -0.948 19.9-159.1-117.4 135.8 1.3 11.6 10.6 77 338 A V E -BC 17 43A 0 -60,-2.7 -60,-1.6 -2,-0.4 2,-0.4 -0.965 1.6-161.7-119.6 131.3 -2.4 11.4 9.8 78 339 A N E +BC 16 42A 63 -36,-3.1 -36,-2.7 -2,-0.5 -62,-0.2 -0.855 36.6 99.3-108.6 144.8 -4.5 8.3 10.0 79 340 A G - 0 0 22 -64,-2.0 -38,-0.2 -2,-0.4 -39,-0.1 -0.993 64.0 -17.2 171.1-166.9 -7.8 7.9 8.3 80 341 A P S S- 0 0 69 0, 0.0 -66,-0.1 0, 0.0 -42,-0.1 -0.210 78.0 -85.3 -61.5 151.5 -10.0 6.7 5.4 81 342 A Q S S+ 0 0 182 -68,-0.1 2,-0.2 3,-0.0 -66,-0.1 -0.308 99.5 50.3 -56.1 141.1 -8.3 5.8 2.1 82 343 A G S S- 0 0 39 -68,-0.2 -68,-0.1 -3,-0.1 -44,-0.1 -0.557 110.1 -13.6 114.9 177.3 -7.8 8.9 0.1 83 344 A D - 0 0 138 -2,-0.2 3,-0.0 1,-0.2 -66,-0.0 -0.266 53.6-161.0 -53.4 128.0 -6.4 12.3 1.0 84 345 A K S S+ 0 0 1 1,-0.1 -46,-2.6 -7,-0.1 2,-0.4 0.683 75.1 45.6 -83.9 -21.8 -6.0 12.5 4.7 85 346 A V E -D 37 0B 17 -48,-0.3 -48,-0.2 1,-0.1 3,-0.1 -0.967 54.4-172.0-127.0 141.1 -5.8 16.3 4.8 86 347 A E E S+ 0 0 101 -50,-3.0 2,-0.3 -2,-0.4 -49,-0.2 0.732 75.0 9.6-100.2 -29.7 -7.9 18.9 2.9 87 348 A E E -D 36 0B 101 -51,-1.4 -51,-2.4 2,-0.0 2,-0.4 -0.987 47.5-171.1-156.0 142.3 -5.9 22.0 3.7 88 349 A I E +D 35 0B 34 -2,-0.3 2,-0.4 -53,-0.2 -53,-0.2 -0.956 23.9 179.4-134.2 111.2 -2.6 23.1 5.2 89 350 A T E -D 34 0B 23 -55,-2.9 -55,-2.9 -2,-0.4 2,-0.4 -0.959 21.4-142.3-126.3 132.8 -2.4 26.9 5.8 90 351 A L E -D 33 0B 6 -2,-0.4 7,-2.7 7,-0.3 2,-0.4 -0.732 21.6-178.7 -91.4 131.6 0.3 29.1 7.2 91 352 A E E -DG 32 96B 32 -59,-3.3 -59,-2.0 -2,-0.4 2,-0.4 -0.969 9.0-173.8-129.6 145.0 -0.7 32.1 9.4 92 353 A I E > S- G 0 95B 3 3,-2.3 3,-1.4 -2,-0.4 -90,-0.2 -0.979 77.7 -4.2-140.8 124.5 1.5 34.7 11.0 93 354 A N T 3 S- 0 0 127 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.849 132.2 -57.3 62.1 33.2 0.1 37.4 13.4 94 355 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -62,-0.0 -1,-0.3 0.589 115.7 114.9 74.9 11.1 -3.4 36.0 12.6 95 356 A Q E < -G 92 0B 123 -3,-1.4 -3,-2.3 0, 0.0 -1,-0.2 -0.957 68.4-120.5-120.6 129.6 -2.9 36.6 8.9 96 357 A V E G 91 0B 90 -2,-0.5 -5,-0.3 -5,-0.2 -7,-0.0 -0.403 360.0 360.0 -64.0 133.8 -2.8 33.9 6.2 97 358 A I 0 0 86 -7,-2.7 -7,-0.3 -2,-0.1 -91,-0.1 -0.731 360.0 360.0 -86.9 360.0 0.5 34.0 4.2