==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-FEB-11 2YA5 . COMPND 2 MOLECULE: NEURAMINIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR H.GUT,G.XU,G.L.TAYLOR,M.A.WALSH . 941 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 335 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 . 1 0.1 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 . 76 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.0 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 6 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 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 0 PARALLEL BRIDGES PER LADDER . 4 13 10 7 4 3 9 6 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 . 4 0 6 6 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 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 1 307 A A 0 0 65 0, 0.0 463,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -21.0 -5.2 -5.4 61.7 2 308 A L B -A 463 0A 56 461,-0.2 461,-0.2 465,-0.1 459,-0.0 -0.829 360.0-146.1-152.7 115.2 -4.4 -8.6 59.7 3 309 A T - 0 0 53 459,-2.1 2,-0.1 -2,-0.3 3,-0.1 -0.180 26.4 -99.3 -75.3 165.0 -6.7 -10.2 57.2 4 310 A E - 0 0 152 1,-0.1 458,-0.2 457,-0.1 -1,-0.1 -0.432 57.1 -83.4 -71.3 159.3 -7.1 -13.9 56.4 5 311 A K - 0 0 45 -2,-0.1 2,-0.5 456,-0.1 456,-0.2 -0.382 35.6-157.4 -67.0 144.4 -5.2 -15.0 53.3 6 312 A T E -B 460 0A 56 454,-1.4 454,-2.7 -3,-0.1 2,-0.4 -0.988 19.3-133.7-117.9 115.2 -6.8 -14.6 49.9 7 313 A D E +B 459 0A 51 -2,-0.5 452,-0.3 452,-0.3 3,-0.2 -0.583 29.5 172.6 -71.3 121.8 -5.3 -17.0 47.4 8 314 A I E S+ 0 0 3 450,-3.3 2,-0.4 -2,-0.4 451,-0.2 0.776 75.4 23.8-100.8 -38.8 -4.5 -15.1 44.1 9 315 A F E S-B 458 0A 4 449,-1.9 449,-2.6 16,-0.0 2,-0.5 -0.924 79.8-159.0-131.5 105.1 -2.6 -17.8 42.2 10 316 A E - 0 0 81 -2,-0.4 447,-0.2 447,-0.2 12,-0.1 -0.769 3.8-150.4 -95.8 124.5 -3.5 -21.3 43.3 11 317 A S - 0 0 1 -2,-0.5 13,-0.2 443,-0.2 12,-0.2 -0.275 26.7 -98.9 -75.5 168.0 -1.2 -24.2 42.6 12 318 A G - 0 0 3 11,-1.8 442,-2.4 10,-0.3 2,-0.3 -0.010 41.4-112.1 -72.3-170.8 -2.3 -27.8 42.1 13 319 A R B > S+E 453 0B 92 4,-0.3 3,-2.2 440,-0.3 440,-0.2 -0.952 77.6 3.5-133.3 148.2 -2.2 -30.4 44.9 14 320 A N T 3 S- 0 0 124 438,-3.2 -1,-0.1 -2,-0.3 439,-0.1 0.769 129.2 -52.6 51.6 34.8 -0.2 -33.6 45.6 15 321 A G T 3 S+ 0 0 40 437,-0.4 -1,-0.3 1,-0.3 8,-0.1 0.514 113.8 111.3 84.5 4.3 1.9 -33.2 42.5 16 322 A N S < S- 0 0 99 -3,-2.2 -1,-0.3 1,-0.1 -3,-0.2 -0.700 72.4 -97.2-105.6 162.3 -1.0 -32.9 40.0 17 323 A P - 0 0 66 0, 0.0 -4,-0.3 0, 0.0 6,-0.3 -0.323 36.6-117.8 -73.0 160.1 -2.1 -29.8 38.0 18 324 A N > - 0 0 33 4,-1.8 3,-2.0 -6,-0.2 -6,-0.1 -0.152 47.6 -75.5 -80.5-171.3 -4.8 -27.5 39.2 19 325 A K T 3 S+ 0 0 202 1,-0.3 -1,-0.0 2,-0.1 -7,-0.0 0.802 133.1 52.4 -58.8 -30.8 -8.1 -26.9 37.3 20 326 A D T 3 S- 0 0 69 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.382 122.1-103.3 -89.2 3.9 -6.4 -24.7 34.7 21 327 A G S < S+ 0 0 30 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.559 81.9 129.7 85.8 11.0 -3.7 -27.3 34.0 22 328 A I - 0 0 0 1,-0.1 -4,-1.8 -12,-0.1 -10,-0.3 -0.866 38.9-172.0-104.4 118.4 -1.0 -25.4 36.1 23 329 A K + 0 0 57 23,-2.4 -11,-1.8 -2,-0.5 2,-0.3 0.877 67.8 16.6 -71.3 -32.9 1.0 -27.4 38.7 24 330 A S E -F 45 0C 0 21,-1.5 21,-2.5 -13,-0.2 2,-0.4 -0.975 47.6-160.7-151.3 141.9 2.7 -24.4 40.2 25 331 A Y E +F 44 0C 4 431,-1.4 2,-0.3 -2,-0.3 19,-0.2 -0.968 26.6 165.1-119.2 144.3 2.9 -20.6 40.8 26 332 A R E +F 43 0C 23 17,-2.0 17,-3.6 -2,-0.4 70,-0.1 -0.970 38.6 40.5-145.7 166.4 6.0 -18.9 41.9 27 333 A I E - 0 0 1 -2,-0.3 70,-0.4 15,-0.2 -1,-0.2 0.971 64.0-150.1 68.1 68.9 7.7 -15.5 42.3 28 334 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.356 15.7-176.8 -70.7 146.5 5.2 -12.8 43.4 29 335 A A E -F 41 0C 0 12,-1.6 12,-3.8 404,-0.1 2,-0.4 -0.980 7.2-163.4-138.7 135.3 5.3 -9.2 42.5 30 336 A L E -F 40 0C 0 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.983 8.1-179.6-126.5 126.6 2.8 -6.7 43.8 31 337 A L E -F 39 0C 9 8,-2.6 8,-3.3 -2,-0.4 2,-0.6 -0.991 17.9-156.1-131.6 128.1 2.2 -3.2 42.5 32 338 A K E -F 38 0C 56 -2,-0.4 6,-0.2 6,-0.2 69,-0.1 -0.910 26.6-152.9 -95.2 119.0 -0.2 -0.4 43.5 33 339 A T > - 0 0 7 4,-3.0 3,-1.9 -2,-0.6 75,-0.0 -0.323 29.6-100.6 -89.9 171.4 -0.9 1.8 40.5 34 340 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.792 124.7 58.0 -58.1 -32.6 -1.9 5.5 40.4 35 341 A K T 3 S- 0 0 134 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.414 121.5-111.9 -78.7 4.1 -5.5 4.4 39.8 36 342 A G S < S+ 0 0 21 -3,-1.9 29,-0.4 1,-0.3 -2,-0.1 0.520 71.0 146.2 75.4 5.1 -5.2 2.6 43.1 37 343 A T - 0 0 5 27,-0.1 -4,-3.0 28,-0.1 2,-0.5 -0.448 44.6-135.6 -68.4 143.0 -5.4 -0.7 41.2 38 344 A L E -FG 32 62C 0 24,-2.7 24,-2.6 -6,-0.2 2,-0.5 -0.917 15.2-163.3-100.2 131.1 -3.4 -3.6 42.6 39 345 A I E -FG 31 61C 0 -8,-3.3 -8,-2.6 -2,-0.5 2,-0.6 -0.963 0.1-164.2-111.9 122.5 -1.4 -5.8 40.1 40 346 A A E -FG 30 60C 0 20,-2.6 20,-1.5 -2,-0.5 2,-0.3 -0.930 10.9-165.7-106.0 113.8 -0.3 -9.2 41.3 41 347 A G E +FG 29 59C 0 -12,-3.8 -12,-1.6 -2,-0.6 2,-0.3 -0.682 14.0 160.3 -98.6 151.4 2.5 -10.7 39.1 42 348 A A E - G 0 58C 0 16,-2.3 16,-2.2 -2,-0.3 2,-0.5 -0.983 43.8-106.6-156.1 162.8 3.7 -14.3 39.1 43 349 A D E -FG 26 57C 0 -17,-3.6 -17,-2.0 -2,-0.3 2,-1.0 -0.876 31.8-146.9 -84.2 124.6 5.5 -17.1 37.1 44 350 A E E -FG 25 56C 6 12,-2.9 12,-2.0 -2,-0.5 2,-1.3 -0.837 15.6-166.3 -93.6 97.9 2.8 -19.5 35.9 45 351 A R E +FG 24 55C 1 -21,-2.5 -21,-1.5 -2,-1.0 -22,-0.3 -0.671 9.2 179.6 -98.3 88.6 4.8 -22.7 36.1 46 352 A R S S+ 0 0 75 8,-1.6 -23,-2.4 -2,-1.3 -1,-0.2 0.873 70.3 31.0 -60.0 -50.1 2.7 -25.2 34.2 47 353 A L S S- 0 0 53 7,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.719 125.4 -24.8 -88.5 -25.7 4.6 -28.5 34.2 48 354 A H - 0 0 30 4,-0.2 -24,-0.2 6,-0.2 -1,-0.2 -0.955 64.0 -93.5-174.9 176.3 6.5 -28.5 37.6 49 355 A S S S+ 0 0 40 -2,-0.3 -3,-0.0 -26,-0.1 4,-0.0 0.513 80.5 112.9 -87.4 -7.0 7.9 -26.1 40.3 50 356 A S S S- 0 0 49 1,-0.1 2,-1.4 -5,-0.0 -2,-0.2 -0.070 82.6 -98.7 -72.6 169.6 11.5 -25.9 38.9 51 357 A D S S+ 0 0 49 68,-0.1 70,-0.4 44,-0.0 71,-0.3 -0.290 100.7 36.9 -86.3 49.0 13.2 -22.9 37.5 52 358 A W S S+ 0 0 40 -2,-1.4 2,-0.2 68,-0.1 -4,-0.2 -0.927 71.9 78.4-173.9-174.7 12.6 -23.8 33.8 53 359 A G S S- 0 0 0 65,-0.7 2,-1.0 38,-0.4 41,-0.2 -0.569 95.4 -15.1 94.5-159.4 10.0 -25.4 31.6 54 360 A D S S+ 0 0 18 -2,-0.2 -8,-1.6 33,-0.2 2,-0.4 -0.739 76.3 168.1 -86.6 101.9 6.9 -23.9 30.2 55 361 A I E -G 45 0C 3 -2,-1.0 39,-0.4 37,-0.4 23,-0.4 -0.966 21.2-155.2-125.0 130.0 6.4 -20.7 32.2 56 362 A G E -G 44 0C 2 -12,-2.0 -12,-2.9 -2,-0.4 2,-0.8 -0.779 17.5-132.8-100.3 145.6 4.0 -17.8 31.6 57 363 A M E +GH 43 76C 0 19,-2.8 18,-2.9 -2,-0.3 19,-1.1 -0.888 46.2 170.6 -92.4 111.9 4.5 -14.2 32.8 58 364 A V E -GH 42 74C 0 -16,-2.2 -16,-2.3 -2,-0.8 2,-0.3 -0.883 23.0-171.4-129.7 153.7 1.0 -13.5 34.2 59 365 A I E -GH 41 73C 0 14,-2.6 14,-3.8 -2,-0.3 2,-0.3 -0.960 9.4-156.9-134.7 156.0 -0.9 -10.9 36.3 60 366 A R E -G 40 0C 60 -20,-1.5 -20,-2.6 -2,-0.3 2,-0.4 -0.948 20.0-140.8-121.7 153.2 -4.3 -10.5 37.9 61 367 A R E -G 39 0C 30 10,-0.4 9,-2.6 -2,-0.3 2,-0.5 -0.917 9.7-163.2-116.9 140.0 -5.8 -7.1 38.7 62 368 A S E -G 38 0C 0 -24,-2.6 -24,-2.7 -2,-0.4 3,-0.4 -0.981 8.3-178.8-122.0 119.4 -7.8 -5.8 41.8 63 369 A E S S+ 0 0 132 -2,-0.5 -1,-0.1 5,-0.3 6,-0.1 0.381 81.6 57.5 -95.1 2.6 -9.8 -2.6 41.5 64 370 A D S > S- 0 0 63 4,-0.5 3,-1.0 -26,-0.1 -1,-0.2 -0.218 123.0 -90.6-125.9 41.1 -11.1 -2.7 45.1 65 371 A N T 3 S- 0 0 33 -3,-0.4 -2,-0.1 -29,-0.4 -28,-0.1 0.794 90.0 -41.0 56.2 38.0 -7.8 -2.8 47.0 66 372 A G T 3 S+ 0 0 2 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.390 109.1 106.2 101.9 -2.0 -7.4 -6.6 47.1 67 373 A K S < S+ 0 0 147 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.985 88.7 16.7 -69.1 -60.8 -10.9 -8.0 47.9 68 374 A T - 0 0 91 -4,-0.0 -4,-0.5 0, 0.0 2,-0.4 -0.862 69.4-155.3-119.6 154.2 -11.7 -9.3 44.4 69 375 A W - 0 0 28 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.968 10.6-132.6-134.5 140.0 -9.4 -10.1 41.4 70 376 A G - 0 0 35 -9,-2.6 3,-0.1 -2,-0.4 -1,-0.1 0.120 46.7 -59.3 -76.7-169.0 -10.0 -10.3 37.7 71 377 A D - 0 0 149 1,-0.1 -10,-0.4 -11,-0.1 -1,-0.2 -0.372 65.8 -87.4 -71.1 154.6 -9.0 -13.0 35.1 72 378 A R - 0 0 90 -12,-0.1 2,-0.6 -3,-0.1 -12,-0.2 -0.436 39.0-153.2 -60.3 127.9 -5.4 -13.9 34.6 73 379 A V E -H 59 0C 37 -14,-3.8 -14,-2.6 -2,-0.2 2,-0.7 -0.953 8.2-144.1-104.2 122.9 -3.7 -11.7 32.0 74 380 A T E -H 58 0C 49 -2,-0.6 106,-0.3 -16,-0.2 -16,-0.2 -0.803 17.7-178.1 -90.7 118.1 -0.8 -13.3 30.3 75 381 A I E S- 0 0 1 -18,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.948 71.5 -3.7 -74.3 -55.8 2.0 -10.9 29.5 76 382 A T E +H 57 0C 0 -19,-1.1 -19,-2.8 153,-0.1 -1,-0.3 -0.997 57.1 168.5-143.0 133.0 4.3 -13.3 27.7 77 383 A N - 0 0 33 103,-2.7 -21,-0.1 -2,-0.3 3,-0.1 -0.672 21.8-152.8-146.0 94.5 4.2 -17.0 27.0 78 384 A L - 0 0 3 -23,-0.4 104,-0.2 -2,-0.2 105,-0.1 -0.371 30.0-106.0 -66.7 139.8 6.7 -18.3 24.5 79 385 A R - 0 0 61 103,-1.0 -1,-0.1 105,-0.2 -2,-0.0 -0.379 34.1-114.8 -69.2 142.6 5.5 -21.5 22.7 80 386 A D - 0 0 78 11,-0.2 11,-0.2 1,-0.1 -1,-0.1 -0.239 31.1 -99.8 -69.2 161.2 7.1 -24.8 23.7 81 387 A N > - 0 0 7 9,-2.8 3,-1.6 1,-0.2 -1,-0.1 -0.794 32.2-158.8 -79.3 111.5 9.3 -26.9 21.3 82 388 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.734 89.3 51.7 -70.3 -19.2 6.7 -29.5 20.2 83 389 A K T 3 S+ 0 0 134 118,-0.2 2,-0.2 119,-0.1 -2,-0.0 0.273 79.1 130.7 -94.6 6.8 9.5 -31.9 19.1 84 390 A A < - 0 0 15 -3,-1.6 6,-0.1 6,-0.2 118,-0.0 -0.446 53.6-146.2 -68.7 132.6 11.3 -31.7 22.5 85 391 A S S S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.957 94.2 36.2 -62.1 -50.4 12.2 -35.2 23.9 86 392 A D > - 0 0 86 1,-0.1 3,-1.6 3,-0.1 -1,-0.3 -0.885 68.4-168.6-107.2 107.3 11.7 -34.0 27.5 87 393 A P G > S+ 0 0 81 0, 0.0 3,-1.1 0, 0.0 -33,-0.2 0.743 83.0 72.9 -65.4 -23.9 8.8 -31.5 27.7 88 394 A S G 3 S+ 0 0 45 1,-0.3 -41,-0.1 2,-0.1 -36,-0.1 0.725 118.5 18.5 -60.1 -24.5 9.9 -30.6 31.3 89 395 A I G < S+ 0 0 55 -3,-1.6 29,-0.4 -36,-0.1 -1,-0.3 0.025 102.4 105.6-125.6 19.5 12.9 -28.8 29.8 90 396 A G < + 0 0 1 -3,-1.1 -9,-2.8 27,-0.1 -6,-0.2 0.134 62.7 77.5 -98.9 19.5 11.3 -28.5 26.4 91 397 A S S S- 0 0 1 27,-0.3 27,-0.7 -11,-0.2 -38,-0.4 -0.984 82.1-110.0-131.8 137.0 10.3 -24.8 26.4 92 398 A P - 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