==== 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 2YA7 . COMPND 2 MOLECULE: NEURAMINIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR H.GUT,G.XU,G.L.TAYLOR,M.A.WALSH . 1877 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1150 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 667 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 38 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 149 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 2.1 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 10 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 RESIDUES PER ALPHA HELIX . 0 4 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 . 7 26 21 13 9 3 20 12 4 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 . 9 0 13 11 2 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 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 74 0, 0.0 463,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -26.7 5.4 -10.5 -0.8 2 308 A L B -A 463 0A 53 461,-0.2 461,-0.2 465,-0.1 2,-0.0 -0.889 360.0-144.9-146.5 113.7 8.5 -11.3 1.2 3 309 A T - 0 0 57 459,-2.5 3,-0.1 -2,-0.3 2,-0.0 -0.310 29.6 -97.4 -72.0 157.0 10.1 -9.0 3.7 4 310 A E - 0 0 156 1,-0.1 2,-0.2 457,-0.1 458,-0.2 -0.348 56.2 -84.1 -62.7 155.9 13.8 -8.6 4.3 5 311 A K - 0 0 45 456,-0.1 2,-0.5 454,-0.1 456,-0.2 -0.472 38.8-157.1 -71.5 130.8 15.2 -10.6 7.3 6 312 A T E -B 460 0A 56 454,-2.4 454,-2.9 -2,-0.2 2,-0.5 -0.960 17.9-130.9-105.5 123.1 14.9 -9.0 10.7 7 313 A D E +B 459 0A 47 -2,-0.5 452,-0.3 452,-0.2 3,-0.2 -0.653 31.8 169.8 -77.8 122.9 17.3 -10.3 13.2 8 314 A I E S+ 0 0 6 450,-3.1 2,-0.5 -2,-0.5 451,-0.2 0.818 74.6 24.0-103.0 -46.5 15.5 -11.2 16.5 9 315 A F E S-B 458 0A 0 449,-1.8 449,-2.6 16,-0.0 2,-0.5 -0.975 81.8-155.9-123.3 112.9 18.2 -13.1 18.4 10 316 A E - 0 0 99 -2,-0.5 8,-0.1 447,-0.2 447,-0.1 -0.785 3.0-148.2 -97.8 126.2 21.7 -12.0 17.3 11 317 A S - 0 0 9 -2,-0.5 13,-0.3 443,-0.2 12,-0.1 -0.360 23.8-105.4 -79.9 166.0 24.6 -14.4 17.8 12 318 A G - 0 0 3 11,-2.8 442,-2.8 10,-0.2 2,-0.4 -0.167 39.7-109.0 -75.2-176.8 28.2 -13.2 18.4 13 319 A R B > S+E 453 0B 105 4,-0.3 3,-1.4 440,-0.3 440,-0.3 -0.941 80.7 0.7-126.6 143.2 30.8 -13.4 15.6 14 320 A N T 3 S- 0 0 122 438,-3.7 -1,-0.2 -2,-0.4 439,-0.1 0.823 131.5 -49.9 52.5 43.0 33.9 -15.6 15.0 15 321 A G T 3 S+ 0 0 44 437,-0.4 -1,-0.3 1,-0.3 438,-0.1 0.578 112.7 121.8 75.2 13.2 33.4 -17.6 18.3 16 322 A N < - 0 0 96 -3,-1.4 -1,-0.3 7,-0.1 438,-0.2 -0.718 67.2-104.8-104.1 153.8 33.0 -14.4 20.4 17 323 A P - 0 0 64 0, 0.0 -4,-0.3 0, 0.0 6,-0.3 -0.398 34.9-117.1 -71.6 156.0 30.0 -13.4 22.5 18 324 A N > - 0 0 27 4,-2.5 3,-1.9 -6,-0.2 -6,-0.1 -0.139 47.0 -77.6 -74.9-174.8 27.6 -10.7 21.3 19 325 A K T 3 S+ 0 0 188 1,-0.3 -1,-0.1 2,-0.1 -7,-0.0 0.741 132.6 54.9 -58.9 -25.9 27.1 -7.4 23.1 20 326 A D T 3 S- 0 0 59 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.443 121.6-104.5 -88.7 0.0 24.9 -9.1 25.7 21 327 A G S < S+ 0 0 29 -3,-1.9 2,-0.5 1,-0.3 -2,-0.1 0.710 80.6 130.6 84.6 23.2 27.6 -11.7 26.6 22 328 A I - 0 0 0 1,-0.2 -4,-2.5 -12,-0.1 -1,-0.3 -0.934 46.8-158.5-116.1 124.4 25.8 -14.5 24.6 23 329 A K - 0 0 44 22,-1.0 -11,-2.8 -2,-0.5 2,-0.3 0.949 66.0 -28.1 -64.3 -50.1 27.6 -16.7 22.1 24 330 A S E -F 45 0C 0 21,-1.8 21,-2.6 -13,-0.3 2,-0.3 -0.959 48.0-126.4-161.7 170.3 24.6 -17.8 20.1 25 331 A Y E +F 44 0C 1 431,-2.0 2,-0.3 -2,-0.3 19,-0.2 -0.950 26.5 171.9-127.2 147.4 20.9 -18.7 19.8 26 332 A R E +F 43 0C 27 17,-1.9 17,-3.5 -2,-0.3 70,-0.1 -0.962 43.2 42.1-145.3 165.5 19.2 -21.8 18.6 27 333 A I E - 0 0 6 -2,-0.3 70,-0.3 15,-0.2 -1,-0.2 0.980 64.9-148.6 71.0 69.7 15.8 -23.5 18.3 28 334 A P E - 0 0 1 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.393 16.0-175.5 -69.8 142.7 13.2 -20.9 17.2 29 335 A A E -F 41 0C 0 12,-1.6 12,-3.1 -2,-0.1 2,-0.5 -0.980 7.1-164.1-135.2 128.3 9.5 -21.1 18.3 30 336 A L E -F 40 0C 0 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.946 8.2-179.3-117.7 129.2 7.1 -18.6 16.9 31 337 A L E -F 39 0C 8 8,-2.6 8,-2.9 -2,-0.5 2,-0.6 -0.963 18.5-157.5-136.8 117.5 3.7 -18.0 18.5 32 338 A K E -F 38 0C 52 -2,-0.4 6,-0.2 6,-0.2 69,-0.1 -0.828 29.4-151.8 -85.1 117.8 0.9 -15.6 17.4 33 339 A T > - 0 0 8 4,-3.1 3,-1.6 -2,-0.6 75,-0.0 -0.300 29.7 -97.6 -90.0 173.8 -1.2 -15.0 20.5 34 340 A D T 3 S+ 0 0 66 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.853 125.3 54.6 -52.8 -37.6 -4.9 -14.2 21.0 35 341 A K T 3 S- 0 0 152 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.607 121.5-107.0 -73.2 -12.9 -3.8 -10.5 21.4 36 342 A G S < S+ 0 0 24 -3,-1.6 29,-0.3 1,-0.3 -2,-0.1 0.338 73.4 146.0 96.5 -5.2 -2.0 -10.5 18.0 37 343 A T - 0 0 2 -5,-0.1 -4,-3.1 27,-0.1 2,-0.6 -0.382 44.3-139.8 -66.9 137.9 1.3 -10.5 19.9 38 344 A L E -FG 32 62C 0 24,-2.4 24,-2.7 -6,-0.2 2,-0.5 -0.920 16.0-164.1 -98.8 123.6 4.2 -12.5 18.3 39 345 A I E -FG 31 61C 0 -8,-2.9 -8,-2.6 -2,-0.6 2,-0.6 -0.948 1.1-164.4-109.0 126.5 6.3 -14.4 20.8 40 346 A A E -FG 30 60C 0 20,-2.8 20,-1.9 -2,-0.5 2,-0.3 -0.963 8.9-167.0-112.7 116.7 9.7 -15.6 19.6 41 347 A G E +FG 29 59C 0 -12,-3.1 -12,-1.6 -2,-0.6 2,-0.3 -0.709 12.5 162.5-102.0 153.5 11.3 -18.3 21.8 42 348 A A E - G 0 58C 0 16,-2.0 16,-2.0 -2,-0.3 2,-0.5 -0.986 44.1-104.6-159.9 156.5 14.9 -19.6 21.7 43 349 A D E -FG 26 57C 2 -17,-3.5 -17,-1.9 -2,-0.3 2,-0.7 -0.825 37.5-150.3 -76.3 125.5 17.7 -21.4 23.5 44 350 A E E -FG 25 56C 5 12,-2.8 12,-2.3 -2,-0.5 2,-0.8 -0.908 9.9-161.3-103.6 109.6 20.1 -18.7 24.7 45 351 A R E +FG 24 55C 6 -21,-2.6 -21,-1.8 -2,-0.7 -22,-1.0 -0.789 15.2 174.9-100.2 105.4 23.6 -20.1 24.7 46 352 A R S S+ 0 0 93 8,-2.0 -23,-0.5 -2,-0.8 -1,-0.2 0.907 73.7 32.1 -75.3 -43.3 26.0 -18.1 26.9 47 353 A L S S- 0 0 67 7,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.801 122.7 -28.4 -92.3 -33.6 29.3 -20.2 26.9 48 354 A H - 0 0 31 6,-0.2 -24,-0.2 4,-0.2 -1,-0.2 -0.933 63.5 -91.0-172.0-179.7 29.5 -21.9 23.5 49 355 A S S S+ 0 0 49 -2,-0.3 2,-0.1 -26,-0.1 4,-0.1 -0.162 77.3 112.7-109.3 39.1 27.5 -23.3 20.7 50 356 A S S S- 0 0 44 2,-0.3 2,-0.3 38,-0.1 -2,-0.1 -0.455 80.6 -95.2-106.3 179.9 27.0 -27.0 21.7 51 357 A D S S+ 0 0 58 -2,-0.1 70,-0.4 68,-0.1 71,-0.3 -0.080 105.0 28.2 -88.4 35.0 24.0 -29.2 22.8 52 358 A W S S+ 0 0 44 -2,-0.3 -2,-0.3 68,-0.1 2,-0.2 -0.883 77.5 80.0-167.5-170.0 24.7 -28.6 26.5 53 359 A G S S- 0 0 0 65,-0.8 2,-0.9 38,-0.4 41,-0.2 -0.608 93.5 -10.0 96.1-155.9 26.2 -26.0 28.9 54 360 A D S S+ 0 0 21 -2,-0.2 -8,-2.0 33,-0.1 -7,-0.5 -0.750 75.3 163.7 -87.1 101.6 24.7 -22.7 30.2 55 361 A I E -G 45 0C 4 -2,-0.9 39,-0.4 37,-0.4 23,-0.3 -0.986 20.5-159.6-128.5 126.4 21.4 -22.3 28.2 56 362 A G E -G 44 0C 0 -12,-2.3 -12,-2.8 -2,-0.4 2,-0.7 -0.792 20.2-127.9-102.8 147.5 18.5 -20.0 29.1 57 363 A M E +GH 43 76C 0 19,-3.0 18,-2.9 -2,-0.3 19,-1.2 -0.887 46.1 169.3 -90.7 116.9 14.9 -20.4 27.9 58 364 A V E -GH 42 74C 0 -16,-2.0 -16,-2.0 -2,-0.7 2,-0.3 -0.911 21.6-169.9-134.1 153.2 14.1 -16.9 26.5 59 365 A I E -GH 41 73C 0 14,-2.5 14,-3.3 -2,-0.3 2,-0.3 -0.945 8.9-156.6-134.0 158.0 11.5 -15.0 24.5 60 366 A R E -G 40 0C 39 -20,-1.9 -20,-2.8 -2,-0.3 2,-0.4 -0.966 18.2-142.5-125.1 151.4 11.0 -11.6 22.8 61 367 A R E -G 39 0C 27 10,-0.3 9,-2.6 -2,-0.3 2,-0.4 -0.917 7.4-161.6-114.6 135.6 7.6 -10.1 22.1 62 368 A S E -G 38 0C 0 -24,-2.7 -24,-2.4 -2,-0.4 3,-0.3 -0.962 7.5-177.0-109.7 133.9 6.4 -8.1 19.1 63 369 A E S S+ 0 0 127 -2,-0.4 6,-0.1 5,-0.4 -1,-0.1 0.365 80.2 57.8-107.4 5.1 3.3 -6.0 19.4 64 370 A D S > S- 0 0 56 4,-0.5 3,-0.9 -26,-0.1 -1,-0.1 -0.184 122.9 -88.6-129.0 39.2 3.3 -4.8 15.8 65 371 A N T 3 S- 0 0 42 -29,-0.3 -28,-0.1 -3,-0.3 -2,-0.1 0.811 90.6 -42.6 62.5 36.7 3.2 -8.0 13.9 66 372 A G T 3 S+ 0 0 4 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.414 111.9 106.2 97.6 -0.2 7.0 -8.6 13.7 67 373 A K S < S+ 0 0 148 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.945 88.5 17.1 -72.9 -53.9 8.2 -5.1 12.8 68 374 A T S S- 0 0 88 -62,-0.0 -4,-0.5 0, 0.0 -5,-0.4 -0.933 70.2-157.0-122.8 150.6 9.7 -4.3 16.3 69 375 A W - 0 0 45 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.961 10.7-133.2-130.8 144.0 10.6 -6.5 19.2 70 376 A G - 0 0 35 -9,-2.6 3,-0.1 -2,-0.3 -1,-0.1 0.029 43.2 -60.8 -83.1-170.5 11.0 -5.9 22.9 71 377 A D - 0 0 144 1,-0.1 -10,-0.3 -11,-0.1 -1,-0.2 -0.323 65.4 -83.7 -72.5 154.4 13.6 -6.9 25.4 72 378 A R - 0 0 78 -12,-0.1 2,-0.5 -3,-0.1 -12,-0.2 -0.303 38.5-157.0 -53.9 134.8 14.5 -10.5 26.2 73 379 A V E -H 59 0C 38 -14,-3.3 -14,-2.5 -3,-0.1 2,-0.6 -0.989 10.7-143.8-115.4 122.5 12.3 -12.1 28.8 74 380 A T E -H 58 0C 52 -2,-0.5 106,-0.3 -16,-0.2 -16,-0.3 -0.783 19.0-179.5 -92.2 120.5 13.9 -15.1 30.5 75 381 A I E S- 0 0 0 -18,-2.9 2,-0.4 -2,-0.6 -1,-0.2 0.946 71.2 -4.3 -75.4 -58.7 11.6 -17.9 31.3 76 382 A T E +H 57 0C 0 -19,-1.2 -19,-3.0 153,-0.1 -1,-0.3 -0.998 56.2 165.1-142.2 134.5 14.1 -20.3 33.0 77 383 A N - 0 0 24 103,-2.9 -21,-0.1 -2,-0.4 2,-0.1 -0.680 23.1-152.3-150.8 98.1 17.8 -20.2 33.6 78 384 A L - 0 0 5 -23,-0.3 104,-0.2 -2,-0.2 105,-0.1 -0.385 29.3-107.0 -67.3 141.1 19.3 -22.6 36.1 79 385 A R - 0 0 60 103,-1.2 -1,-0.1 105,-0.2 2,-0.0 -0.344 35.0-109.6 -71.0 150.3 22.4 -21.4 37.9 80 386 A D - 0 0 81 11,-0.2 11,-0.2 1,-0.1 -1,-0.1 -0.323 32.2-100.6 -74.9 160.2 25.7 -23.0 36.9 81 387 A N > - 0 0 8 9,-2.6 3,-1.3 1,-0.2 -1,-0.1 -0.766 32.7-158.0 -78.0 110.8 27.7 -25.4 39.3 82 388 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.693 88.2 51.7 -69.1 -14.5 30.3 -22.9 40.6 83 389 A K T 3 S+ 0 0 130 118,-0.2 2,-0.2 7,-0.1 -2,-0.0 0.330 77.6 127.6-100.9 4.4 32.6 -25.8 41.5 84 390 A A < - 0 0 15 -3,-1.3 6,-0.1 6,-0.2 118,-0.0 -0.464 55.7-144.8 -68.0 132.6 32.6 -27.6 38.2 85 391 A S S S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.2 5,-0.1 0.850 93.8 39.5 -63.2 -39.9 36.1 -28.2 36.8 86 392 A D > - 0 0 78 1,-0.1 3,-1.5 3,-0.1 -1,-0.2 -0.914 69.4-166.6-116.8 104.0 34.9 -27.7 33.2 87 393 A P G > S+ 0 0 83 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.754 83.7 68.1 -59.0 -27.7 32.4 -24.8 32.9 88 394 A S G 3 S+ 0 0 38 1,-0.3 -38,-0.1 2,-0.1 -36,-0.1 0.689 118.9 23.2 -67.9 -18.9 31.4 -25.7 29.4 89 395 A I G < S+ 0 0 58 -3,-1.5 -1,-0.3 -36,-0.1 31,-0.1 0.043 102.2 98.3-126.4 17.6 29.7 -28.9 30.8 90 396 A G < + 0 0 1 -3,-1.1 -9,-2.6 27,-0.1 -6,-0.2 0.146 65.0 80.3-100.5 17.4 29.3 -27.5 34.3 91 397 A S S S- 0 0 1 27,-0.3 27,-1.0 -11,-0.2 -38,-0.4 -0.975 80.8-111.5-127.1 139.4 25.7 -26.4 34.2 92 398 A P - 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