==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-09 3JU4 . COMPND 2 MOLECULE: ENDO-N-ACETYLNEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE K1F; . AUTHOR E.C.SCHULZ,P.NEUMAN,R.GERARDY-SCHAHN,G.M.SHELDRICK,R.FICNER . 670 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 62 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 . 4 4 3 12 4 2 4 1 1 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 . 1 2 3 4 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 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 1 241 A V 0 0 187 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.8 51.5 57.9 50.4 2 242 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.365 360.0-145.8 -68.1 149.1 50.6 54.4 49.4 3 243 A R - 0 0 185 -2,-0.0 2,-0.4 14,-0.0 14,-0.0 -0.855 11.8-128.3-110.4 151.3 50.6 53.5 45.7 4 244 A G - 0 0 59 -2,-0.3 2,-0.1 1,-0.0 3,-0.1 -0.727 15.6-137.9 -96.3 148.4 48.2 51.0 44.1 5 245 A S - 0 0 90 -2,-0.4 2,-0.2 1,-0.1 12,-0.1 -0.480 39.8 -78.8 -89.5 171.2 49.3 48.2 42.0 6 246 A A - 0 0 41 11,-0.2 -1,-0.1 1,-0.1 8,-0.1 -0.504 39.4-165.4 -69.2 134.6 47.6 47.1 38.8 7 247 A K - 0 0 125 -2,-0.2 -1,-0.1 5,-0.1 30,-0.1 0.794 10.6-153.0 -93.2 -33.4 44.4 45.1 39.6 8 248 A G + 0 0 9 4,-0.2 29,-0.6 31,-0.1 30,-0.2 0.901 53.9 126.2 60.4 44.7 43.6 43.6 36.2 9 249 A D E S-a 37 0A 78 3,-0.2 29,-0.2 27,-0.1 -1,-0.1 0.266 76.9-116.9-114.8 4.5 39.9 43.3 37.0 10 250 A G E S+ 0 0 27 27,-1.6 28,-0.1 2,-0.2 30,-0.1 0.475 103.5 58.4 73.9 6.4 38.6 45.2 33.9 11 251 A V E S+ 0 0 116 26,-0.2 -1,-0.1 28,-0.1 2,-0.1 0.626 77.6 82.3-133.9 -53.6 37.1 47.9 36.0 12 252 A T E S- 0 0 30 1,-0.1 2,-1.1 2,-0.1 27,-0.7 -0.432 88.8-111.8 -55.3 137.8 39.8 49.7 38.2 13 253 A D E +a 39 0A 86 1,-0.2 3,-0.4 25,-0.1 4,-0.3 -0.643 39.2 179.3 -75.8 102.5 41.6 52.3 36.1 14 254 A D > + 0 0 3 25,-2.4 4,-2.5 -2,-1.1 5,-0.3 0.310 48.1 107.2 -88.9 9.7 45.0 50.6 35.8 15 255 A T H > S+ 0 0 32 24,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.899 79.3 45.7 -56.8 -49.9 46.5 53.4 33.7 16 256 A A H > S+ 0 0 72 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.910 113.9 47.8 -64.9 -43.4 48.7 54.9 36.5 17 257 A A H > S+ 0 0 23 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.885 113.4 47.8 -66.6 -38.3 50.1 51.6 37.7 18 258 A L H X S+ 0 0 12 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.890 110.3 52.2 -68.1 -41.0 50.9 50.4 34.2 19 259 A T H X S+ 0 0 64 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.935 111.2 47.2 -58.8 -44.7 52.6 53.7 33.4 20 260 A S H X S+ 0 0 59 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.908 111.3 50.8 -66.5 -39.1 54.7 53.4 36.5 21 261 A A H X S+ 0 0 37 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.954 111.8 48.0 -61.9 -45.0 55.6 49.8 35.7 22 262 A L H >< S+ 0 0 14 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.915 112.6 48.4 -58.8 -45.0 56.6 50.8 32.1 23 263 A N H 3< S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.6 44.5 -64.6 -30.9 58.7 53.7 33.4 24 264 A D H 3< S+ 0 0 135 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.401 103.7 72.0 -97.0 0.5 60.4 51.5 36.0 25 265 A T S << S- 0 0 44 -3,-0.8 6,-0.0 -4,-0.7 -4,-0.0 -0.917 89.4 -99.4-120.8 144.0 61.2 48.4 33.9 26 266 A P > - 0 0 96 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.298 33.2-120.2 -57.6 146.8 63.8 48.0 31.0 27 267 A V T 3 S+ 0 0 114 1,-0.3 -4,-0.0 -4,-0.1 -2,-0.0 0.734 110.4 56.3 -63.5 -23.9 62.3 48.3 27.5 28 268 A G T 3 S+ 0 0 63 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.580 81.7 105.7 -87.3 -7.7 63.3 44.8 26.6 29 269 A Q S < S- 0 0 113 -3,-1.7 2,-0.8 1,-0.1 -4,-0.1 -0.498 70.5-134.0 -69.6 134.3 61.5 43.1 29.5 30 270 A K - 0 0 126 -2,-0.2 2,-0.6 19,-0.1 19,-0.2 -0.831 20.0-144.8 -86.7 110.7 58.3 41.3 28.4 31 271 A I E -h 49 0B 32 17,-2.9 19,-2.5 -2,-0.8 2,-0.6 -0.694 11.6-144.1 -84.5 116.7 55.7 42.4 31.0 32 272 A N E -h 50 0B 73 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.728 13.4-166.8 -87.9 120.3 53.4 39.4 31.7 33 273 A G > - 0 0 3 17,-2.4 3,-1.9 -2,-0.6 20,-0.2 0.406 35.2-127.0 -84.9 2.2 49.8 40.4 32.4 34 274 A N T 3 - 0 0 112 1,-0.3 18,-0.2 16,-0.3 17,-0.1 0.755 62.2 -65.6 60.6 29.2 48.9 36.9 33.7 35 275 A G T 3 S+ 0 0 34 16,-2.6 -1,-0.3 1,-0.2 17,-0.2 0.540 101.7 134.9 74.3 6.8 46.0 36.6 31.3 36 276 A K < - 0 0 102 -3,-1.9 17,-2.1 15,-0.4 2,-0.5 -0.357 55.8-120.4 -88.1 165.3 44.1 39.5 32.9 37 277 A T E -ab 9 53A 21 -29,-0.6 -27,-1.6 15,-0.2 2,-0.5 -0.934 24.4-160.4-108.1 128.8 42.2 42.4 31.4 38 278 A Y E - b 0 54A 21 15,-2.5 17,-2.1 -2,-0.5 2,-0.4 -0.952 12.0-137.7-116.1 120.8 43.4 45.9 32.4 39 279 A K E +ab 13 55A 50 -27,-0.7 -25,-2.4 -2,-0.5 -24,-0.3 -0.615 31.4 173.9 -78.3 132.3 41.2 49.0 32.0 40 280 A V - 0 0 2 15,-2.2 17,-0.5 -2,-0.4 3,-0.1 -0.946 39.2-138.8-134.9 159.4 43.1 52.0 30.7 41 281 A T S S+ 0 0 75 -2,-0.3 2,-0.3 1,-0.3 15,-0.1 0.624 96.8 11.9 -89.8 -16.8 42.2 55.5 29.5 42 282 A S S S- 0 0 73 14,-0.0 -1,-0.3 0, 0.0 16,-0.0 -0.943 95.3 -95.2-150.1 147.9 44.6 55.3 26.5 43 283 A L - 0 0 61 -2,-0.3 13,-0.0 -3,-0.1 3,-0.0 -0.521 43.3-147.9 -71.0 132.3 46.3 52.2 25.1 44 284 A P - 0 0 33 0, 0.0 2,-1.7 0, 0.0 3,-0.1 -0.038 48.0 -55.0 -81.2-165.1 49.8 52.0 26.5 45 285 A D > - 0 0 79 1,-0.2 3,-2.0 2,-0.1 4,-0.2 -0.545 59.1-175.2 -77.0 87.4 52.9 50.6 24.7 46 286 A I G > S+ 0 0 49 -2,-1.7 3,-2.0 1,-0.3 23,-0.3 0.810 72.1 71.8 -60.7 -31.7 51.3 47.2 23.9 47 287 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.650 90.5 59.9 -57.9 -23.2 54.5 45.9 22.4 48 288 A R G < S+ 0 0 30 -3,-2.0 -17,-2.9 -18,-0.1 2,-0.3 0.470 96.6 76.6 -87.1 -1.0 56.1 45.6 25.9 49 289 A F E < -h 31 0B 4 -3,-2.0 20,-0.6 -19,-0.2 2,-0.3 -0.802 54.7-169.8-111.1 150.8 53.5 43.2 27.2 50 290 A I E S+hi 32 69B 30 -19,-2.5 -17,-2.4 -2,-0.3 -16,-0.3 -0.947 74.7 12.7-124.7 153.9 52.8 39.5 26.7 51 291 A N S S+ 0 0 50 18,-2.0 -16,-2.6 -2,-0.3 -15,-0.4 0.872 97.4 127.2 54.3 43.8 49.7 37.6 27.8 52 292 A T - 0 0 0 17,-0.4 16,-2.8 -17,-0.2 2,-0.4 -0.985 42.5-163.3-134.1 142.0 47.8 40.9 28.5 53 293 A R E -bC 37 67A 31 -17,-2.1 -15,-2.5 -2,-0.4 2,-0.4 -0.979 10.2-156.1-122.2 140.8 44.4 42.2 27.4 54 294 A F E -bC 38 66A 0 12,-2.5 12,-2.3 -2,-0.4 2,-0.4 -0.888 4.3-154.1-108.9 144.8 43.4 45.9 27.6 55 295 A V E +bC 39 65A 9 -17,-2.1 -15,-2.2 -2,-0.4 2,-0.3 -0.987 25.7 166.6-116.7 131.9 39.9 47.3 27.8 56 296 A Y E - C 0 64A 45 8,-2.2 8,-2.1 -2,-0.4 2,-0.8 -0.998 34.3-143.9-148.5 136.4 39.5 50.8 26.5 57 297 A E + 0 0 77 -17,-0.5 8,-0.0 -2,-0.3 -2,-0.0 -0.765 21.3 171.1-104.5 85.5 36.7 53.1 25.6 58 298 A R S S+ 0 0 65 -2,-0.8 -1,-0.2 4,-0.4 -17,-0.0 0.926 87.3 35.1 -54.6 -44.6 38.0 55.1 22.6 59 299 A I S > S- 0 0 54 3,-0.5 3,-2.2 -3,-0.2 -1,-0.2 -0.968 110.6-109.2-105.0 119.4 34.3 56.3 22.4 60 300 A P T 3 S+ 0 0 111 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.281 104.7 23.7 -51.9 133.5 32.8 56.6 25.9 61 301 A G T 3 S+ 0 0 44 1,-0.0 -3,-0.0 -4,-0.0 -4,-0.0 0.352 104.5 89.2 93.3 -4.2 30.3 53.9 26.5 62 302 A Q < - 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