==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-09 3GVJ . COMPND 2 MOLECULE: ENDO-N-ACETYLNEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE K1F; . AUTHOR E.C.SCHULZ,A.DICKMANNS,R.FICNER . 670 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 50.7 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 . 55 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 6.9 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 . 3 4 3 11 5 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 0 183 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.5 51.4 57.6 50.7 2 242 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.399 360.0-127.1 -67.2 140.7 50.5 54.2 49.5 3 243 A R - 0 0 209 -2,-0.1 2,-0.1 1,-0.1 14,-0.0 -0.754 11.6 -95.1-101.3 155.4 50.6 53.2 45.8 4 244 A G - 0 0 61 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.421 27.3-173.6 101.9 50.6 49.1 52.0 43.3 5 245 A S - 0 0 74 -2,-0.1 2,-0.3 13,-0.0 12,-0.1 -0.860 36.0-103.7-112.0 146.8 49.2 48.4 42.0 6 246 A A - 0 0 42 -2,-0.3 8,-0.1 1,-0.2 7,-0.0 -0.566 29.2-170.8 -69.7 127.4 47.5 47.1 38.8 7 247 A K - 0 0 114 -2,-0.3 -1,-0.2 5,-0.1 30,-0.1 0.765 13.1-153.9 -87.5 -35.0 44.4 45.2 39.5 8 248 A G + 0 0 9 4,-0.2 29,-0.7 31,-0.1 30,-0.2 0.917 53.4 125.5 57.2 43.0 43.7 43.7 36.1 9 249 A D E S-a 37 0A 74 3,-0.2 29,-0.2 27,-0.1 -1,-0.1 0.301 76.8-117.6-111.1 6.1 39.9 43.4 36.8 10 250 A G E S+ 0 0 22 27,-1.5 28,-0.1 2,-0.2 30,-0.1 0.473 104.0 59.3 68.9 5.2 38.7 45.3 33.8 11 251 A V E S+ 0 0 110 26,-0.2 2,-0.2 28,-0.1 -1,-0.1 0.632 78.8 82.2-131.8 -42.3 37.1 48.0 35.9 12 252 A T E S- 0 0 58 1,-0.1 2,-1.0 2,-0.0 27,-0.6 -0.523 89.0-112.4 -64.6 133.6 39.8 49.6 38.1 13 253 A D E +a 39 0A 85 -2,-0.2 3,-0.4 1,-0.2 4,-0.2 -0.596 38.7 178.5 -71.8 103.6 41.7 52.2 36.1 14 254 A D > + 0 0 3 25,-2.1 4,-2.1 -2,-1.0 5,-0.3 0.317 46.3 108.5 -92.5 8.5 45.1 50.7 35.9 15 255 A T H > S+ 0 0 31 24,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 79.4 45.3 -55.9 -49.2 46.6 53.5 33.8 16 256 A A H > S+ 0 0 69 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.903 112.6 49.1 -62.9 -45.6 48.8 54.9 36.5 17 257 A A H > S+ 0 0 17 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 113.1 46.9 -62.5 -44.2 50.1 51.6 37.7 18 258 A L H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.881 110.6 52.7 -67.6 -38.5 51.0 50.4 34.2 19 259 A T H X S+ 0 0 68 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.939 110.8 47.4 -59.2 -46.0 52.7 53.7 33.5 20 260 A S H X S+ 0 0 32 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.922 112.2 50.6 -58.2 -50.7 54.8 53.4 36.6 21 261 A A H X S+ 0 0 37 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.900 111.1 47.4 -58.0 -43.0 55.6 49.8 35.7 22 262 A L H < S+ 0 0 17 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.910 112.8 49.4 -66.6 -38.1 56.7 50.8 32.2 23 263 A N H < S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.811 115.6 43.5 -68.3 -30.8 58.8 53.6 33.5 24 264 A D H < S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.545 103.2 73.8 -92.3 -16.5 60.5 51.4 36.0 25 265 A T S < S- 0 0 42 -4,-1.1 6,-0.0 -3,-0.4 0, 0.0 -0.825 89.3 -98.7-102.6 144.0 61.2 48.3 33.9 26 266 A P > - 0 0 93 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.298 32.8-121.4 -54.2 137.8 63.8 47.9 31.2 27 267 A V T 3 S+ 0 0 116 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.762 109.5 55.4 -59.7 -26.8 62.4 48.3 27.7 28 268 A G T 3 S+ 0 0 67 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.577 83.4 104.7 -83.6 -7.9 63.4 44.9 26.6 29 269 A Q S < S- 0 0 114 -3,-1.7 2,-0.7 1,-0.1 -4,-0.1 -0.513 70.9-133.1 -69.6 134.3 61.6 43.1 29.4 30 270 A K - 0 0 124 -2,-0.2 2,-0.6 19,-0.1 19,-0.2 -0.845 19.8-142.9 -87.6 114.2 58.3 41.4 28.4 31 271 A I E -h 49 0B 31 17,-2.9 19,-2.4 -2,-0.7 2,-0.6 -0.697 11.8-143.6 -84.4 115.8 55.8 42.4 31.0 32 272 A N E -h 50 0B 72 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.742 13.8-167.6 -88.6 118.1 53.5 39.5 31.7 33 273 A G > - 0 0 2 17,-2.3 3,-1.6 -2,-0.6 20,-0.1 0.412 35.2-128.4 -81.9 -0.8 49.9 40.5 32.3 34 274 A N T 3 - 0 0 112 1,-0.3 18,-0.2 16,-0.2 17,-0.1 0.742 63.2 -63.4 57.3 30.2 49.0 37.0 33.6 35 275 A G T 3 S+ 0 0 35 16,-2.5 -1,-0.3 1,-0.2 17,-0.2 0.551 102.1 134.8 76.1 9.5 46.1 36.7 31.2 36 276 A K < - 0 0 102 -3,-1.6 17,-1.9 15,-0.4 2,-0.5 -0.338 55.5-120.1 -91.4 164.5 44.2 39.5 32.8 37 277 A T E -ab 9 53A 21 -29,-0.7 -27,-1.5 15,-0.2 2,-0.5 -0.960 24.6-160.3-110.7 126.3 42.3 42.5 31.4 38 278 A Y E - b 0 54A 19 15,-2.5 17,-2.0 -2,-0.5 2,-0.3 -0.916 10.3-140.8-112.7 117.6 43.5 46.0 32.3 39 279 A K E +ab 13 55A 54 -27,-0.6 -25,-2.1 -2,-0.5 2,-0.3 -0.594 30.7 171.0 -75.1 132.0 41.3 49.0 32.0 40 280 A V - 0 0 3 15,-2.0 17,-0.4 -2,-0.3 3,-0.1 -0.939 41.4-134.1-138.2 160.1 43.2 52.1 30.7 41 281 A T S S+ 0 0 76 -2,-0.3 2,-0.3 1,-0.3 15,-0.1 0.599 96.8 9.6 -88.6 -15.7 42.4 55.6 29.5 42 282 A S S S- 0 0 73 14,-0.0 -1,-0.3 -3,-0.0 16,-0.0 -0.944 94.4 -91.7-154.6 153.1 44.7 55.3 26.6 43 283 A L - 0 0 59 -2,-0.3 13,-0.0 -3,-0.1 2,-0.0 -0.503 42.9-148.2 -69.8 132.8 46.5 52.4 25.1 44 284 A P - 0 0 34 0, 0.0 2,-1.6 0, 0.0 3,-0.1 -0.104 47.2 -58.4 -86.8-172.9 50.0 52.0 26.5 45 285 A D > - 0 0 78 1,-0.2 3,-1.8 2,-0.1 4,-0.2 -0.562 58.8-175.8 -69.1 85.7 53.1 50.7 24.7 46 286 A I G > S+ 0 0 49 -2,-1.6 3,-2.0 1,-0.3 23,-0.3 0.799 71.2 72.5 -59.9 -28.0 51.4 47.3 23.9 47 287 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.660 89.7 61.3 -63.8 -13.8 54.6 45.9 22.4 48 288 A R G < S+ 0 0 31 -3,-1.8 -17,-2.9 -18,-0.1 2,-0.3 0.478 95.9 80.1 -93.3 -1.5 56.1 45.7 25.9 49 289 A F E < -h 31 0B 5 -3,-2.0 20,-0.7 -19,-0.2 2,-0.3 -0.792 53.2-169.9-111.9 144.3 53.5 43.3 27.1 50 290 A I E S+hi 32 69B 28 -19,-2.4 -17,-2.3 -2,-0.3 -16,-0.2 -0.948 74.6 9.2-120.3 150.2 52.9 39.6 26.8 51 291 A N S S+ 0 0 50 18,-1.8 -16,-2.5 -2,-0.3 -15,-0.4 0.857 97.7 128.6 54.8 45.8 49.8 37.7 27.8 52 292 A T - 0 0 0 17,-0.3 16,-2.5 -17,-0.2 2,-0.4 -0.978 42.2-164.2-134.9 140.5 47.8 40.9 28.4 53 293 A R E -bC 37 67A 30 -17,-1.9 -15,-2.5 -2,-0.3 2,-0.3 -0.982 10.9-155.5-123.1 138.5 44.5 42.3 27.3 54 294 A F E -bC 38 66A 0 12,-2.5 12,-2.5 -2,-0.4 2,-0.4 -0.884 4.9-151.6-109.8 142.6 43.5 46.0 27.6 55 295 A V E +bC 39 65A 10 -17,-2.0 -15,-2.0 -2,-0.3 2,-0.3 -0.985 26.6 168.0-115.4 127.9 40.0 47.4 27.8 56 296 A Y E - C 0 64A 44 8,-2.1 8,-2.1 -2,-0.4 2,-0.8 -0.998 33.0-146.9-146.7 133.0 39.7 50.9 26.4 57 297 A E + 0 0 78 -17,-0.4 -2,-0.0 -2,-0.3 8,-0.0 -0.794 20.0 171.7-105.0 86.1 36.9 53.2 25.5 58 298 A R S S+ 0 0 66 -2,-0.8 -1,-0.2 4,-0.4 -17,-0.0 0.922 86.2 35.4 -54.9 -44.8 38.1 55.2 22.6 59 299 A I S > S- 0 0 55 3,-0.4 3,-2.1 -3,-0.2 -1,-0.2 -0.967 110.5-107.8-107.0 123.8 34.6 56.4 22.4 60 300 A P T 3 S+ 0 0 111 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.283 104.7 24.4 -58.8 132.5 33.1 56.8 25.8 61 301 A G T 3 S+ 0 0 43 -4,-0.0 -3,-0.0 0, 0.0 -4,-0.0 0.351 104.6 88.7 95.4 -4.7 30.5 54.1 26.4 62 302 A Q < - 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