==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-12 3VSS . COMPND 2 MOLECULE: BETA-FRUCTOFURANOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER; . AUTHOR T.TONOZUKA,A.TAMAKI,G.YOKOI,T.MIYAZAKI,M.ICHIKAWA,A.NISHIKAW . 494 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 0.2 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 . 39 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 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 RESIDUES PER ALPHA HELIX . 1 2 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 . 8 4 3 3 0 2 2 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 1 3 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 39 A G 0 0 115 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.7 29.4 -14.1 -3.9 2 40 A L - 0 0 91 37,-0.0 35,-0.2 3,-0.0 2,-0.1 -0.891 360.0-137.9-110.1 125.5 28.9 -10.5 -5.2 3 41 A Q - 0 0 89 33,-2.4 35,-0.1 -2,-0.5 33,-0.0 -0.455 46.4 -86.9 -64.1 147.0 27.1 -9.4 -8.3 4 42 A D S S+ 0 0 131 -2,-0.1 -1,-0.1 32,-0.0 0, 0.0 -0.315 77.8 114.7 -54.9 140.2 29.0 -6.7 -10.2 5 43 A G - 0 0 12 -3,-0.1 282,-0.1 31,-0.0 28,-0.1 -0.956 63.1 -31.7 177.3-171.4 28.1 -3.2 -8.9 6 44 A P - 0 0 2 0, 0.0 30,-0.1 0, 0.0 275,-0.0 -0.254 58.4-113.6 -62.8 148.5 29.5 -0.2 -7.2 7 45 A E - 0 0 83 1,-0.1 275,-0.3 275,-0.1 25,-0.1 -0.560 40.3-102.5 -72.0 147.5 32.3 -0.4 -4.6 8 46 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 22,-0.1 -0.365 42.2 -92.6 -68.4 155.6 31.2 0.6 -1.0 9 47 A T - 0 0 25 377,-0.2 2,-0.6 270,-0.1 272,-0.1 -0.431 42.6-111.6 -64.3 138.7 32.1 4.0 0.4 10 48 A I - 0 0 118 -2,-0.1 2,-0.4 270,-0.1 -1,-0.1 -0.662 37.6-170.8 -77.2 120.4 35.4 4.0 2.3 11 49 A H - 0 0 17 -2,-0.6 370,-0.1 1,-0.1 369,-0.1 -0.935 16.4-162.0-113.5 141.4 34.7 4.5 6.0 12 50 A T - 0 0 80 -2,-0.4 368,-0.1 2,-0.1 3,-0.1 0.678 22.6-139.7 -96.1 -20.5 37.5 5.2 8.5 13 51 A Q + 0 0 27 366,-2.2 361,-2.5 1,-0.2 367,-0.1 0.488 44.3 163.0 67.9 4.1 35.6 4.4 11.8 14 52 A Q - 0 0 113 365,-0.2 365,-1.5 359,-0.1 -1,-0.2 -0.288 35.6-125.6 -54.8 130.5 37.5 7.4 13.3 15 53 A A B -A 378 0A 50 363,-0.2 363,-0.3 359,-0.2 2,-0.3 -0.525 25.7-170.5 -79.9 146.2 35.9 8.7 16.5 16 54 A Y - 0 0 72 361,-3.2 361,-0.5 -2,-0.2 360,-0.1 -0.784 37.4 -82.1-122.4 171.7 34.9 12.3 17.0 17 55 A A > - 0 0 34 -2,-0.3 3,-1.8 1,-0.1 5,-0.2 -0.551 38.8-120.5 -72.6 140.5 33.7 14.3 20.0 18 56 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 290,-0.1 0.779 116.0 51.8 -51.0 -27.6 30.0 13.7 20.9 19 57 A E T 3 S+ 0 0 86 303,-0.1 291,-0.0 358,-0.1 -2,-0.0 0.612 86.1 109.2 -87.3 -14.4 29.6 17.5 20.5 20 58 A D S < S- 0 0 69 -3,-1.8 -4,-0.1 1,-0.1 0, 0.0 -0.177 74.7-126.8 -58.1 153.5 31.3 17.6 17.0 21 59 A D + 0 0 138 301,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.339 65.9 129.2 -89.0 8.5 29.0 18.3 14.0 22 60 A F - 0 0 52 -5,-0.2 2,-0.5 301,-0.1 -6,-0.1 -0.464 37.3-170.7 -65.3 127.6 30.3 15.3 12.1 23 61 A T - 0 0 23 -2,-0.3 303,-0.2 354,-0.1 302,-0.2 -0.982 17.0-135.4-123.4 118.2 27.5 13.0 10.8 24 62 A A E -b 326 0B 1 301,-1.7 303,-2.3 -2,-0.5 2,-0.5 -0.416 20.6-137.4 -67.2 146.9 28.3 9.6 9.3 25 63 A K E -b 327 0B 64 301,-0.2 2,-0.9 355,-0.2 303,-0.2 -0.920 13.6-154.0-113.0 132.6 26.6 8.7 6.1 26 64 A W - 0 0 1 301,-2.5 355,-0.1 -2,-0.5 361,-0.0 -0.914 43.1-153.6 -92.4 101.2 25.1 5.4 5.2 27 65 A T > - 0 0 2 -2,-0.9 4,-3.1 253,-0.1 252,-0.2 -0.209 28.6-114.7 -85.5 167.5 25.6 6.1 1.4 28 66 A R H > S+ 0 0 2 250,-2.1 4,-2.3 2,-0.2 251,-0.2 0.903 121.0 53.9 -61.2 -40.1 23.8 5.0 -1.7 29 67 A A H 4 S+ 0 0 0 250,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.928 111.9 45.8 -57.8 -45.6 27.1 3.2 -2.7 30 68 A D H >4 S+ 0 0 0 249,-0.2 3,-1.8 1,-0.2 4,-0.4 0.960 112.6 48.2 -57.5 -56.6 26.9 1.5 0.7 31 69 A A H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 4,-0.4 0.795 101.1 65.6 -61.5 -30.3 23.2 0.6 0.4 32 70 A R T >X S+ 0 0 43 -4,-2.3 4,-1.5 1,-0.2 3,-0.5 0.675 83.2 76.3 -67.5 -14.5 23.7 -0.8 -3.1 33 71 A Q H <> S+ 0 0 4 -3,-1.8 4,-2.2 -4,-0.4 -1,-0.2 0.833 83.9 67.1 -60.7 -31.5 25.9 -3.5 -1.5 34 72 A L H <> S+ 0 0 0 -3,-1.4 4,-0.5 -4,-0.4 -1,-0.2 0.887 102.5 43.8 -54.2 -43.2 22.6 -5.1 -0.4 35 73 A Q H X4 S+ 0 0 76 -3,-0.5 3,-0.6 -4,-0.4 -1,-0.2 0.861 109.6 57.1 -73.5 -35.4 21.7 -5.9 -4.1 36 74 A R H 3< S+ 0 0 25 -4,-1.5 -33,-2.4 1,-0.2 -2,-0.2 0.884 106.9 48.8 -59.4 -40.5 25.3 -7.1 -4.8 37 75 A M H 3< S+ 0 0 26 -4,-2.2 -1,-0.2 -35,-0.2 2,-0.2 0.620 94.4 98.2 -73.4 -16.1 24.9 -9.7 -2.0 38 76 A S S << S- 0 0 7 -3,-0.6 -35,-0.2 -4,-0.5 11,-0.2 -0.518 78.2-125.3 -78.5 142.4 21.5 -10.8 -3.4 39 77 A D > - 0 0 69 9,-2.3 3,-1.3 -2,-0.2 359,-0.2 -0.787 16.2-158.8 -86.3 111.9 21.3 -13.9 -5.6 40 78 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 0.686 88.1 55.5 -68.6 -13.3 19.6 -12.8 -8.8 41 79 A T T 3 S+ 0 0 112 7,-0.1 -2,-0.0 2,-0.0 7,-0.0 0.494 72.1 133.2 -96.2 -5.3 18.6 -16.3 -9.7 42 80 A A < - 0 0 6 -3,-1.3 3,-0.1 6,-0.1 6,-0.1 -0.205 55.1-126.3 -51.4 125.5 16.7 -17.1 -6.5 43 81 A P > - 0 0 70 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.204 41.3 -62.1 -73.7 166.2 13.4 -18.7 -7.4 44 82 A S T 3 S+ 0 0 53 1,-0.3 367,-0.2 354,-0.1 3,-0.1 -0.156 121.5 8.9 -45.9 133.3 9.9 -17.6 -6.2 45 83 A R T 3 S+ 0 0 92 365,-3.1 2,-0.3 1,-0.2 -1,-0.3 0.428 102.2 115.5 73.9 2.3 9.4 -17.8 -2.4 46 84 A E S < S- 0 0 113 -3,-2.1 -1,-0.2 364,-0.3 366,-0.2 -0.785 74.4-104.7 -99.4 149.8 13.1 -18.5 -1.7 47 85 A N - 0 0 42 -2,-0.3 349,-0.3 1,-0.1 4,-0.1 -0.489 26.9-170.3 -68.8 133.2 15.4 -16.2 0.2 48 86 A S + 0 0 5 347,-2.9 -9,-2.3 -2,-0.2 348,-0.2 0.548 60.7 87.9-100.1 -11.0 17.8 -14.4 -2.1 49 87 A M S S- 0 0 8 346,-0.7 -11,-0.1 -11,-0.2 5,-0.1 -0.494 93.8 -86.8 -89.8 157.4 19.9 -13.0 0.7 50 88 A P > - 0 0 44 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.362 32.4-129.9 -64.5 142.4 22.9 -14.8 2.3 51 89 A A G > S+ 0 0 56 1,-0.2 3,-1.6 2,-0.2 416,-0.1 0.816 103.7 66.2 -61.9 -31.7 21.9 -17.1 5.1 52 90 A S G 3 S+ 0 0 56 1,-0.3 415,-2.0 414,-0.1 -1,-0.2 0.694 110.0 36.4 -66.8 -20.2 24.5 -15.6 7.5 53 91 A V G < S+ 0 0 3 -3,-1.3 339,-3.1 413,-0.2 2,-0.5 0.082 102.8 94.1-116.8 20.3 22.6 -12.2 7.4 54 92 A T B < S-f 392 0C 4 -3,-1.6 339,-0.2 337,-0.2 3,-0.1 -0.961 76.9-120.9-117.2 126.7 19.1 -13.7 7.3 55 93 A M - 0 0 1 337,-2.7 3,-0.1 -2,-0.5 -2,-0.1 -0.384 42.7 -99.0 -57.4 133.7 16.9 -14.4 10.4 56 94 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.230 50.7 -89.0 -52.5 146.7 16.0 -18.1 10.7 57 95 A T - 0 0 76 -3,-0.1 419,-0.1 336,-0.1 336,-0.0 -0.456 39.1-138.0 -70.1 129.4 12.5 -18.8 9.4 58 96 A V - 0 0 3 -2,-0.2 4,-0.1 -3,-0.1 -1,-0.1 -0.744 23.2-111.0 -89.8 128.2 9.7 -18.5 12.0 59 97 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 377,-0.0 -0.309 14.1-138.3 -56.2 136.8 7.0 -21.2 12.0 60 98 A Q S S+ 0 0 69 1,-0.2 2,-1.2 2,-0.0 376,-0.1 0.713 96.8 72.8 -70.2 -23.2 3.6 -20.0 10.9 61 99 A D S S+ 0 0 149 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.759 76.8 161.8 -91.3 87.5 2.1 -22.0 13.7 62 100 A F - 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