==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-NOV-10 3PIG . COMPND 2 MOLECULE: BETA-FRUCTOFURANOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM LONGUM; . AUTHOR A.BUJACZ,BUJACZ G.,I.REDZYNIA,M.KRZEPKOWSKA-JEDRZEJCZAK,S.BI . 1049 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 418 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.0 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 . 96 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 12 9 3 0 8 15 10 8 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 . 0 0 2 3 8 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 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 1 A M 0 0 228 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.2 27.0 71.2 109.6 2 2 A T + 0 0 139 1,-0.4 2,-1.0 2,-0.0 3,-0.0 0.485 360.0 143.0 76.6 4.5 26.3 71.6 105.8 3 3 A D - 0 0 76 1,-0.2 -1,-0.4 2,-0.0 166,-0.2 -0.773 58.4-134.7 -70.5 110.7 30.0 71.7 105.2 4 4 A F S S+ 0 0 44 -2,-1.0 165,-2.6 1,-0.3 -1,-0.2 0.677 102.5 47.2 -24.9 -32.9 29.9 69.7 102.0 5 5 A T S S- 0 0 14 163,-0.2 -1,-0.3 165,-0.0 163,-0.2 -0.778 90.5-149.6-124.8 83.3 32.8 67.8 103.5 6 6 A P - 0 0 13 0, 0.0 211,-0.4 0, 0.0 4,-0.1 -0.180 15.5-129.6 -53.4 145.6 31.8 66.9 107.1 7 7 A E S S+ 0 0 152 209,-0.1 208,-0.1 1,-0.1 209,-0.1 0.727 95.3 19.3 -73.3 -23.1 34.7 66.7 109.6 8 8 A T S S- 0 0 106 158,-0.1 -1,-0.1 207,-0.0 158,-0.1 -0.967 104.7 -83.4-141.2 152.7 33.5 63.2 110.8 9 9 A P - 0 0 40 0, 0.0 2,-0.8 0, 0.0 158,-0.2 -0.178 34.6-127.7 -62.1 156.3 31.2 60.8 108.9 10 10 A V B -A 166 0A 55 156,-2.4 156,-2.8 -4,-0.1 2,-0.6 -0.889 26.3-169.8-107.7 107.5 27.4 61.3 109.1 11 11 A L + 0 0 96 -2,-0.8 154,-0.1 154,-0.3 94,-0.0 -0.905 12.4 169.2-107.0 120.7 25.9 57.9 110.1 12 12 A T - 0 0 48 -2,-0.6 94,-2.3 0, 0.0 95,-0.1 -0.677 13.4-166.1-136.6 73.0 22.1 57.7 109.9 13 13 A P B +F 105 0B 94 0, 0.0 92,-0.2 0, 0.0 3,-0.1 -0.394 21.7 156.7 -63.3 136.1 20.7 54.1 110.2 14 14 A I + 0 0 66 90,-3.0 2,-0.3 1,-0.3 91,-0.2 0.476 58.9 42.2-134.6 -14.1 17.0 53.7 109.2 15 15 A R S S- 0 0 96 89,-1.8 2,-0.9 4,-0.0 -1,-0.3 -0.960 84.7-103.7-133.8 155.6 16.7 50.0 108.4 16 16 A D > - 0 0 105 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.703 32.8-161.8 -73.4 105.3 17.9 46.7 109.9 17 17 A H H > S+ 0 0 42 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.908 87.1 53.7 -62.6 -42.5 20.7 45.8 107.4 18 18 A A H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 111.6 45.0 -56.6 -44.6 20.8 42.1 108.4 19 19 A A H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 112.8 50.4 -69.5 -40.7 17.0 41.8 107.7 20 20 A E H X S+ 0 0 32 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.918 111.4 49.6 -60.0 -45.1 17.3 43.7 104.4 21 21 A L H X S+ 0 0 33 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.911 109.0 52.3 -53.3 -47.0 20.2 41.4 103.4 22 22 A A H X S+ 0 0 62 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.886 109.4 48.8 -62.9 -37.9 18.1 38.3 104.3 23 23 A K H X S+ 0 0 107 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.886 111.1 50.3 -67.7 -38.0 15.3 39.6 102.0 24 24 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.905 108.0 53.0 -66.8 -40.2 17.7 40.2 99.2 25 25 A E H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.905 109.5 49.7 -59.0 -45.8 19.1 36.6 99.6 26 26 A A H X S+ 0 0 63 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.865 109.6 50.8 -59.2 -42.1 15.6 35.3 99.3 27 27 A G H X S+ 0 0 12 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.937 112.7 45.3 -63.5 -44.9 14.9 37.4 96.1 28 28 A V H X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.914 111.2 53.1 -64.4 -43.8 18.1 36.1 94.5 29 29 A A H X S+ 0 0 55 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.864 105.2 54.7 -61.5 -35.9 17.4 32.5 95.5 30 30 A E H X S+ 0 0 134 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.939 114.1 41.6 -64.6 -41.9 13.8 32.7 94.0 31 31 A M H >< S+ 0 0 11 -4,-1.8 3,-0.8 42,-0.2 4,-0.5 0.907 112.6 52.4 -71.5 -45.4 15.3 33.7 90.6 32 32 A A H >< S+ 0 0 30 -4,-3.1 3,-1.0 1,-0.2 -1,-0.2 0.880 104.1 60.8 -54.9 -36.8 18.2 31.3 90.8 33 33 A A H 3< S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 114.1 32.0 -64.4 -30.6 15.7 28.5 91.4 34 34 A K T << S+ 0 0 140 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.289 88.6 144.0-108.8 7.2 13.9 29.0 88.1 35 35 A R < - 0 0 33 -3,-1.0 2,-0.6 -4,-0.5 297,-0.2 -0.135 42.4-144.7 -55.3 136.3 16.9 30.1 86.1 36 36 A N - 0 0 71 295,-2.2 3,-0.5 292,-0.2 4,-0.1 -0.924 7.3-159.9 -99.2 123.6 17.1 29.0 82.4 37 37 A N > + 0 0 26 -2,-0.6 3,-0.7 1,-0.2 -1,-0.1 0.382 58.1 110.7 -86.7 5.6 20.8 28.4 81.5 38 38 A R T 3 S+ 0 0 86 1,-0.3 -1,-0.2 293,-0.0 448,-0.1 0.825 99.8 13.1 -51.7 -39.6 20.5 28.7 77.7 39 39 A W T 3 S+ 0 0 3 -3,-0.5 428,-0.3 428,-0.1 -1,-0.3 0.231 96.0 126.2-115.0 5.3 22.5 32.0 77.5 40 40 A Y < - 0 0 3 -3,-0.7 426,-0.3 426,-0.2 296,-0.0 -0.473 68.5-105.2 -71.9 130.0 23.9 31.9 81.1 41 41 A P - 0 0 2 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.323 23.1-164.5 -62.3 139.6 27.8 32.3 81.0 42 42 A K S S+ 0 0 27 345,-0.1 473,-2.3 472,-0.1 474,-0.4 0.750 93.4 16.9 -82.9 -30.3 30.0 29.3 81.7 43 43 A Y S S+ 0 0 4 471,-0.2 2,-0.3 472,-0.1 -1,-0.1 0.141 109.5 80.0-140.5 25.1 33.1 31.4 82.4 44 44 A H S S- 0 0 5 295,-0.1 2,-0.4 0, 0.0 471,-0.1 -0.942 82.6-101.9-126.1 151.7 32.0 35.0 83.0 45 45 A I + 0 0 5 293,-0.3 292,-2.8 -2,-0.3 2,-0.3 -0.602 50.3 151.4 -75.5 125.1 30.6 36.5 86.2 46 46 A A B -G 336 0C 0 -2,-0.4 290,-0.2 290,-0.2 2,-0.1 -0.909 51.3 -88.4-135.5 169.2 26.9 37.0 86.5 47 47 A S - 0 0 1 288,-0.6 3,-0.2 3,-0.4 5,-0.1 -0.476 30.6-128.1 -68.9 151.0 24.5 37.0 89.4 48 48 A N S S+ 0 0 40 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.759 97.6 5.6 -68.1 -22.3 23.1 33.5 90.3 49 49 A G S S+ 0 0 0 -18,-0.1 -1,-0.3 -17,-0.1 284,-0.2 -0.942 112.6 17.9-156.9 139.4 19.7 35.3 90.1 50 50 A G E S-l 333 0D 1 282,-2.2 284,-1.9 -2,-0.3 -3,-0.4 -0.206 86.8 -44.2 98.5 174.9 18.6 38.8 89.0 51 51 A W E -lM 334 72D 24 24,-2.1 21,-2.6 21,-0.8 2,-0.3 -0.556 50.1-173.7 -78.0 137.9 19.9 41.8 87.2 52 52 A I E + M 0 71D 0 282,-2.5 19,-0.2 -2,-0.3 2,-0.1 -0.921 9.6 164.6-122.4 167.5 23.4 43.1 87.6 53 53 A N E + 0 0 10 17,-2.1 266,-0.1 -2,-0.3 249,-0.0 -0.220 47.9 30.7-142.1-125.5 25.3 46.1 86.3 54 54 A D E S- 0 0 12 15,-0.2 16,-2.2 -2,-0.1 -1,-0.3 -0.042 71.5-119.0 -45.6 133.7 28.6 48.0 87.3 55 55 A P E - M 0 69D 1 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.449 42.3-173.8 -65.3 145.3 31.5 46.0 88.7 56 56 A N E + M 0 68D 0 12,-2.5 12,-2.5 28,-0.1 60,-0.3 -0.935 47.5 17.1-138.8 160.5 32.3 47.3 92.2 57 57 A G E S- 0 0 0 58,-1.8 59,-0.2 -2,-0.3 2,-0.1 0.694 72.9-176.0 54.4 27.0 34.8 47.0 95.1 58 58 A L E + 0 0 1 57,-0.3 59,-0.5 10,-0.1 2,-0.3 -0.328 20.6 127.1 -59.1 127.5 37.4 45.3 92.8 59 59 A C E - M 0 66D 6 7,-1.7 7,-2.7 -2,-0.1 2,-0.4 -0.984 57.8-124.2-162.7 168.9 40.5 44.2 94.7 60 60 A F E + M 0 65D 72 -2,-0.3 2,-0.4 248,-0.3 5,-0.3 -0.998 47.1 164.3-115.4 127.3 42.9 41.4 95.6 61 61 A Y E > - M 0 64D 14 3,-3.1 3,-1.6 -2,-0.4 -2,-0.1 -0.982 52.8 -9.4-153.8 131.4 43.0 41.2 99.4 62 62 A K T 3 S- 0 0 109 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.846 131.2 -43.7 48.8 43.7 44.2 38.7 102.1 63 63 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 26,-0.0 -1,-0.3 0.426 119.7 93.8 90.3 2.6 44.9 36.0 99.4 64 64 A R E < -M 61 0D 71 -3,-1.6 -3,-3.1 26,-0.1 2,-0.3 -0.974 67.1-130.0-129.6 150.1 41.7 36.4 97.3 65 65 A W E -MN 60 88D 18 23,-3.1 23,-1.9 -2,-0.4 2,-0.4 -0.695 32.9-161.1 -80.6 136.2 40.4 38.1 94.2 66 66 A H E -MN 59 87D 1 -7,-2.7 -7,-1.7 -2,-0.3 2,-0.4 -0.988 15.5-178.1-127.3 131.8 37.1 39.9 95.0 67 67 A V E + N 0 86D 2 19,-2.4 19,-2.4 -2,-0.4 2,-0.2 -0.992 5.1 178.4-124.6 124.4 34.5 41.1 92.6 68 68 A F E -MN 56 85D 0 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.682 10.0-171.3-109.7 170.3 31.4 42.9 93.8 69 69 A Y E -MN 55 84D 4 15,-1.4 15,-2.7 -14,-0.3 2,-0.2 -0.976 34.2 -92.5-162.4 149.5 28.7 44.3 91.5 70 70 A Q E - 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