==== 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 3PIJ . COMPND 2 MOLECULE: BETA-FRUCTOFURANOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM LONGUM; . AUTHOR A.BUJACZ,G.BUJACZ,I.REDZYNIA,M.KRZEPKOWSKA-JEDRZEJCZAK,S.BIE . 1049 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 66.6 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 . 421 40.1 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 . 12 1.1 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 . 100 9.5 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 . 44 4.2 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 6 4 0 9 16 8 9 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 9 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 1 A M 0 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.2 27.0 72.8 108.7 2 2 A T + 0 0 131 3,-0.0 167,-0.0 167,-0.0 0, 0.0 0.555 360.0 128.6 -96.1 -15.4 25.7 72.2 105.2 3 3 A D - 0 0 93 1,-0.1 166,-0.1 2,-0.1 167,-0.1 -0.076 69.1-122.8 -39.4 140.8 29.3 72.4 104.0 4 4 A F S S+ 0 0 37 1,-0.2 165,-2.6 164,-0.1 -1,-0.1 0.430 91.6 65.7 -92.3 4.6 29.7 69.3 101.9 5 5 A T S S- 0 0 21 163,-0.2 -1,-0.2 165,-0.0 163,-0.2 -0.800 75.8-148.9-121.1 86.9 32.7 67.6 103.6 6 6 A P - 0 0 19 0, 0.0 211,-0.4 0, 0.0 4,-0.1 -0.244 15.4-131.9 -54.4 141.8 31.7 66.5 107.2 7 7 A E S S+ 0 0 161 1,-0.1 208,-0.1 209,-0.1 209,-0.0 0.790 96.6 16.6 -61.4 -32.0 34.6 66.4 109.8 8 8 A T S S- 0 0 105 158,-0.1 -1,-0.1 208,-0.0 158,-0.1 -0.970 104.3 -82.9-142.9 151.4 33.3 62.9 110.8 9 9 A P - 0 0 40 0, 0.0 2,-0.7 0, 0.0 158,-0.2 -0.175 34.7-129.9 -59.3 150.6 31.0 60.5 108.9 10 10 A V B -A 166 0A 54 156,-2.0 156,-3.1 -4,-0.1 2,-0.5 -0.925 25.6-168.4-106.1 106.2 27.2 61.0 109.2 11 11 A L + 0 0 94 -2,-0.7 154,-0.1 154,-0.3 153,-0.0 -0.900 12.9 169.1-102.8 121.5 25.8 57.6 110.1 12 12 A T - 0 0 48 -2,-0.5 94,-2.6 0, 0.0 95,-0.2 -0.684 12.7-167.0-139.2 76.6 21.9 57.4 109.9 13 13 A P B +F 105 0B 92 0, 0.0 92,-0.3 0, 0.0 3,-0.1 -0.434 20.4 159.0 -70.8 140.2 20.5 53.9 110.1 14 14 A I + 0 0 68 90,-3.0 2,-0.3 1,-0.3 91,-0.2 0.486 60.2 41.4-134.6 -13.3 16.8 53.4 109.1 15 15 A R S S- 0 0 100 89,-1.7 2,-0.8 0, 0.0 -1,-0.3 -0.956 84.9-102.0-135.6 156.7 16.5 49.7 108.4 16 16 A D > - 0 0 105 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.675 32.9-160.8 -74.2 105.7 17.7 46.4 109.8 17 17 A H H > S+ 0 0 41 -2,-0.8 4,-3.0 1,-0.2 5,-0.2 0.927 87.4 52.5 -62.1 -44.5 20.6 45.5 107.4 18 18 A A H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.918 112.1 46.3 -56.8 -44.1 20.7 41.8 108.3 19 19 A A H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 112.2 49.7 -68.5 -41.1 16.9 41.5 107.6 20 20 A E H X S+ 0 0 31 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.924 112.5 48.8 -62.6 -42.0 17.2 43.5 104.3 21 21 A L H X S+ 0 0 31 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.929 109.4 52.5 -59.2 -42.2 20.1 41.1 103.3 22 22 A A H X S+ 0 0 63 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.909 109.0 49.5 -63.7 -43.2 18.0 38.1 104.2 23 23 A K H X S+ 0 0 108 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.874 111.0 50.2 -60.2 -39.1 15.2 39.4 102.0 24 24 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.876 107.6 52.7 -68.5 -39.4 17.6 39.9 99.1 25 25 A E H X S+ 0 0 75 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.915 109.3 50.0 -59.9 -43.7 19.0 36.4 99.5 26 26 A A H X S+ 0 0 64 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.861 110.7 50.3 -63.7 -37.2 15.5 35.0 99.3 27 27 A G H X S+ 0 0 12 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.933 113.0 44.5 -65.6 -47.9 14.8 37.1 96.1 28 28 A V H X S+ 0 0 3 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.911 111.4 54.0 -62.1 -45.1 18.0 35.9 94.4 29 29 A A H X S+ 0 0 54 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.871 105.3 53.5 -58.2 -37.3 17.3 32.3 95.4 30 30 A E H X S+ 0 0 134 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.943 113.3 43.3 -65.1 -43.0 13.8 32.4 93.8 31 31 A M H >< S+ 0 0 9 -4,-1.8 3,-0.7 42,-0.2 4,-0.4 0.925 113.1 51.6 -68.5 -44.5 15.3 33.6 90.5 32 32 A A H >< S+ 0 0 29 -4,-3.2 3,-1.2 1,-0.2 -1,-0.2 0.876 103.1 60.4 -52.6 -40.6 18.2 31.1 90.7 33 33 A A H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 115.5 32.5 -65.6 -24.7 15.7 28.2 91.3 34 34 A K T << S+ 0 0 137 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.279 87.4 142.1-112.8 8.6 13.9 28.8 88.0 35 35 A R < - 0 0 40 -3,-1.2 2,-0.6 -4,-0.4 297,-0.2 -0.186 43.9-143.0 -62.9 136.9 16.9 30.0 85.9 36 36 A N - 0 0 72 295,-2.5 3,-0.4 292,-0.2 4,-0.1 -0.910 8.7-161.1 -95.6 124.8 17.1 28.9 82.3 37 37 A N + 0 0 54 -2,-0.6 3,-0.5 1,-0.2 -1,-0.1 0.339 57.6 110.7 -89.8 10.1 20.8 28.3 81.4 38 38 A R S S+ 0 0 89 1,-0.3 -1,-0.2 293,-0.0 448,-0.1 0.839 100.0 14.2 -54.4 -37.4 20.5 28.5 77.6 39 39 A W S S+ 0 0 4 -3,-0.4 -1,-0.3 428,-0.1 428,-0.2 0.254 95.6 127.5-115.5 6.7 22.5 31.8 77.4 40 40 A Y - 0 0 2 -3,-0.5 426,-0.2 426,-0.2 -3,-0.0 -0.483 67.7-106.1 -72.6 131.5 23.9 31.7 80.9 41 41 A P - 0 0 2 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.269 22.8-164.3 -61.2 137.0 27.8 32.2 80.9 42 42 A K S S+ 0 0 25 345,-0.2 473,-2.2 472,-0.1 474,-0.4 0.728 92.3 16.1 -82.3 -29.1 29.9 29.2 81.6 43 43 A Y S S+ 0 0 5 471,-0.2 2,-0.3 472,-0.1 470,-0.1 0.205 109.5 81.6-140.3 20.7 33.1 31.3 82.3 44 44 A H S S- 0 0 6 295,-0.1 2,-0.5 0, 0.0 471,-0.1 -0.904 82.8-101.9-122.1 156.4 31.9 34.9 82.9 45 45 A I + 0 0 5 293,-0.3 292,-2.8 -2,-0.3 2,-0.3 -0.627 50.1 152.5 -83.1 122.9 30.6 36.3 86.1 46 46 A A B -G 336 0C 0 -2,-0.5 290,-0.2 290,-0.2 289,-0.1 -0.910 50.7 -90.4-131.9 166.6 26.8 36.8 86.4 47 47 A S - 0 0 1 288,-0.6 3,-0.2 3,-0.3 5,-0.1 -0.466 31.1-127.3 -67.6 154.7 24.4 36.8 89.3 48 48 A N S S+ 0 0 44 1,-0.3 2,-0.3 -2,-0.1 -13,-0.1 0.719 97.7 7.0 -70.1 -20.7 23.0 33.4 90.2 49 49 A G S S+ 0 0 0 -18,-0.1 -1,-0.3 -17,-0.1 284,-0.2 -0.948 113.7 14.5-157.4 135.4 19.6 35.0 90.0 50 50 A G E S-l 333 0D 1 282,-2.9 284,-1.8 -2,-0.3 -3,-0.3 -0.179 86.7 -41.5 98.4 171.9 18.6 38.6 88.9 51 51 A W E -lM 334 72D 23 24,-2.1 21,-2.6 21,-0.8 2,-0.3 -0.579 49.6-176.0 -74.5 135.6 19.9 41.6 87.1 52 52 A I E + M 0 71D 0 282,-2.2 19,-0.2 -2,-0.3 2,-0.1 -0.919 8.2 166.9-120.3 168.0 23.4 42.9 87.6 53 53 A N E + 0 0 11 17,-1.9 266,-0.1 -2,-0.3 249,-0.0 -0.210 48.5 29.6-139.7-123.4 25.2 45.9 86.3 54 54 A D E S- 0 0 14 15,-0.1 16,-2.0 -2,-0.1 -1,-0.3 -0.008 71.0-118.9 -49.7 137.3 28.6 47.7 87.2 55 55 A P E - M 0 69D 1 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.476 43.8-175.8 -70.0 143.3 31.5 45.8 88.6 56 56 A N E + M 0 68D 0 12,-2.7 12,-2.5 28,-0.1 60,-0.3 -0.940 46.2 19.1-136.8 163.1 32.2 47.1 92.1 57 57 A G E S- 0 0 0 58,-1.9 59,-0.2 -2,-0.3 2,-0.1 0.744 73.3-176.2 55.5 25.5 34.6 46.8 95.0 58 58 A L E + 0 0 1 57,-0.3 59,-0.5 9,-0.1 2,-0.3 -0.347 19.2 126.6 -64.0 130.0 37.2 45.1 92.9 59 59 A C E - M 0 66D 5 7,-1.8 7,-3.2 -2,-0.1 2,-0.4 -0.986 57.0-123.3-164.2 167.8 40.3 44.0 94.7 60 60 A F E + M 0 65D 71 -2,-0.3 2,-0.3 248,-0.3 5,-0.2 -0.998 47.5 161.8-115.4 129.4 42.8 41.3 95.6 61 61 A Y E > - M 0 64D 16 3,-2.5 3,-1.6 -2,-0.4 -2,-0.1 -0.974 53.1 -5.7-157.3 132.1 42.8 41.0 99.4 62 62 A K T 3 S- 0 0 108 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.819 131.2 -46.3 49.3 45.1 43.9 38.4 102.1 63 63 A G T 3 S+ 0 0 45 1,-0.2 2,-0.3 26,-0.0 -1,-0.3 0.520 119.1 96.8 85.7 4.5 44.7 35.8 99.4 64 64 A R E < -M 61 0D 69 -3,-1.6 -3,-2.5 26,-0.1 2,-0.3 -0.990 66.9-130.0-127.9 148.0 41.5 36.2 97.3 65 65 A W E -MN 60 88D 18 23,-3.1 23,-1.8 -2,-0.3 2,-0.4 -0.676 33.8-161.2 -79.0 136.4 40.3 37.9 94.1 66 66 A H E -MN 59 87D 1 -7,-3.2 -7,-1.8 -2,-0.3 2,-0.5 -0.984 15.7-177.9-126.8 136.8 37.0 39.7 94.9 67 67 A V E - N 0 86D 2 19,-2.4 19,-2.6 -2,-0.4 2,-0.3 -0.992 3.7-179.9-128.1 121.8 34.4 41.0 92.5 68 68 A F E -MN 56 85D 0 -12,-2.5 -12,-2.7 -2,-0.5 2,-0.3 -0.699 9.3-172.2-105.5 170.4 31.3 42.8 93.7 69 69 A Y E -MN 55 84D 4 15,-1.4 15,-2.7 -14,-0.3 -15,-0.1 -0.967 34.6 -93.0-161.3 148.6 28.6 44.1 91.4 70 70 A Q E - 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