==== 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 25-JUL-05 2AEY . COMPND 2 MOLECULE: FRUCTAN 1-EXOHYDROLASE IIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CICHORIUM INTYBUS; . AUTHOR M.VERHAEST,K.LE ROY,C.J.DE RANTER,A.VAN LAERE,W.VAN DEN ENDE . 537 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 194 36.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 50 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 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 . 3 4 3 5 4 5 4 4 0 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 1 1 3 1 1 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 2 A Q 0 0 173 0, 0.0 2,-0.4 0, 0.0 501,-0.2 0.000 360.0 360.0 360.0 146.2 42.1 66.3 -13.1 2 3 A I - 0 0 79 499,-1.2 2,-0.3 501,-0.0 501,-0.0 -0.983 360.0-149.5-128.6 128.4 38.4 65.0 -12.9 3 4 A E S S+ 0 0 176 -2,-0.4 498,-0.0 1,-0.2 0, 0.0 -0.700 75.7 11.1 -99.5 148.1 35.2 66.7 -14.0 4 5 A Q S > S+ 0 0 89 -2,-0.3 3,-0.9 1,-0.1 -1,-0.2 0.936 70.4 174.4 54.8 52.7 31.7 66.3 -12.5 5 6 A P T 3 + 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.521 68.9 54.2 -66.5 -7.7 33.1 64.4 -9.4 6 7 A Y T 3 S+ 0 0 13 471,-0.1 472,-0.5 472,-0.1 2,-0.1 0.619 75.9 105.7-106.4 -13.1 29.7 64.4 -7.7 7 8 A R S < S- 0 0 59 -3,-0.9 302,-0.0 470,-0.1 2,-0.0 -0.441 72.5-117.3 -67.9 142.2 27.4 62.8 -10.3 8 9 A T - 0 0 18 3,-0.1 -1,-0.1 1,-0.1 469,-0.1 -0.256 10.4-147.2 -76.3 166.0 26.5 59.2 -9.4 9 10 A G S S+ 0 0 5 520,-0.1 521,-2.9 3,-0.0 -1,-0.1 0.767 93.5 13.1-103.3 -36.0 27.4 56.1 -11.4 10 11 A Y S S+ 0 0 2 519,-0.2 2,-0.4 2,-0.1 521,-0.1 0.301 102.2 97.3-126.5 10.8 24.5 53.9 -10.8 11 12 A H S S- 0 0 0 301,-0.1 2,-0.1 519,-0.1 -3,-0.1 -0.826 79.9-106.5-100.3 141.1 21.9 56.1 -9.2 12 13 A F + 0 0 5 -2,-0.4 298,-1.9 299,-0.3 -2,-0.1 -0.423 54.7 143.3 -67.3 135.4 19.1 57.6 -11.3 13 14 A Q - 0 0 7 296,-0.2 296,-0.1 -2,-0.1 295,-0.1 -0.876 48.2-101.1-171.6 137.0 19.4 61.3 -12.1 14 15 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.200 41.3-101.6 -62.5 154.3 18.6 63.5 -15.1 15 16 A P S S- 0 0 60 0, 0.0 2,-0.3 0, 0.0 517,-0.0 0.789 94.5 -28.6 -41.9 -41.1 21.4 64.8 -17.5 16 17 A S S S+ 0 0 48 2,-0.1 290,-0.2 291,-0.0 289,-0.1 -0.964 98.5 48.9-169.3 171.9 21.3 68.1 -15.8 17 18 A N E S-a 306 0A 30 288,-2.1 290,-2.0 -2,-0.3 2,-0.3 -0.278 84.9 -27.7 83.1-166.2 19.2 70.6 -13.9 18 19 A W E +aB 307 39A 40 24,-1.6 21,-1.5 21,-0.7 2,-0.3 -0.636 52.6 169.5 -93.4 144.9 16.9 70.2 -10.9 19 20 A M E + B 0 38A 0 288,-1.3 19,-0.2 -2,-0.3 2,-0.1 -0.991 7.8 143.1-147.6 149.4 14.9 67.2 -9.8 20 21 A N E + 0 0 10 17,-1.4 17,-0.1 1,-0.4 272,-0.1 -0.388 48.8 46.9-148.9-128.6 12.9 66.2 -6.7 21 22 A D E S- 0 0 16 15,-0.2 16,-2.3 -2,-0.1 -1,-0.4 0.138 73.2-128.5 -27.2 118.7 9.7 64.2 -5.8 22 23 A P E - B 0 36A 1 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.516 34.7-144.3 -72.3 152.1 9.8 60.9 -7.8 23 24 A N E - B 0 35A 0 12,-5.0 12,-1.5 1,-0.2 61,-0.2 -0.911 42.2 -24.1-131.2 155.7 6.5 60.5 -9.7 24 25 A G E - 0 0 0 59,-1.8 2,-0.2 -2,-0.3 -1,-0.2 0.709 66.4-170.5 18.1 67.6 3.9 58.0 -10.9 25 26 A P E + 0 0 2 0, 0.0 60,-0.3 0, 0.0 2,-0.3 -0.550 17.9 148.4 -79.1 151.0 6.2 54.9 -10.9 26 27 A M E - B 0 33A 10 7,-1.5 7,-2.8 -2,-0.2 2,-0.6 -0.983 48.0-120.0-171.9 165.4 4.7 51.9 -12.5 27 28 A L E + B 0 32A 15 252,-0.4 2,-0.5 -2,-0.3 5,-0.2 -0.933 37.3 171.3-120.2 105.0 5.2 48.7 -14.5 28 29 A Y E > - B 0 31A 13 3,-2.1 3,-1.6 -2,-0.6 -2,-0.1 -0.964 63.6 -20.0-122.6 124.4 3.3 48.7 -17.8 29 30 A Q T 3 S- 0 0 138 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.914 126.2 -47.9 48.8 54.9 3.6 46.1 -20.5 30 31 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.454 117.7 106.1 72.0 0.7 7.0 44.8 -19.4 31 32 A V E < -B 28 0A 5 -3,-1.6 -3,-2.1 88,-0.1 2,-0.5 -0.922 64.6-134.5-117.9 140.5 8.5 48.3 -19.0 32 33 A Y E -BC 27 56A 13 24,-2.8 24,-2.0 -2,-0.4 2,-0.4 -0.776 22.6-159.0 -91.1 129.9 9.3 50.2 -15.9 33 34 A H E -BC 26 55A 1 -7,-2.8 -7,-1.5 -2,-0.5 2,-0.4 -0.886 10.7-178.4-110.4 139.2 8.3 53.8 -16.0 34 35 A F E - C 0 54A 0 20,-1.8 20,-1.5 -2,-0.4 2,-0.3 -0.999 1.5-176.4-137.7 139.2 9.7 56.6 -13.8 35 36 A F E -BC 23 53A 1 -12,-1.5 -12,-5.0 -2,-0.4 2,-0.3 -0.947 4.4-171.1-132.2 152.0 8.7 60.2 -13.6 36 37 A Y E -BC 22 52A 6 16,-0.9 16,-3.7 -2,-0.3 2,-0.2 -1.000 34.9 -98.9-147.3 146.5 10.2 63.1 -11.6 37 38 A Q E - C 0 51A 3 -16,-2.3 -17,-1.4 -2,-0.3 2,-0.4 -0.460 53.7-172.6 -62.2 127.5 9.5 66.7 -10.7 38 39 A Y E -BC 19 50A 38 12,-3.0 12,-2.6 -2,-0.2 -19,-0.2 -0.972 32.6-157.1-134.0 142.6 11.7 68.7 -13.1 39 40 A N E > -B 18 0A 5 -21,-1.5 3,-1.0 -2,-0.4 -21,-0.7 -0.838 12.5-168.4-114.6 89.5 12.7 72.3 -13.7 40 41 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.482 80.0 53.3 -57.9 -0.7 13.7 72.3 -17.3 41 42 A Y T 3 S+ 0 0 179 7,-0.3 2,-0.2 3,-0.1 -24,-0.1 0.732 110.7 2.7-112.6 -22.7 15.2 75.8 -16.8 42 43 A A < - 0 0 38 -3,-1.0 -24,-1.6 2,-0.2 -3,-0.2 -0.793 66.3-102.0-147.6-170.5 17.7 75.8 -13.9 43 44 A A S S+ 0 0 9 -26,-0.3 2,-0.3 -2,-0.2 263,-0.2 -0.066 99.6 62.3-110.5 30.8 19.5 73.9 -11.2 44 45 A T S S- 0 0 31 -5,-0.1 -2,-0.2 -26,-0.1 -26,-0.2 -0.974 101.0 -75.9-149.0 158.3 17.1 75.1 -8.5 45 46 A F - 0 0 101 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.168 59.4-175.9 -53.7 152.2 13.4 74.9 -7.8 46 47 A G - 0 0 19 -4,-0.1 -1,-0.1 -28,-0.0 3,-0.0 -0.855 42.3 -97.9-145.6 179.8 11.4 77.2 -10.0 47 48 A D S S+ 0 0 152 -2,-0.2 2,-0.5 1,-0.2 -2,-0.1 0.510 109.2 57.9 -81.3 -4.0 8.0 78.6 -10.9 48 49 A V + 0 0 49 31,-0.1 2,-0.5 2,-0.0 -7,-0.3 -0.947 64.9 173.2-131.7 112.3 7.6 76.1 -13.7 49 50 A I + 0 0 0 -2,-0.5 31,-3.2 29,-0.3 -10,-0.2 -0.966 3.5 178.8-124.0 122.5 7.8 72.4 -12.9 50 51 A I E -C 38 0A 14 -12,-2.6 -12,-3.0 -2,-0.5 2,-0.7 -0.561 36.5 -93.7-111.5 178.0 7.1 69.6 -15.4 51 52 A W E -C 37 0A 0 18,-2.4 17,-1.7 -14,-0.2 18,-0.3 -0.832 34.6-146.2 -97.1 113.1 7.2 65.8 -15.2 52 53 A G E -C 36 0A 1 -16,-3.7 -16,-0.9 -2,-0.7 2,-0.3 -0.377 16.9-153.9 -70.6 159.5 10.4 64.2 -16.3 53 54 A H E +CD 35 65A 0 12,-0.6 12,-2.4 -18,-0.2 2,-0.3 -0.993 22.9 153.7-141.0 143.2 10.2 60.9 -18.0 54 55 A A E -CD 34 64A 0 -20,-1.5 -20,-1.8 -2,-0.3 2,-0.3 -0.939 22.4-144.5-165.4 144.6 12.5 57.9 -18.4 55 56 A V E -CD 33 63A 1 8,-2.2 8,-1.8 -2,-0.3 2,-0.3 -0.832 12.8-179.7-119.7 157.3 12.2 54.1 -19.0 56 57 A S E -CD 32 62A 4 -24,-2.0 -24,-2.8 -2,-0.3 6,-0.2 -0.995 28.0-151.8-150.6 148.8 14.0 51.0 -17.9 57 58 A Y S S+ 0 0 151 4,-0.6 5,-0.1 -2,-0.3 -1,-0.1 0.455 104.7 18.7 -97.5 -2.0 13.7 47.2 -18.5 58 59 A D S S- 0 0 46 3,-0.4 -1,-0.1 -26,-0.1 4,-0.1 0.216 100.4-109.7-153.2 18.6 15.3 46.5 -15.1 59 60 A L S S+ 0 0 2 2,-0.2 3,-0.1 1,-0.1 271,-0.1 0.504 108.9 69.1 61.5 2.4 15.2 49.6 -12.8 60 61 A V S S+ 0 0 5 1,-0.3 2,-0.6 252,-0.1 -1,-0.1 0.801 90.7 46.8-113.1 -51.5 18.9 50.0 -13.2 61 62 A N S S- 0 0 50 469,-0.1 -4,-0.6 -49,-0.0 -3,-0.4 -0.883 77.8-168.2 -99.8 118.9 19.7 51.0 -16.8 62 63 A W E -De 56 532A 5 469,-1.2 471,-2.0 -2,-0.6 2,-0.4 -0.574 25.4-148.5-112.5 170.9 17.6 53.9 -18.1 63 64 A I E -De 55 533A 38 -8,-1.8 -8,-2.2 469,-0.2 2,-0.2 -0.955 23.2-137.0-136.0 112.2 16.6 55.8 -21.1 64 65 A H E -De 54 534A 6 469,-2.3 471,-1.9 -2,-0.4 -10,-0.3 -0.517 25.7-173.1 -72.7 132.8 15.7 59.5 -20.8 65 66 A L E -D 53 0A 2 -12,-2.4 -12,-0.6 -2,-0.2 471,-0.2 -0.643 35.9 -76.3-116.8 174.7 12.6 60.6 -22.7 66 67 A D - 0 0 60 469,-0.4 -1,-0.1 -2,-0.2 470,-0.0 -0.401 70.0 -78.8 -67.5 152.4 11.0 64.0 -23.4 67 68 A P - 0 0 44 0, 0.0 -15,-0.2 0, 0.0 3,-0.1 -0.210 45.3-157.1 -53.4 139.9 9.0 65.3 -20.4 68 69 A A S S+ 0 0 5 -17,-1.7 2,-0.7 1,-0.3 56,-0.4 0.967 70.8 33.1 -85.1 -69.6 5.6 63.6 -20.2 69 70 A I S S+ 0 0 1 -18,-0.3 -18,-2.4 -17,-0.1 -1,-0.3 -0.849 71.2 155.7 -98.5 116.1 3.2 65.7 -18.3 70 71 A Y - 0 0 101 -2,-0.7 2,-0.1 -20,-0.2 -20,-0.1 -0.933 53.4 -75.4-134.6 156.7 3.6 69.5 -18.7 71 72 A P + 0 0 37 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.318 63.7 141.1 -56.3 120.7 1.3 72.4 -18.3 72 73 A T + 0 0 81 1,-0.3 2,-0.3 -2,-0.1 5,-0.1 0.519 58.9 43.6-132.5 -30.0 -1.1 72.6 -21.3 73 74 A Q S > S- 0 0 51 1,-0.1 3,-2.4 3,-0.0 -1,-0.3 -0.810 89.5-100.3-122.0 165.2 -4.4 73.6 -19.9 74 75 A E G > S+ 0 0 92 1,-0.3 3,-2.2 -2,-0.3 28,-0.6 0.896 113.8 71.1 -45.1 -51.3 -5.7 76.1 -17.4 75 76 A A G 3 S+ 0 0 2 55,-0.3 -1,-0.3 1,-0.3 32,-0.2 0.527 119.9 15.6 -48.0 -5.7 -6.0 73.4 -14.7 76 77 A D G < S+ 0 0 0 -3,-2.4 -1,-0.3 23,-0.2 -2,-0.2 0.113 79.8 133.3-159.5 32.2 -2.2 73.3 -14.6 77 78 A S S < S+ 0 0 55 -3,-2.2 24,-0.2 1,-0.2 3,-0.1 0.755 76.9 45.8 -60.6 -29.7 -0.9 76.4 -16.3 78 79 A K S S- 0 0 89 22,-2.7 -29,-0.3 1,-0.3 2,-0.3 0.812 127.5 -33.4 -85.6 -32.6 1.7 77.4 -13.6 79 80 A S E -F 100 0B 1 21,-0.6 21,-1.9 -3,-0.2 2,-0.7 -0.931 46.9-119.4-179.8 158.9 3.2 73.9 -13.0 80 81 A C E -F 99 0B 0 -31,-3.2 19,-0.2 -2,-0.3 3,-0.1 -0.928 41.3-169.6-113.7 102.9 2.5 70.2 -12.9 81 82 A W E - 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