==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-05 2AEZ . COMPND 2 MOLECULE: FRUCTAN 1-EXOHYDROLASE IIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CICHORIUM INTYBUS; . AUTHOR M.VERHAEST,W.LAMMENS,K.LE ROY,C.J.DE RANTER,A.VAN LAERE,W.VA . 536 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 64.9 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 . 195 36.4 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 . 56 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 . 1 7 2 2 5 5 4 3 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 . 3 0 1 3 1 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 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 3 A I 0 0 115 0, 0.0 2,-0.1 0, 0.0 501,-0.0 0.000 360.0 360.0 360.0 83.2 38.4 63.8 -12.8 2 4 A E + 0 0 180 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.414 360.0 6.3 -70.5 141.9 35.5 65.7 -14.4 3 5 A Q S > S+ 0 0 71 1,-0.1 3,-0.9 -2,-0.1 -1,-0.2 0.959 73.5 179.9 49.7 62.5 32.2 65.6 -12.6 4 6 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.438 73.3 52.6 -73.7 0.5 33.5 63.9 -9.5 5 7 A Y T 3 S+ 0 0 14 471,-0.1 472,-0.6 472,-0.1 2,-0.1 0.489 77.0 111.6-114.3 -5.7 30.1 63.9 -7.8 6 8 A R S < S- 0 0 63 -3,-0.9 2,-0.1 470,-0.1 6,-0.0 -0.434 71.0-118.4 -67.0 142.0 27.9 62.3 -10.5 7 9 A T - 0 0 14 469,-0.1 469,-0.1 1,-0.1 -1,-0.1 -0.483 12.1-148.5 -80.3 155.6 26.6 58.9 -9.4 8 10 A G S S+ 0 0 7 -2,-0.1 521,-2.7 1,-0.1 -1,-0.1 0.698 91.0 12.6 -97.2 -23.9 27.6 55.9 -11.6 9 11 A Y S S+ 0 0 3 519,-0.2 2,-0.3 2,-0.1 521,-0.1 0.176 101.6 97.2-140.4 20.3 24.5 53.7 -11.1 10 12 A H S S- 0 0 0 519,-0.1 2,-0.2 301,-0.1 300,-0.1 -0.817 80.1 -99.8-106.5 150.4 21.8 55.9 -9.5 11 13 A F + 0 0 5 298,-0.5 298,-1.5 -2,-0.3 -2,-0.1 -0.500 57.0 141.3 -74.2 138.6 19.1 57.6 -11.5 12 14 A Q - 0 0 7 -2,-0.2 296,-0.1 296,-0.2 295,-0.1 -0.907 50.2 -98.9-170.3 142.6 19.6 61.2 -12.4 13 15 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.226 43.0-100.7 -65.4 159.6 18.9 63.4 -15.5 14 16 A P S S- 0 0 52 0, 0.0 2,-0.3 0, 0.0 519,-0.0 0.795 97.6 -31.2 -49.0 -29.4 21.7 64.2 -17.9 15 17 A S S S+ 0 0 47 2,-0.1 290,-0.2 291,-0.1 26,-0.1 -0.972 98.6 49.7-174.1 177.5 21.7 67.6 -16.1 16 18 A N E S-a 305 0A 29 288,-2.5 290,-2.5 -2,-0.3 2,-0.4 -0.201 86.5 -23.4 76.4-164.0 19.7 70.2 -14.2 17 19 A W E +aB 306 38A 38 24,-2.2 21,-1.8 21,-0.9 2,-0.3 -0.684 53.9 170.0 -91.9 136.4 17.4 70.0 -11.3 18 20 A M E + B 0 37A 0 288,-1.9 19,-0.2 -2,-0.4 2,-0.1 -0.996 8.6 146.3-141.1 138.8 15.4 66.9 -10.3 19 21 A N E + 0 0 10 17,-2.1 272,-0.1 -2,-0.3 17,-0.1 -0.228 47.0 41.1-137.8-127.9 13.3 66.2 -7.3 20 22 A D E S- 0 0 16 15,-0.2 16,-2.7 -2,-0.1 -1,-0.3 0.127 73.2-124.4 -31.1 120.7 10.2 64.3 -6.4 21 23 A P E - B 0 35A 1 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.522 35.6-148.5 -70.4 141.5 10.0 60.9 -8.2 22 24 A N E - B 0 34A 0 12,-3.2 12,-1.2 -2,-0.2 61,-0.2 -0.894 46.6 -21.6-123.7 148.9 6.7 60.8 -10.2 23 25 A G E - 0 0 0 59,-1.7 60,-0.2 -2,-0.3 -1,-0.2 0.755 67.8-168.2 28.9 56.4 4.1 58.2 -11.3 24 26 A P E + 0 0 2 0, 0.0 60,-0.3 0, 0.0 2,-0.3 -0.448 20.7 149.5 -68.9 143.4 6.4 55.1 -11.1 25 27 A M E - B 0 32A 6 7,-1.8 7,-3.3 252,-0.1 2,-0.6 -0.979 47.9-126.9-169.4 157.5 4.8 52.1 -12.8 26 28 A L E + B 0 31A 14 252,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.956 38.5 172.7-112.8 112.4 5.4 48.9 -14.6 27 29 A Y E > - B 0 30A 12 3,-2.7 3,-2.3 -2,-0.6 -2,-0.1 -0.975 60.7 -21.1-130.0 127.3 3.4 48.9 -17.9 28 30 A Q T 3 S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 126.8 -50.5 50.1 40.7 3.4 46.4 -20.7 29 31 A G T 3 S+ 0 0 49 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.323 116.8 109.0 84.2 -8.5 6.9 45.2 -19.7 30 32 A V E < -B 27 0A 3 -3,-2.3 -3,-2.7 88,-0.1 2,-0.7 -0.875 64.5-136.5-106.9 132.2 8.5 48.6 -19.4 31 33 A Y E -BC 26 55A 11 24,-3.6 24,-1.7 -2,-0.5 2,-0.5 -0.772 24.9-156.0 -84.8 117.0 9.4 50.2 -16.1 32 34 A H E -BC 25 54A 2 -7,-3.3 -7,-1.8 -2,-0.7 2,-0.4 -0.826 13.6-178.4-100.1 129.6 8.3 53.8 -16.3 33 35 A F E + C 0 53A 0 20,-2.6 20,-1.7 -2,-0.5 2,-0.3 -0.975 1.5 178.3-124.9 142.5 9.9 56.5 -14.2 34 36 A F E -BC 22 52A 0 -12,-1.2 -12,-3.2 -2,-0.4 2,-0.3 -0.893 5.5-171.5-134.4 163.2 9.0 60.2 -14.1 35 37 A Y E -BC 21 51A 4 16,-1.1 16,-3.5 -14,-0.3 2,-0.2 -0.972 35.7 -96.3-162.1 145.0 10.4 63.1 -12.0 36 38 A Q E - C 0 50A 3 -16,-2.7 -17,-2.1 -2,-0.3 2,-0.3 -0.414 57.1-178.8 -57.9 123.5 9.9 66.7 -11.0 37 39 A Y E -BC 18 49A 34 12,-2.8 12,-2.9 -19,-0.2 -19,-0.2 -0.982 34.1-156.1-138.8 143.3 12.2 68.5 -13.4 38 40 A N E > -B 17 0A 6 -21,-1.8 3,-1.0 -2,-0.3 -21,-0.9 -0.926 10.6-164.2-116.3 102.5 13.4 72.1 -14.2 39 41 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.478 83.5 51.6 -64.7 -2.6 14.6 72.1 -17.9 40 42 A Y T 3 S+ 0 0 172 7,-0.2 2,-0.3 3,-0.2 -24,-0.1 0.577 110.7 4.6-116.8 -8.9 16.4 75.4 -17.3 41 43 A A < - 0 0 31 -3,-1.0 -24,-2.2 2,-0.2 -3,-0.2 -0.935 64.0-104.4-159.8-178.4 18.6 75.2 -14.2 42 44 A A S S+ 0 0 4 -26,-0.3 2,-0.3 -2,-0.3 263,-0.2 -0.283 102.0 73.1-107.2 39.6 20.2 73.2 -11.3 43 45 A T S S- 0 0 31 -5,-0.2 -26,-0.2 -26,-0.1 -2,-0.2 -0.988 98.6 -87.9-151.6 147.5 17.6 75.0 -9.1 44 46 A F - 0 0 99 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.193 54.1-164.2 -52.6 151.6 13.9 74.7 -8.6 45 47 A G - 0 0 19 -4,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.737 36.8-106.9-133.2-177.7 12.1 76.9 -11.1 46 48 A D S S+ 0 0 152 -2,-0.2 2,-0.6 1,-0.2 -2,-0.1 0.697 112.5 57.8 -81.5 -21.2 8.7 78.5 -11.8 47 49 A V + 0 0 49 31,-0.1 2,-0.5 2,-0.0 -7,-0.2 -0.897 68.4 172.5-115.9 99.7 8.3 76.0 -14.6 48 50 A I + 0 0 0 -2,-0.6 31,-3.1 29,-0.3 2,-0.2 -0.934 7.1 178.9-110.2 125.3 8.5 72.4 -13.3 49 51 A I E -C 37 0A 17 -12,-2.9 -12,-2.8 -2,-0.5 2,-0.7 -0.679 35.5 -93.2-117.9 173.3 7.7 69.6 -15.8 50 52 A W E -C 36 0A 0 18,-3.0 17,-1.8 -2,-0.2 18,-0.5 -0.809 35.3-147.9 -92.9 113.2 7.6 65.8 -15.6 51 53 A G E -C 35 0A 2 -16,-3.5 -16,-1.1 -2,-0.7 2,-0.4 -0.389 16.4-149.2 -73.0 158.2 10.9 64.2 -16.7 52 54 A H E +CD 34 64A 0 12,-0.6 12,-2.1 -18,-0.2 2,-0.3 -0.979 24.1 158.3-136.3 146.2 10.5 60.8 -18.3 53 55 A A E -CD 33 63A 0 -20,-1.7 -20,-2.6 -2,-0.4 2,-0.3 -0.967 18.8-151.5-159.5 150.8 12.7 57.6 -18.6 54 56 A V E +CD 32 62A 2 8,-2.0 8,-2.6 -2,-0.3 2,-0.3 -0.926 13.8 175.4-129.2 155.1 12.1 54.0 -19.3 55 57 A S E -CD 31 61A 2 -24,-1.7 -24,-3.6 -2,-0.3 6,-0.1 -0.994 31.6-152.8-155.4 156.1 13.9 50.8 -18.3 56 58 A Y S S+ 0 0 142 4,-0.6 5,-0.1 -2,-0.3 -1,-0.1 0.437 103.3 22.0-107.5 -2.8 13.6 47.0 -18.5 57 59 A D S S- 0 0 45 3,-0.4 4,-0.1 -26,-0.1 274,-0.1 0.298 98.1-113.8-146.9 8.7 15.5 46.4 -15.3 58 60 A L S S+ 0 0 1 2,-0.3 3,-0.1 1,-0.1 271,-0.1 0.602 106.4 69.1 63.9 11.3 15.3 49.4 -13.0 59 61 A V S S+ 0 0 5 1,-0.3 2,-0.6 252,-0.1 -1,-0.1 0.673 91.0 48.3-123.6 -44.3 19.1 49.9 -13.4 60 62 A N S S- 0 0 49 469,-0.2 -4,-0.6 471,-0.0 -3,-0.4 -0.915 75.2-166.2-106.0 124.0 19.7 50.9 -17.0 61 63 A W E -De 55 531A 7 469,-1.6 471,-1.6 -2,-0.6 2,-0.5 -0.792 22.9-147.2-117.3 153.6 17.6 53.7 -18.3 62 64 A I E -De 54 532A 38 -8,-2.6 -8,-2.0 -2,-0.3 2,-0.3 -0.972 26.9-136.0-113.0 119.9 16.7 55.4 -21.6 63 65 A H E -De 53 533A 4 469,-3.2 471,-2.8 -2,-0.5 -10,-0.2 -0.607 26.7-176.2 -78.1 132.2 16.0 59.2 -21.2 64 66 A L E -D 52 0A 2 -12,-2.1 -12,-0.6 -2,-0.3 471,-0.2 -0.640 32.9 -85.4-118.8 176.6 13.0 60.5 -23.0 65 67 A D - 0 0 68 469,-0.3 -1,-0.1 -2,-0.2 470,-0.0 -0.414 66.4 -73.0 -77.5 162.1 11.4 63.9 -23.6 66 68 A P - 0 0 39 0, 0.0 -15,-0.2 0, 0.0 -1,-0.2 -0.094 39.5-161.9 -53.4 155.5 9.1 65.2 -20.9 67 69 A A S S+ 0 0 3 -17,-1.8 2,-0.5 1,-0.3 56,-0.5 0.794 74.4 35.0-106.6 -47.5 5.7 63.6 -20.6 68 70 A I + 0 0 0 -18,-0.5 -18,-3.0 11,-0.1 -1,-0.3 -0.956 69.8 144.5-117.5 120.3 3.6 66.0 -18.6 69 71 A Y - 0 0 112 -2,-0.5 -20,-0.1 -20,-0.2 7,-0.1 -0.971 61.2 -63.2-147.9 154.0 4.2 69.7 -19.0 70 72 A P + 0 0 40 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.129 67.0 137.5 -46.1 121.5 1.9 72.7 -19.0 71 73 A T + 0 0 80 1,-0.0 2,-0.3 0, 0.0 5,-0.1 0.148 62.1 50.3-148.8 10.2 -0.6 72.5 -21.9 72 74 A Q S > S- 0 0 42 1,-0.1 3,-0.5 0, 0.0 -1,-0.0 -0.880 82.7-115.2-142.5 174.2 -3.8 73.6 -20.1 73 75 A E G > S+ 0 0 78 -2,-0.3 28,-1.3 1,-0.2 3,-0.8 0.794 115.1 68.9 -81.5 -27.1 -5.0 76.3 -17.9 74 76 A A G 3 S+ 0 0 1 1,-0.3 32,-0.2 26,-0.2 -1,-0.2 0.560 123.1 11.8 -65.4 -9.4 -5.4 73.6 -15.3 75 77 A D G X S+ 0 0 0 -3,-0.5 3,-0.7 23,-0.2 -1,-0.3 0.100 85.5 132.9-154.7 24.7 -1.6 73.3 -15.2 76 78 A S T < S+ 0 0 49 -3,-0.8 24,-0.2 1,-0.2 -2,-0.1 0.762 78.4 42.2 -51.1 -33.8 -0.6 76.5 -17.1 77 79 A K T 3 S- 0 0 84 22,-3.1 -29,-0.3 1,-0.3 2,-0.2 0.685 126.6 -30.6 -92.0 -22.3 2.0 77.4 -14.4 78 80 A S E < -F 99 0B 0 21,-0.7 21,-2.2 -3,-0.7 2,-0.6 -0.872 44.4-123.6 172.4 155.9 3.6 74.0 -13.6 79 81 A C E -F 98 0B 0 -31,-3.1 19,-0.2 -2,-0.2 2,-0.1 -0.926 37.3-175.5-118.0 105.3 3.1 70.3 -13.3 80 82 A W E - 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