==== 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-MAR-04 1ST8 . COMPND 2 MOLECULE: FRUCTAN 1-EXOHYDROLASE IIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CICHORIUM INTYBUS; . AUTHOR M.VERHAEST,W.VAN DEN ENDE,C.J.DE RANTER,A.VAN LAERE,A.RABIJN . 537 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 64.1 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 . 4 0.7 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 . 52 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 3.2 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 . 2 6 3 2 4 4 4 3 3 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 0 3 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 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 0 147 0, 0.0 2,-0.4 0, 0.0 501,-0.2 0.000 360.0 360.0 360.0 113.2 41.3 66.6 -12.7 2 3 A I - 0 0 81 499,-3.0 2,-0.3 498,-0.1 501,-0.1 -0.684 360.0-123.4 -86.5 133.2 38.3 64.2 -12.8 3 4 A E S S- 0 0 158 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.594 82.4 -10.4 -80.2 136.3 35.2 65.5 -14.5 4 5 A Q S > S+ 0 0 75 -2,-0.3 3,-1.4 1,-0.1 -1,-0.2 0.898 71.5 178.4 43.0 58.3 31.9 65.6 -12.6 5 6 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.673 74.5 56.8 -63.2 -16.2 33.3 63.5 -9.7 6 7 A Y T 3 S+ 0 0 19 471,-0.1 472,-0.7 472,-0.1 2,-0.1 0.577 78.8 104.5 -93.6 -10.0 29.9 63.8 -7.9 7 8 A R S < S- 0 0 64 -3,-1.4 2,-0.1 470,-0.1 6,-0.0 -0.462 74.0-120.1 -69.5 145.2 27.7 62.3 -10.6 8 9 A T - 0 0 17 469,-0.1 469,-0.1 3,-0.1 -1,-0.1 -0.454 8.4-146.2 -85.9 160.8 26.7 58.8 -9.7 9 10 A G S S+ 0 0 8 353,-0.2 521,-2.8 -2,-0.1 -1,-0.1 0.726 93.6 12.0 -97.7 -26.4 27.4 55.7 -11.7 10 11 A Y S S+ 0 0 3 519,-0.2 2,-0.3 2,-0.1 521,-0.1 0.241 100.1 98.0-137.7 16.0 24.3 53.6 -11.1 11 12 A H S S- 0 0 0 519,-0.1 2,-0.2 301,-0.1 -3,-0.1 -0.800 79.0-102.7-102.1 149.0 21.7 55.9 -9.5 12 13 A F + 0 0 5 -2,-0.3 298,-1.5 299,-0.2 -2,-0.1 -0.514 56.8 140.1 -74.4 137.5 19.0 57.5 -11.5 13 14 A Q - 0 0 7 -2,-0.2 296,-0.1 296,-0.2 295,-0.1 -0.921 49.9-101.5-168.5 146.9 19.4 61.2 -12.4 14 15 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.223 43.2 -97.7 -70.4 166.8 18.8 63.2 -15.6 15 16 A P S S- 0 0 59 0, 0.0 2,-0.3 0, 0.0 519,-0.0 0.880 96.7 -33.8 -52.0 -37.7 21.6 64.3 -18.0 16 17 A S S S+ 0 0 47 2,-0.1 290,-0.2 291,-0.0 289,-0.1 -0.953 96.9 55.1-166.6-176.6 21.6 67.6 -16.1 17 18 A N E S-a 306 0A 34 288,-2.7 290,-2.1 -2,-0.3 26,-0.3 -0.116 85.8 -29.5 73.4-170.2 19.6 70.3 -14.3 18 19 A W E +aB 307 39A 41 24,-2.2 21,-2.0 21,-0.6 2,-0.4 -0.611 51.9 173.0 -89.3 139.5 17.3 70.0 -11.3 19 20 A M E + B 0 38A 0 288,-2.0 19,-0.2 -2,-0.3 2,-0.1 -0.998 7.6 153.5-141.3 133.2 15.2 67.0 -10.3 20 21 A N E + 0 0 12 17,-2.1 272,-0.1 -2,-0.4 253,-0.0 -0.048 48.9 35.9-125.8-122.4 13.2 66.4 -7.2 21 22 A D E S- 0 0 16 15,-0.2 16,-2.6 1,-0.1 -1,-0.3 0.143 70.3-123.5 -37.7 133.8 10.1 64.2 -6.5 22 23 A P E - B 0 36A 0 0, 0.0 2,-0.4 0, 0.0 14,-0.3 -0.607 36.4-157.2 -77.0 142.6 9.7 60.8 -8.2 23 24 A N E - B 0 35A 0 12,-3.3 12,-1.6 -2,-0.2 61,-0.2 -0.958 48.9 -14.6-129.7 147.9 6.4 60.8 -10.1 24 25 A G E - 0 0 0 59,-2.2 60,-0.2 -2,-0.4 -1,-0.1 0.720 68.8-172.9 38.3 42.7 4.0 58.2 -11.4 25 26 A P E + 0 0 2 0, 0.0 60,-0.4 0, 0.0 2,-0.3 -0.337 20.9 141.4 -61.2 145.4 6.3 55.1 -11.1 26 27 A M E - B 0 33A 7 7,-1.6 7,-3.2 252,-0.1 2,-0.5 -0.980 50.4-119.1-173.3 167.6 4.7 52.0 -12.7 27 28 A L E + B 0 32A 15 252,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.991 36.0 173.6-119.0 124.4 5.2 48.8 -14.7 28 29 A Y E > - B 0 31A 10 3,-2.9 3,-2.1 -2,-0.5 -2,-0.0 -0.974 63.4 -19.0-140.0 124.6 3.3 48.7 -17.9 29 30 A Q T 3 S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.900 127.9 -49.5 49.5 46.9 3.4 46.1 -20.7 30 31 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 27,-0.0 -1,-0.3 0.495 117.7 109.5 74.8 3.4 6.8 44.9 -19.5 31 32 A V E < -B 28 0A 4 -3,-2.1 -3,-2.9 88,-0.1 2,-0.5 -0.945 62.6-138.3-116.9 131.8 8.3 48.4 -19.3 32 33 A Y E -BC 27 56A 10 24,-3.7 24,-2.1 -2,-0.4 2,-0.4 -0.753 22.2-156.3 -85.9 126.7 9.2 50.2 -16.0 33 34 A H E -BC 26 55A 2 -7,-3.2 -7,-1.6 -2,-0.5 2,-0.4 -0.871 11.9-176.1-107.0 137.4 8.2 53.9 -16.2 34 35 A F E + C 0 54A 0 20,-2.6 20,-2.5 -2,-0.4 2,-0.3 -0.997 3.7 175.7-133.9 129.5 9.8 56.6 -14.1 35 36 A F E -BC 23 53A 0 -12,-1.6 -12,-3.3 -2,-0.4 2,-0.3 -0.829 7.1-178.3-123.8 164.6 8.8 60.2 -14.1 36 37 A Y E -BC 22 52A 6 16,-1.2 16,-3.2 -14,-0.3 2,-0.2 -0.978 38.4 -89.5-165.5 150.1 10.1 63.1 -11.9 37 38 A Q E + C 0 51A 3 -16,-2.6 -17,-2.1 -2,-0.3 2,-0.4 -0.454 56.9 179.5 -61.6 124.6 9.8 66.8 -11.0 38 39 A Y E -BC 19 50A 36 12,-2.8 12,-2.9 -2,-0.2 -19,-0.2 -0.988 32.0-149.4-138.2 142.5 12.2 68.4 -13.4 39 40 A N E -B 18 0A 6 -21,-2.0 -21,-0.6 -2,-0.4 3,-0.5 -0.937 9.3-167.6-108.6 110.0 13.3 72.0 -14.2 40 41 A P S S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.621 83.8 48.1 -72.2 -10.4 14.2 72.2 -17.9 41 42 A Y S S+ 0 0 179 7,-0.3 2,-0.3 1,-0.1 -24,-0.1 0.563 113.3 9.4-110.5 -9.6 15.9 75.6 -17.4 42 43 A A - 0 0 34 -3,-0.5 -24,-2.2 2,-0.2 -3,-0.2 -0.984 62.8-110.4-161.9 171.3 18.1 75.4 -14.3 43 44 A A S S+ 0 0 7 -26,-0.3 2,-0.3 -2,-0.3 263,-0.1 -0.076 99.3 64.0 -96.9 29.2 19.9 73.4 -11.6 44 45 A T S S- 0 0 26 -26,-0.1 -26,-0.3 257,-0.1 -2,-0.2 -0.888 102.1 -77.4-141.1 169.5 17.6 74.9 -9.0 45 46 A F - 0 0 103 -2,-0.3 2,-0.3 -26,-0.1 -2,-0.1 -0.392 60.4-175.9 -66.7 154.0 13.9 74.7 -8.3 46 47 A G - 0 0 20 -4,-0.1 3,-0.1 1,-0.0 -1,-0.0 -0.897 42.9 -97.7-147.2 176.6 12.0 77.1 -10.7 47 48 A D S S+ 0 0 154 -2,-0.3 2,-0.6 1,-0.2 -1,-0.0 0.751 112.0 56.0 -68.4 -25.5 8.7 78.6 -11.7 48 49 A V + 0 0 51 31,-0.1 2,-0.4 2,-0.0 -7,-0.3 -0.899 66.9 169.2-115.3 104.9 8.3 76.0 -14.4 49 50 A I + 0 0 0 -2,-0.6 31,-2.8 29,-0.3 2,-0.3 -0.938 7.3 174.5-113.8 135.2 8.4 72.4 -13.3 50 51 A I E -C 38 0A 11 -12,-2.9 -12,-2.8 -2,-0.4 2,-0.8 -0.811 38.0 -89.7-132.7 173.0 7.5 69.5 -15.5 51 52 A W E -CD 37 69A 0 18,-2.9 17,-1.5 -2,-0.3 18,-0.7 -0.774 35.4-155.9 -89.6 110.1 7.5 65.7 -15.5 52 53 A G E -C 36 0A 2 -16,-3.2 -16,-1.2 -2,-0.8 2,-0.3 -0.393 16.3-150.4 -73.4 165.6 10.8 64.2 -16.8 53 54 A H E +C 35 0A 0 12,-0.5 12,-2.7 -18,-0.2 2,-0.3 -0.997 23.3 163.7-147.5 136.4 10.3 60.7 -18.2 54 55 A A E -CE 34 64A 0 -20,-2.5 -20,-2.6 -2,-0.3 2,-0.3 -0.984 17.4-150.6-147.0 152.7 12.6 57.6 -18.5 55 56 A V E +CE 33 63A 1 8,-2.0 8,-2.2 -2,-0.3 2,-0.3 -0.909 13.9 175.3-127.2 157.0 11.9 53.9 -19.2 56 57 A S E -C 32 0A 4 -24,-2.1 -24,-3.7 -2,-0.3 6,-0.1 -0.992 31.6-150.5-156.3 155.1 13.7 50.7 -18.2 57 58 A Y S S+ 0 0 146 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.550 104.5 23.0-101.6 -12.2 13.3 46.9 -18.5 58 59 A D S S- 0 0 48 3,-0.5 274,-0.1 -26,-0.1 4,-0.1 0.343 98.5-115.2-137.1 6.7 15.2 46.3 -15.3 59 60 A L S S+ 0 0 2 2,-0.3 3,-0.1 1,-0.1 271,-0.1 0.447 106.3 70.1 69.5 0.0 15.0 49.4 -13.0 60 61 A V S S+ 0 0 5 1,-0.3 2,-0.5 252,-0.1 -1,-0.1 0.784 90.3 49.0-110.6 -52.0 18.8 49.7 -13.4 61 62 A N S S- 0 0 45 469,-0.1 -3,-0.5 471,-0.0 -4,-0.5 -0.818 76.1-165.2 -97.1 130.1 19.5 50.8 -17.0 62 63 A W E - f 0 532A 7 469,-2.3 471,-2.7 -2,-0.5 2,-0.5 -0.820 24.8-150.1-123.0 158.6 17.5 53.7 -18.4 63 64 A I E -Ef 55 533A 37 -8,-2.2 -8,-2.0 -2,-0.3 2,-0.4 -0.988 25.1-138.9-121.2 117.4 16.5 55.4 -21.5 64 65 A H E -Ef 54 534A 5 469,-3.3 471,-2.9 -2,-0.5 -10,-0.2 -0.655 26.4-175.8 -79.2 129.1 15.8 59.2 -21.1 65 66 A L - 0 0 1 -12,-2.7 -12,-0.5 -2,-0.4 471,-0.2 -0.513 35.3 -77.7-113.3-177.7 12.8 60.4 -23.1 66 67 A D - 0 0 60 469,-0.4 -1,-0.1 -2,-0.2 470,-0.0 -0.507 68.7 -77.6 -78.0 152.9 11.2 63.8 -23.7 67 68 A P - 0 0 43 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.203 39.8-155.7 -52.6 142.8 9.1 65.1 -20.8 68 69 A A S S+ 0 0 6 -17,-1.5 2,-0.5 1,-0.2 56,-0.4 0.850 74.3 34.5 -89.1 -41.6 5.7 63.5 -20.6 69 70 A I B +D 51 0A 0 -18,-0.7 -18,-2.9 11,-0.1 -1,-0.2 -0.969 66.5 148.5-126.0 120.6 3.7 66.0 -18.7 70 71 A Y - 0 0 99 -2,-0.5 -20,-0.1 -20,-0.2 7,-0.1 -0.979 57.2 -68.3-145.1 151.8 4.1 69.8 -19.1 71 72 A P + 0 0 40 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.144 64.1 139.2 -46.5 120.3 1.7 72.8 -18.9 72 73 A T + 0 0 88 1,-0.2 2,-0.3 0, 0.0 5,-0.1 0.338 60.6 44.7-141.3 -8.3 -0.7 72.8 -21.8 73 74 A Q S >> S- 0 0 45 1,-0.1 3,-2.0 0, 0.0 4,-0.5 -0.904 86.6-103.4-137.8 167.7 -4.0 73.9 -20.2 74 75 A E G >4 S+ 0 0 88 -2,-0.3 28,-1.0 1,-0.3 3,-0.9 0.885 116.2 65.2 -55.8 -39.2 -5.4 76.4 -17.7 75 76 A A G 34 S+ 0 0 2 1,-0.2 -1,-0.3 55,-0.2 32,-0.3 0.546 122.9 15.0 -63.6 -8.0 -5.5 73.7 -15.1 76 77 A D G X4 S+ 0 0 0 -3,-2.0 3,-0.8 23,-0.2 -1,-0.2 0.165 83.2 129.4-151.8 23.9 -1.7 73.3 -15.1 77 78 A S T << S+ 0 0 52 -3,-0.9 24,-0.2 -4,-0.5 -3,-0.1 0.744 78.1 43.9 -55.4 -31.4 -0.5 76.5 -16.9 78 79 A K T 3 S- 0 0 93 22,-2.8 -29,-0.3 1,-0.3 2,-0.2 0.677 128.1 -33.0 -91.3 -17.6 2.1 77.4 -14.2 79 80 A S E < -G 100 0B 0 -3,-0.8 21,-2.3 21,-0.8 2,-0.6 -0.867 44.8-120.0 169.7 157.2 3.5 74.0 -13.5 80 81 A C E -G 99 0B 0 -31,-2.8 19,-0.2 -2,-0.2 3,-0.1 -0.906 41.6-175.1-116.1 99.0 2.9 70.2 -13.4 81 82 A W E - 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