==== 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 15-DEC-04 1Y9G . COMPND 2 MOLECULE: EXO-INULINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS AWAMORI; . AUTHOR R.A.P.NAGEM,A.L.ROJAS,A.M.GOLUBEV,O.S.KORNEEVA,E.V.ENEYSKAYA . 517 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 1 0.2 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 . 47 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 0 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 . 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 0 PARALLEL BRIDGES PER LADDER . 4 6 2 1 2 7 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 2 1 1 0 0 1 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 20 A F 0 0 116 0, 0.0 2,-0.7 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 140.3 23.1 -4.1 35.6 2 21 A N - 0 0 116 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.855 360.0-178.9 -96.5 112.7 21.9 -4.2 39.2 3 22 A Y + 0 0 15 -2,-0.7 2,-1.6 1,-0.1 -1,-0.1 0.046 39.9 125.5 -97.0 23.1 18.1 -3.3 39.3 4 23 A D + 0 0 103 3,-0.0 -1,-0.1 513,-0.0 -2,-0.1 -0.620 36.4 132.0 -88.2 77.4 17.9 -3.7 43.1 5 24 A Q > - 0 0 34 -2,-1.6 3,-1.9 3,-0.1 2,-0.1 -0.930 67.3 -90.7-119.7 153.2 16.4 -0.3 43.9 6 25 A P T 3 S+ 0 0 97 0, 0.0 319,-0.4 0, 0.0 3,-0.1 -0.402 115.3 13.8 -59.4 133.8 13.5 0.8 46.0 7 26 A Y T 3 S+ 0 0 41 1,-0.2 2,-0.9 460,-0.2 461,-0.3 0.336 89.2 140.3 81.1 -6.2 10.4 0.9 43.8 8 27 A R < - 0 0 0 -3,-1.9 459,-0.3 459,-0.2 -1,-0.2 -0.593 54.6-130.4 -73.8 108.8 12.0 -1.0 41.0 9 28 A G - 0 0 5 -2,-0.9 3,-0.4 1,-0.2 5,-0.1 -0.379 15.5-161.0 -52.4 125.9 9.5 -3.4 39.6 10 29 A Q S S+ 0 0 11 1,-0.2 506,-2.6 -2,-0.1 507,-0.3 0.572 90.0 32.4 -91.2 -8.8 11.2 -6.8 39.5 11 30 A Y S S+ 0 0 1 504,-0.2 2,-0.3 505,-0.1 -1,-0.2 -0.135 107.8 78.2-137.9 33.4 8.7 -8.2 37.0 12 31 A H S S- 0 0 2 -3,-0.4 2,-0.3 321,-0.1 320,-0.1 -0.993 84.9-108.4-132.0 145.6 7.8 -5.1 35.0 13 32 A F + 0 0 2 -2,-0.3 318,-2.5 319,-0.3 -4,-0.1 -0.499 45.3 154.9 -74.4 136.1 10.0 -3.6 32.3 14 33 A S - 0 0 1 -2,-0.3 316,-0.1 316,-0.2 2,-0.1 -0.967 45.3-104.3-146.2 152.5 11.8 -0.4 33.0 15 34 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.394 32.9-115.3 -69.2 152.7 15.0 1.0 31.4 16 35 A Q S S+ 0 0 58 1,-0.1 2,-0.3 -2,-0.1 311,-0.1 0.917 94.8 1.4 -57.4 -39.7 18.1 0.8 33.6 17 36 A K S S+ 0 0 113 2,-0.1 310,-0.3 310,-0.1 -1,-0.1 -0.962 102.9 26.2-141.6 166.5 18.2 4.6 33.7 18 37 A N E S-a 327 0A 34 308,-2.6 310,-2.1 -2,-0.3 26,-0.3 -0.036 86.1 -38.8 74.3 178.6 16.4 7.7 32.5 19 38 A W E -a 328 0A 1 24,-2.3 21,-2.1 21,-0.5 2,-0.4 -0.612 49.6-176.8 -83.6 139.1 12.8 8.5 31.5 20 39 A M E +B 39 0B 0 308,-2.5 19,-0.2 -2,-0.3 2,-0.1 -0.996 9.5 159.8-129.2 139.8 10.4 6.2 29.6 21 40 A N E + 0 0 4 17,-1.9 292,-0.1 -2,-0.4 307,-0.0 -0.125 49.4 22.5-118.8-119.1 6.9 6.6 28.3 22 41 A D E S- 0 0 10 15,-0.2 16,-2.4 1,-0.1 -1,-0.3 0.135 70.1-115.9 -62.1 144.9 4.8 4.8 25.7 23 42 A P E -B 37 0B 4 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.506 41.6-175.5 -72.1 143.3 5.5 1.3 24.4 24 43 A N E +B 36 0B 1 12,-2.5 12,-2.4 -2,-0.2 62,-0.3 -0.962 46.5 18.0-138.4 154.8 6.5 1.2 20.8 25 44 A G E - 0 0 1 60,-1.9 2,-0.5 -2,-0.3 61,-0.2 0.826 66.6-171.8 62.4 33.4 7.3 -1.1 17.9 26 45 A L E + 0 0 4 59,-0.3 274,-2.3 272,-0.2 61,-0.4 -0.510 19.2 153.7 -71.4 120.3 5.8 -4.1 19.5 27 46 A L E -Bc 34 300B 5 7,-0.9 7,-3.2 -2,-0.5 2,-0.6 -0.982 37.6-153.2-152.9 126.9 6.7 -7.0 17.3 28 47 A Y E +B 33 0B 79 272,-2.2 2,-0.4 -2,-0.3 5,-0.2 -0.919 30.8 165.7 -96.7 122.1 7.2 -10.8 17.8 29 48 A H E > -B 32 0B 44 3,-2.7 3,-1.7 -2,-0.6 -2,-0.1 -0.971 59.6 -18.4-147.7 119.8 9.6 -12.1 15.2 30 49 A N T 3 S- 0 0 132 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.906 130.1 -41.4 50.7 53.1 11.5 -15.4 15.1 31 50 A G T 3 S+ 0 0 21 1,-0.2 2,-0.4 26,-0.0 -1,-0.3 0.306 116.7 110.5 87.5 -11.0 11.0 -16.2 18.8 32 51 A T E < -B 29 0B 26 -3,-1.7 -3,-2.7 26,-0.1 2,-0.7 -0.872 55.4-150.6-109.3 131.6 11.7 -12.7 20.0 33 52 A Y E -BD 28 56B 40 23,-3.2 23,-1.6 -2,-0.4 2,-0.4 -0.897 19.9-153.4 -93.1 113.7 9.4 -10.2 21.6 34 53 A H E -BD 27 55B 8 -7,-3.2 -7,-0.9 -2,-0.7 2,-0.5 -0.745 10.8-171.7 -85.7 139.2 10.6 -6.6 20.8 35 54 A L E + D 0 54B 0 19,-2.8 19,-2.0 -2,-0.4 2,-0.2 -0.965 8.2 176.4-129.0 100.7 9.7 -3.9 23.2 36 55 A F E -BD 24 53B 2 -12,-2.4 -12,-2.5 -2,-0.5 2,-0.3 -0.646 11.7-175.6 -94.6 169.3 10.6 -0.4 21.9 37 56 A F E -BD 23 52B 1 15,-1.4 15,-3.0 -14,-0.3 2,-0.2 -0.971 36.6 -91.1-166.8 151.1 9.7 2.7 24.0 38 57 A Q E + D 0 51B 4 -16,-2.4 -17,-1.9 -2,-0.3 2,-0.3 -0.458 59.8 176.6 -61.8 123.5 9.6 6.4 24.2 39 58 A Y E -BD 20 50B 18 11,-2.3 11,-2.6 -19,-0.2 -19,-0.2 -0.998 37.6-149.9-144.7 138.7 12.9 7.2 25.9 40 59 A N > - 0 0 9 -21,-2.1 3,-1.1 -2,-0.3 -21,-0.5 -0.910 11.2-174.2-105.3 102.8 15.1 10.1 27.0 41 60 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.590 84.8 48.0 -74.3 -1.7 18.7 9.0 26.8 42 61 A G T 3 S+ 0 0 47 5,-0.2 2,-0.3 3,-0.1 6,-0.1 0.202 114.8 14.6-117.9 9.6 19.7 12.3 28.4 43 62 A G < - 0 0 18 -3,-1.1 -24,-2.3 4,-0.1 -3,-0.3 -0.995 63.1-110.2-178.9 169.3 17.4 12.6 31.4 44 63 A I S S+ 0 0 49 -2,-0.3 2,-0.2 -26,-0.3 -24,-0.2 0.404 97.7 52.5-101.7 -1.6 15.0 11.4 34.0 45 64 A E S S- 0 0 84 -26,-0.1 -26,-0.3 1,-0.1 -3,-0.1 -0.752 107.8 -60.4-120.2 177.8 12.0 13.3 32.7 46 65 A W S S+ 0 0 103 -2,-0.2 2,-0.2 -26,-0.1 -2,-0.1 -0.337 84.1 98.0 -60.9 133.7 10.4 13.6 29.2 47 66 A G + 0 0 11 -4,-0.1 3,-0.3 -28,-0.1 -5,-0.2 -0.889 56.2 42.0 165.1 166.0 12.8 15.0 26.6 48 67 A N S S- 0 0 46 -2,-0.2 23,-0.5 1,-0.2 -9,-0.1 0.829 84.0-145.4 50.1 40.8 15.2 14.1 23.7 49 68 A I + 0 0 0 -9,-0.1 33,-2.4 21,-0.1 2,-0.3 -0.136 33.7 154.8 -65.8 127.9 12.6 11.7 22.7 50 69 A S E -D 39 0B 0 -11,-2.6 -11,-2.3 -3,-0.3 2,-0.7 -0.810 47.4-100.9-134.4 164.3 14.0 8.5 21.2 51 70 A W E -DE 38 69B 0 18,-2.3 17,-2.4 -2,-0.3 18,-1.5 -0.893 37.0-166.2 -93.4 107.0 13.0 4.8 20.7 52 71 A G E -D 37 0B 2 -15,-3.0 -15,-1.4 -2,-0.7 2,-0.3 -0.326 10.7-145.3 -73.2 175.5 14.7 2.6 23.3 53 72 A H E +DE 36 65B 4 12,-0.5 12,-2.6 -17,-0.3 2,-0.3 -0.994 23.9 167.5-152.7 137.3 14.7 -1.1 22.8 54 73 A A E -DE 35 64B 0 -19,-2.0 -19,-2.8 -2,-0.3 2,-0.3 -0.930 15.5-157.3-143.2 154.6 14.6 -4.3 24.9 55 74 A I E +DE 34 63B 31 8,-2.1 8,-2.6 -2,-0.3 2,-0.3 -0.956 12.1 172.9-131.4 151.4 13.9 -7.9 23.9 56 75 A S E -D 33 0B 4 -23,-1.6 -23,-3.2 -2,-0.3 6,-0.1 -0.957 30.7-144.5-145.4 165.1 12.7 -11.0 25.6 57 76 A E S S+ 0 0 123 4,-0.4 5,-0.1 -2,-0.3 -23,-0.1 0.527 104.2 29.3 -95.4 -10.9 11.8 -14.6 24.6 58 77 A D S S- 0 0 51 3,-0.2 297,-0.3 -25,-0.1 4,-0.1 0.213 103.4-109.5-141.0 14.6 9.0 -14.8 27.1 59 78 A L S S+ 0 0 1 2,-0.1 3,-0.1 295,-0.1 -27,-0.0 0.682 109.1 65.0 58.8 26.0 7.5 -11.3 27.8 60 79 A T S S+ 0 0 0 1,-0.2 2,-0.9 294,-0.1 -1,-0.1 0.629 84.4 55.5-143.5 -55.7 9.2 -11.6 31.2 61 80 A H S S- 0 0 73 -50,-0.0 -4,-0.4 454,-0.0 -3,-0.2 -0.839 75.0-169.6-100.4 94.2 12.9 -11.7 31.3 62 81 A W - 0 0 19 -2,-0.9 2,-0.4 -6,-0.1 -6,-0.2 -0.571 15.9-160.0 -90.4 149.0 13.9 -8.5 29.4 63 82 A E E -E 55 0B 102 -8,-2.6 -8,-2.1 -2,-0.2 2,-0.2 -0.991 21.3-130.7-123.0 121.7 17.3 -7.5 28.1 64 83 A E E -E 54 0B 44 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.505 27.5-167.8 -75.6 135.6 17.9 -3.9 27.3 65 84 A K E -E 53 0B 56 -12,-2.6 -12,-0.5 -2,-0.2 3,-0.1 -0.620 32.9 -68.3-113.4 171.3 19.5 -3.2 23.9 66 85 A P E - 0 0 82 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.249 67.4 -79.8 -58.8 153.9 21.0 -0.1 22.3 67 86 A V E - 0 0 49 1,-0.1 -15,-0.2 -15,-0.1 3,-0.2 -0.306 40.6-158.2 -53.0 129.8 18.9 2.9 21.4 68 87 A A E S+ 0 0 10 -17,-2.4 76,-0.5 1,-0.3 2,-0.4 0.884 80.3 17.6 -81.8 -50.3 17.1 2.1 18.2 69 88 A L E S-E 51 0B 7 -18,-1.5 -18,-2.3 74,-0.1 2,-0.6 -0.919 77.5-161.3-129.8 102.6 16.2 5.6 17.0 70 89 A L - 0 0 83 -2,-0.4 4,-0.2 -3,-0.2 3,-0.1 -0.774 36.2 -94.7 -91.7 122.0 18.2 8.3 18.7 71 90 A A > - 0 0 2 -2,-0.6 3,-2.2 -23,-0.5 2,-0.3 0.016 47.6-108.6 -33.3 130.1 16.8 11.8 18.6 72 91 A R B 3 S+F 80 0C 84 8,-1.8 7,-2.5 1,-0.3 8,-1.1 -0.442 106.5 20.3 -72.7 125.4 18.5 13.5 15.6 73 92 A G T > S+ 0 0 30 -2,-0.3 3,-2.5 5,-0.3 -1,-0.3 0.525 84.1 171.7 88.9 8.1 21.0 16.1 17.0 74 93 A F T < S+ 0 0 77 -3,-2.2 -1,-0.2 1,-0.3 3,-0.1 -0.279 72.1 19.2 -53.4 128.4 21.2 14.4 20.5 75 94 A G T 3 S+ 0 0 77 1,-0.4 -1,-0.3 -33,-0.0 2,-0.2 0.325 132.7 46.1 89.5 -3.6 24.0 16.1 22.4 76 95 A S S < S- 0 0 92 -3,-2.5 2,-0.7 -4,-0.0 -1,-0.4 -0.358 123.8 -33.2-137.7-145.5 23.8 19.2 20.1 77 96 A D - 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