==== 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 16-DEC-04 1Y9M . 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) . 19018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 61.9 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 . 194 37.5 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 . 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 . 45 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 3 7 5 2 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 . 2 0 1 3 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 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 0 131 0, 0.0 2,-0.8 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 141.9 46.4 -4.6 21.4 2 21 A N + 0 0 106 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.793 360.0 179.4 -87.4 110.0 47.5 -4.2 25.0 3 22 A Y + 0 0 20 -2,-0.8 2,-1.4 1,-0.1 -1,-0.1 0.124 43.7 117.6 -95.2 18.2 44.4 -3.3 27.1 4 23 A D + 0 0 99 3,-0.0 -1,-0.1 6,-0.0 -2,-0.1 -0.625 36.9 130.3 -92.7 77.3 46.4 -3.2 30.4 5 24 A Q > - 0 0 28 -2,-1.4 3,-1.8 3,-0.1 -2,-0.0 -0.925 67.9 -91.5-118.8 150.9 46.0 0.4 31.4 6 25 A P T 3 S+ 0 0 98 0, 0.0 319,-0.4 0, 0.0 3,-0.1 -0.343 114.9 16.5 -53.3 141.7 44.9 1.7 34.8 7 26 A Y T 3 S+ 0 0 41 460,-0.2 2,-0.9 1,-0.2 461,-0.3 0.298 88.7 138.5 72.9 -7.2 41.1 2.2 34.8 8 27 A R < - 0 0 0 -3,-1.8 459,-0.3 459,-0.2 -1,-0.2 -0.586 55.6-129.8 -74.9 107.6 40.6 -0.0 31.8 9 28 A G - 0 0 5 -2,-0.9 3,-0.3 1,-0.2 5,-0.1 -0.337 15.2-160.3 -53.8 128.7 37.6 -2.2 32.4 10 29 A Q S S+ 0 0 13 1,-0.2 506,-2.9 3,-0.1 507,-0.3 0.583 90.7 31.2 -93.4 -13.7 38.6 -5.8 31.6 11 30 A Y S S+ 0 0 1 504,-0.2 2,-0.3 505,-0.1 -1,-0.2 -0.047 107.6 79.4-133.4 34.7 35.1 -7.1 31.2 12 31 A H S S- 0 0 2 -3,-0.3 2,-0.3 321,-0.1 320,-0.1 -0.996 85.5-105.9-133.6 141.6 33.4 -3.9 29.8 13 32 A F + 0 0 4 -2,-0.3 318,-2.4 319,-0.3 -3,-0.1 -0.498 46.4 157.6 -70.8 129.8 33.7 -2.7 26.2 14 33 A S - 0 0 1 -2,-0.3 316,-0.1 316,-0.2 2,-0.1 -0.977 43.0-107.1-138.5 153.7 35.9 0.2 25.5 15 34 A P - 0 0 0 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.438 33.3-113.3 -73.8 154.0 37.6 1.3 22.2 16 35 A Q S S- 0 0 60 1,-0.1 2,-0.3 -2,-0.1 311,-0.1 0.933 94.6 -7.7 -51.4 -46.7 41.3 0.8 22.0 17 36 A K S S+ 0 0 114 2,-0.1 310,-0.3 310,-0.1 -1,-0.1 -0.910 103.9 31.5-141.6 170.2 41.8 4.5 21.9 18 37 A N E S-a 327 0A 17 308,-2.7 310,-2.3 -2,-0.3 26,-0.3 0.076 86.3 -34.6 77.1 178.6 39.7 7.8 21.6 19 38 A W E -a 328 0A 1 24,-2.3 21,-2.1 21,-0.4 2,-0.4 -0.528 50.3-178.3 -80.9 135.5 36.3 9.0 22.7 20 39 A M E +B 39 0B 0 308,-2.0 19,-0.2 -2,-0.3 2,-0.1 -0.997 9.2 157.3-129.5 136.9 33.2 6.8 22.7 21 40 A N E + 0 0 5 17,-2.4 292,-0.1 -2,-0.4 307,-0.0 -0.141 48.3 23.2-121.9-125.1 29.6 7.6 23.6 22 41 A D E S- 0 0 8 15,-0.2 16,-2.6 1,-0.1 -1,-0.3 0.093 71.2-117.2 -50.0 139.0 26.1 6.0 22.8 23 42 A P E -B 37 0B 4 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.513 41.6-173.1 -67.9 145.8 25.8 2.3 21.8 24 43 A N E +B 36 0B 0 12,-3.1 12,-2.4 -2,-0.2 62,-0.3 -0.935 47.6 17.3-138.1 155.2 24.4 2.0 18.3 25 44 A G E - 0 0 1 60,-1.8 2,-0.6 -2,-0.3 61,-0.2 0.803 66.1-171.9 59.4 37.6 23.2 -0.6 15.8 26 45 A L E + 0 0 4 59,-0.3 274,-2.6 272,-0.3 61,-0.4 -0.558 19.4 156.8 -73.7 113.8 22.8 -3.4 18.4 27 46 A L E -Bc 34 300B 4 7,-0.8 7,-3.3 -2,-0.6 2,-0.6 -0.987 36.0-155.4-146.3 126.5 22.0 -6.4 16.3 28 47 A Y E +B 33 0B 73 272,-2.6 2,-0.3 -2,-0.4 5,-0.2 -0.927 33.5 156.9-100.5 123.3 22.3 -10.1 16.9 29 48 A H E > -B 32 0B 49 3,-2.7 3,-1.5 -2,-0.6 -2,-0.1 -0.956 58.4 -8.2-153.7 129.7 22.7 -11.9 13.6 30 49 A N T 3 S- 0 0 125 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.915 130.2 -48.6 52.7 48.7 24.1 -15.2 12.4 31 50 A G T 3 S+ 0 0 26 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.572 117.0 113.0 71.8 10.2 25.6 -15.9 15.8 32 51 A T E < -B 29 0B 23 -3,-1.5 -3,-2.7 26,-0.1 2,-0.7 -0.966 55.4-151.3-121.4 129.5 27.2 -12.5 16.1 33 52 A Y E -BD 28 56B 39 23,-2.8 23,-1.5 -2,-0.4 2,-0.4 -0.880 20.6-151.9 -90.4 115.5 26.3 -9.6 18.5 34 53 A H E -BD 27 55B 6 -7,-3.3 -7,-0.8 -2,-0.7 2,-0.5 -0.729 11.3-170.3 -87.4 137.1 27.2 -6.3 16.8 35 54 A L E + D 0 54B 0 19,-3.0 19,-2.5 -2,-0.4 2,-0.2 -0.924 9.9 173.6-125.1 103.8 28.1 -3.3 19.0 36 55 A F E -BD 24 53B 2 -12,-2.4 -12,-3.1 -2,-0.5 2,-0.3 -0.642 10.9-177.8 -95.6 166.2 28.4 -0.1 17.1 37 56 A F E -BD 23 52B 1 15,-1.3 15,-3.0 -14,-0.3 -15,-0.2 -0.973 37.5 -90.0-164.9 149.0 28.9 3.2 19.0 38 57 A Q E + D 0 51B 5 -16,-2.6 -17,-2.4 -2,-0.3 2,-0.3 -0.460 60.4 174.8 -61.0 130.4 29.3 6.9 18.7 39 58 A Y E -BD 20 50B 12 11,-1.9 11,-2.8 -19,-0.2 -19,-0.2 -1.000 38.8-144.1-152.5 137.2 33.0 7.4 18.2 40 59 A N > - 0 0 10 -21,-2.1 3,-1.2 -2,-0.3 -21,-0.4 -0.888 12.8-171.3-101.5 101.9 35.6 10.1 17.5 41 60 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.630 84.3 47.6 -68.9 -7.2 38.3 8.5 15.2 42 61 A G T 3 S+ 0 0 50 5,-0.2 2,-0.3 1,-0.1 6,-0.1 0.237 114.8 7.5-117.4 13.5 40.5 11.6 15.7 43 62 A G < - 0 0 17 -3,-1.2 -24,-2.3 4,-0.1 -3,-0.2 -0.985 64.9-102.8 178.1 170.6 40.5 12.4 19.4 44 63 A I S S+ 0 0 46 -26,-0.3 2,-0.3 -2,-0.3 -24,-0.2 0.384 97.5 59.8 -92.4 -1.3 39.8 11.6 23.1 45 64 A E S S- 0 0 70 -26,-0.1 -26,-0.3 1,-0.1 -3,-0.1 -0.782 103.3 -69.8-119.8 168.2 36.8 14.0 23.4 46 65 A W S S+ 0 0 108 -2,-0.3 2,-0.2 -28,-0.1 -1,-0.1 -0.276 82.6 89.2 -57.9 138.5 33.5 14.2 21.6 47 66 A G + 0 0 12 -4,-0.1 3,-0.3 -28,-0.1 -5,-0.2 -0.840 56.5 53.3 152.7 172.9 33.7 15.2 17.9 48 67 A N S S- 0 0 48 -2,-0.2 23,-0.5 1,-0.2 -6,-0.1 0.831 82.4-148.8 43.4 42.3 34.1 13.9 14.3 49 68 A I + 0 0 0 -9,-0.1 33,-3.0 21,-0.1 2,-0.2 -0.174 31.6 155.3 -65.9 122.1 31.2 11.6 15.2 50 69 A S E -D 39 0B 0 -11,-2.8 -11,-1.9 -3,-0.3 2,-0.8 -0.747 48.2 -98.8-128.1 168.6 31.3 8.2 13.5 51 70 A W E -DE 38 69B 1 18,-2.2 17,-2.5 -2,-0.2 18,-1.5 -0.883 37.5-163.1 -95.8 107.2 30.0 4.7 14.1 52 71 A G E -D 37 0B 2 -15,-3.0 -15,-1.3 -2,-0.8 2,-0.4 -0.334 11.7-143.5 -72.3 168.9 32.7 2.6 15.6 53 72 A H E +DE 36 65B 4 12,-0.5 12,-3.4 -17,-0.2 2,-0.3 -0.992 24.8 166.4-147.7 131.5 32.2 -1.2 15.5 54 73 A A E -DE 35 64B 0 -19,-2.5 -19,-3.0 -2,-0.4 2,-0.3 -0.960 14.5-158.4-136.3 157.5 32.9 -4.2 17.6 55 74 A I E +DE 34 63B 36 8,-2.0 8,-2.6 -2,-0.3 2,-0.3 -0.958 12.6 169.0-133.7 153.5 31.7 -7.8 17.5 56 75 A S E -D 33 0B 6 -23,-1.5 -23,-2.8 -2,-0.3 6,-0.1 -0.965 31.7-143.7-151.8 160.5 31.4 -10.7 19.9 57 76 A E S S+ 0 0 149 4,-0.4 5,-0.1 -2,-0.3 -23,-0.1 0.467 103.6 26.8 -97.2 -4.9 29.8 -14.1 19.9 58 77 A D S S- 0 0 48 3,-0.2 297,-0.4 -25,-0.1 4,-0.1 0.193 103.1-109.0-148.7 13.3 28.9 -14.0 23.7 59 78 A L S S+ 0 0 3 2,-0.2 3,-0.1 1,-0.1 294,-0.0 0.641 109.2 69.4 63.8 19.5 28.6 -10.3 24.7 60 79 A T S S+ 0 0 0 1,-0.2 2,-1.0 294,-0.1 -1,-0.1 0.680 83.7 54.0-134.5 -55.8 31.8 -10.8 26.6 61 80 A H S S- 0 0 73 -48,-0.0 -4,-0.4 2,-0.0 2,-0.2 -0.789 74.8-168.5 -97.7 92.0 34.8 -11.2 24.3 62 81 A W - 0 0 19 -2,-1.0 2,-0.5 -6,-0.1 -6,-0.2 -0.576 14.3-162.7 -84.9 141.9 34.8 -8.2 22.0 63 82 A E E -E 55 0B 104 -8,-2.6 -8,-2.0 -2,-0.2 2,-0.1 -0.980 20.0-134.5-121.4 117.5 36.9 -7.7 18.9 64 83 A E E -E 54 0B 41 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.471 25.8-166.2 -69.3 138.3 37.1 -4.1 17.6 65 84 A K E -E 53 0B 60 -12,-3.4 -12,-0.5 1,-0.2 3,-0.1 -0.587 33.5 -66.7-116.7 175.6 36.6 -3.8 13.9 66 85 A P E S- 0 0 83 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.317 70.8 -79.5 -61.4 152.1 37.2 -0.9 11.3 67 86 A V E - 0 0 52 1,-0.1 3,-0.2 -15,-0.1 -15,-0.2 -0.261 42.0-156.7 -50.9 134.7 35.1 2.2 11.7 68 87 A A E S+ 0 0 10 -17,-2.5 76,-0.5 1,-0.3 2,-0.5 0.912 79.9 19.6 -88.6 -48.6 31.7 1.4 10.1 69 88 A L E S-E 51 0B 6 -18,-1.5 -18,-2.2 13,-0.1 2,-0.5 -0.920 78.7-159.1-125.1 104.0 30.4 4.9 9.2 70 89 A L - 0 0 85 -2,-0.5 4,-0.2 -3,-0.2 3,-0.2 -0.757 34.7 -95.6 -90.8 121.3 33.3 7.4 9.1 71 90 A A > - 0 0 2 -2,-0.5 3,-2.0 -23,-0.5 2,-0.3 0.070 48.7-107.4 -33.3 124.9 32.3 11.2 9.5 72 91 A R B 3 S+F 80 0C 79 8,-2.1 7,-2.4 1,-0.3 8,-1.1 -0.497 106.5 17.3 -67.0 123.2 32.0 12.5 6.0 73 92 A G T > S+ 0 0 31 -2,-0.3 3,-2.4 5,-0.2 -1,-0.3 0.594 85.5 172.4 86.4 13.8 35.0 14.8 5.3 74 93 A F T < + 0 0 77 -3,-2.0 -1,-0.2 1,-0.3 3,-0.1 -0.302 67.5 33.6 -53.6 134.8 37.0 13.3 8.3 75 94 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 3,-0.0 2,-0.1 0.154 129.8 32.3 97.6 -18.6 40.5 14.7 8.1 76 95 A S S < S- 0 0 91 -3,-2.4 2,-0.6 1,-0.0 -1,-0.4 -0.382 122.8 -24.0-134.8-139.6 39.2 18.0 6.8 77 96 A D - 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