==== 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 01-DEC-04 1Y4W . 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) . 18897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 62.1 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 . 195 37.7 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 . 47 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.2 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 6 6 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 0 117 0, 0.0 2,-0.7 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 138.7 23.2 -3.9 35.7 2 21 A N - 0 0 114 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.828 360.0-175.3 -92.7 113.2 21.9 -4.2 39.3 3 22 A Y + 0 0 17 -2,-0.7 2,-1.7 1,-0.1 -1,-0.1 0.119 43.4 122.6 -93.7 18.8 18.2 -3.4 39.3 4 23 A D + 0 0 100 513,-0.0 -1,-0.1 3,-0.0 -2,-0.1 -0.556 35.7 131.1 -86.9 76.4 17.9 -3.6 43.1 5 24 A Q > - 0 0 36 -2,-1.7 3,-1.9 3,-0.1 -2,-0.0 -0.925 67.3 -92.7-117.4 151.1 16.5 -0.1 43.8 6 25 A P T 3 S+ 0 0 100 0, 0.0 319,-0.4 0, 0.0 3,-0.1 -0.360 114.7 15.0 -55.5 142.3 13.6 0.9 46.0 7 26 A Y T 3 S+ 0 0 42 1,-0.2 2,-0.8 460,-0.2 461,-0.3 0.309 89.7 137.8 73.3 -7.7 10.4 1.1 43.8 8 27 A R < - 0 0 0 -3,-1.9 459,-0.3 459,-0.2 -1,-0.2 -0.604 56.1-129.4 -74.0 110.9 12.1 -0.9 41.0 9 28 A G - 0 0 4 -2,-0.8 3,-0.3 1,-0.2 5,-0.1 -0.373 14.8-160.0 -58.0 129.1 9.5 -3.3 39.6 10 29 A Q S S+ 0 0 11 1,-0.2 506,-2.6 503,-0.1 507,-0.3 0.550 90.9 31.5 -90.8 -11.3 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 -0.072 107.0 79.2-136.2 35.6 8.7 -8.2 37.0 12 31 A H S S- 0 0 2 -3,-0.3 2,-0.3 321,-0.1 320,-0.1 -0.991 85.0-107.4-133.7 140.7 7.8 -5.0 35.0 13 32 A F + 0 0 3 -2,-0.3 318,-2.6 319,-0.3 -4,-0.1 -0.497 46.4 156.0 -70.1 133.3 10.0 -3.5 32.3 14 33 A S - 0 0 0 -2,-0.3 316,-0.1 316,-0.2 2,-0.1 -0.972 43.7-105.9-144.5 153.1 11.8 -0.3 33.0 15 34 A P - 0 0 0 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.441 31.8-115.6 -73.1 154.8 15.0 1.1 31.5 16 35 A Q S S- 0 0 60 1,-0.1 2,-0.3 -2,-0.1 311,-0.1 0.922 94.4 -0.3 -55.3 -46.0 18.2 0.9 33.5 17 36 A K S S+ 0 0 110 2,-0.1 310,-0.3 310,-0.1 -1,-0.1 -0.924 104.0 24.2-137.9 165.5 18.3 4.7 33.7 18 37 A N E S-a 327 0A 34 308,-2.6 310,-2.1 -2,-0.3 26,-0.3 0.049 86.6 -35.7 78.0 179.8 16.3 7.8 32.5 19 38 A W E -a 328 0A 0 24,-2.4 21,-2.2 21,-0.5 2,-0.4 -0.542 49.0-176.7 -82.7 138.8 12.7 8.6 31.5 20 39 A M E +B 39 0B 0 308,-2.2 19,-0.2 -2,-0.2 2,-0.1 -0.996 9.0 160.1-130.2 137.7 10.4 6.2 29.6 21 40 A N E + 0 0 5 17,-2.2 292,-0.1 -2,-0.4 307,-0.0 -0.131 49.0 20.7-119.8-127.8 6.9 6.6 28.2 22 41 A D E S- 0 0 8 15,-0.2 16,-2.5 1,-0.1 -1,-0.3 0.069 70.9-116.3 -49.8 138.9 4.7 4.9 25.6 23 42 A P E -B 37 0B 3 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.489 41.9-172.5 -66.9 142.7 5.5 1.3 24.4 24 43 A N E +B 36 0B 1 12,-2.9 12,-2.2 -2,-0.1 62,-0.3 -0.937 47.5 14.1-135.6 156.7 6.4 1.3 20.7 25 44 A G E - 0 0 1 60,-2.0 2,-0.5 -2,-0.3 61,-0.2 0.789 66.7-172.0 55.5 36.7 7.1 -1.1 17.8 26 45 A L E + 0 0 4 59,-0.3 274,-2.5 272,-0.3 61,-0.4 -0.501 18.1 157.6 -69.1 116.7 5.8 -4.1 19.5 27 46 A L E -Bc 34 300B 5 7,-0.9 7,-2.9 -2,-0.5 2,-0.6 -0.985 37.7-150.7-147.3 128.1 6.7 -7.0 17.3 28 47 A Y E +B 33 0B 82 272,-2.6 2,-0.4 -2,-0.4 5,-0.2 -0.915 31.9 166.8 -96.5 122.2 7.1 -10.7 17.8 29 48 A H E > -B 32 0B 35 3,-2.6 3,-1.9 -2,-0.6 -2,-0.1 -0.977 60.4 -18.6-144.2 120.5 9.7 -12.0 15.2 30 49 A N T 3 S- 0 0 143 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.881 129.5 -44.9 49.7 46.3 11.6 -15.3 15.1 31 50 A G T 3 S+ 0 0 21 1,-0.2 2,-0.5 26,-0.0 -1,-0.3 0.412 116.2 112.2 84.1 -0.2 10.9 -16.1 18.7 32 51 A T E < -B 29 0B 26 -3,-1.9 -3,-2.6 26,-0.1 2,-0.7 -0.904 56.4-148.0-112.6 130.0 11.7 -12.7 20.1 33 52 A Y E -BD 28 56B 41 23,-3.4 23,-1.8 -2,-0.5 2,-0.4 -0.883 19.5-153.3 -90.1 115.8 9.4 -10.1 21.6 34 53 A H E -BD 27 55B 7 -7,-2.9 -7,-0.9 -2,-0.7 2,-0.4 -0.734 11.2-171.8 -87.1 137.1 10.6 -6.6 20.8 35 54 A L E + D 0 54B 1 19,-2.7 19,-2.3 -2,-0.4 2,-0.2 -0.935 7.4 176.1-129.0 104.1 9.7 -3.8 23.1 36 55 A F E -BD 24 53B 1 -12,-2.2 -12,-2.9 -2,-0.4 2,-0.3 -0.642 11.4-175.9 -95.5 167.8 10.6 -0.3 21.9 37 56 A F E -BD 23 52B 1 15,-1.4 15,-3.0 -14,-0.3 2,-0.2 -0.980 37.0 -91.0-164.2 147.6 9.6 2.7 24.0 38 57 A Q E + D 0 51B 4 -16,-2.5 -17,-2.2 -2,-0.3 2,-0.3 -0.465 60.4 176.5 -59.4 129.4 9.6 6.5 24.1 39 58 A Y E -BD 20 50B 16 11,-2.2 11,-2.3 -19,-0.2 -19,-0.2 -0.999 37.9-146.6-150.2 138.9 12.9 7.2 25.8 40 59 A N > - 0 0 9 -21,-2.2 3,-1.2 -2,-0.3 -21,-0.5 -0.890 11.4-171.4-107.0 100.7 15.1 10.1 27.0 41 60 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.555 85.9 43.0 -67.2 -5.0 18.7 9.1 26.6 42 61 A G T 3 S+ 0 0 48 5,-0.2 2,-0.3 3,-0.1 6,-0.1 0.225 114.2 22.6-126.6 14.6 19.8 12.3 28.5 43 62 A G < - 0 0 19 -3,-1.2 -24,-2.4 4,-0.1 -3,-0.2 -0.994 63.5-114.4-174.7 169.6 17.4 12.8 31.4 44 63 A I S S+ 0 0 48 -2,-0.3 2,-0.2 -26,-0.3 -24,-0.2 0.426 96.2 52.1 -96.8 -2.5 14.9 11.5 33.9 45 64 A E S S- 0 0 82 -26,-0.1 -26,-0.3 1,-0.1 -3,-0.1 -0.741 107.6 -58.5-122.8 176.5 11.9 13.4 32.6 46 65 A W S S+ 0 0 129 -2,-0.2 2,-0.3 -26,-0.1 -2,-0.1 -0.318 85.0 97.2 -59.6 127.6 10.3 13.7 29.1 47 66 A G + 0 0 15 -4,-0.1 3,-0.2 -28,-0.1 -5,-0.2 -0.905 56.8 41.6 168.5 168.3 12.8 15.0 26.5 48 67 A N S S- 0 0 49 -2,-0.3 23,-0.5 1,-0.2 -9,-0.1 0.848 82.6-147.3 45.5 44.0 15.2 14.1 23.7 49 68 A I + 0 0 0 -9,-0.1 33,-2.3 21,-0.1 2,-0.3 -0.197 32.5 155.9 -66.5 127.7 12.6 11.6 22.6 50 69 A S E -D 39 0B 0 -11,-2.3 -11,-2.2 -3,-0.2 2,-0.8 -0.845 48.0-100.3-135.4 161.4 14.0 8.5 21.1 51 70 A W E -DE 38 69B 1 18,-2.2 17,-2.3 -2,-0.3 18,-1.5 -0.859 37.9-163.7 -89.3 108.6 13.0 4.9 20.6 52 71 A G E -D 37 0B 2 -15,-3.0 -15,-1.4 -2,-0.8 2,-0.4 -0.355 10.5-144.7 -74.1 170.4 14.7 2.7 23.3 53 72 A H E +DE 36 65B 3 12,-0.6 12,-3.3 -17,-0.2 2,-0.3 -0.996 24.4 165.6-148.1 134.8 14.7 -1.0 22.8 54 73 A A E -DE 35 64B 0 -19,-2.3 -19,-2.7 -2,-0.4 2,-0.3 -0.959 15.8-155.5-138.7 158.4 14.5 -4.2 24.9 55 74 A I E +DE 34 63B 29 8,-2.4 8,-2.6 -2,-0.3 2,-0.3 -0.948 12.3 172.5-132.7 154.1 14.0 -7.8 24.0 56 75 A S E -D 33 0B 4 -23,-1.8 -23,-3.4 -2,-0.3 6,-0.1 -0.975 30.4-146.1-149.3 162.6 12.7 -11.0 25.6 57 76 A E S S+ 0 0 124 4,-0.4 5,-0.1 -2,-0.3 -23,-0.1 0.514 104.3 26.5 -96.7 -10.2 11.8 -14.6 24.6 58 77 A D S S- 0 0 50 3,-0.2 297,-0.4 -25,-0.1 4,-0.1 0.225 102.5-109.7-143.3 13.0 9.0 -14.7 27.1 59 78 A L S S+ 0 0 2 2,-0.1 3,-0.1 295,-0.1 294,-0.0 0.660 109.3 68.7 60.0 19.7 7.6 -11.2 27.9 60 79 A T S S+ 0 0 0 1,-0.2 2,-1.0 294,-0.1 -1,-0.1 0.675 84.1 53.5-134.1 -55.0 9.2 -11.6 31.3 61 80 A H S S- 0 0 73 -50,-0.0 -4,-0.4 -48,-0.0 2,-0.2 -0.796 75.4-166.6 -98.9 94.1 13.0 -11.6 31.2 62 81 A W - 0 0 19 -2,-1.0 2,-0.5 -6,-0.1 -6,-0.2 -0.564 14.6-160.8 -86.5 143.3 13.9 -8.4 29.4 63 82 A E E -E 55 0B 103 -8,-2.6 -8,-2.4 -2,-0.2 2,-0.2 -0.990 20.8-132.7-119.6 119.4 17.3 -7.5 28.0 64 83 A E E -E 54 0B 42 -2,-0.5 -10,-0.3 -10,-0.2 -12,-0.0 -0.502 27.1-166.5 -72.8 139.8 17.9 -3.8 27.3 65 84 A K E -E 53 0B 57 -12,-3.3 -12,-0.6 -2,-0.2 3,-0.1 -0.644 31.6 -68.8-118.5 172.3 19.4 -3.1 23.9 66 85 A P E - 0 0 79 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.273 68.0 -80.8 -58.6 152.1 21.0 -0.1 22.3 67 86 A V E - 0 0 49 1,-0.1 3,-0.2 -15,-0.1 -15,-0.2 -0.304 41.0-158.8 -52.9 132.7 18.8 2.9 21.4 68 87 A A E S+ 0 0 10 -17,-2.3 2,-0.5 1,-0.3 76,-0.5 0.895 80.5 20.1 -86.1 -47.5 17.0 2.1 18.1 69 88 A L E S-E 51 0B 6 -18,-1.5 -18,-2.2 13,-0.1 2,-0.5 -0.921 78.3-161.4-125.9 102.3 16.1 5.6 17.0 70 89 A L - 0 0 86 -2,-0.5 4,-0.2 -3,-0.2 3,-0.1 -0.769 36.2 -96.2 -89.2 123.5 18.2 8.3 18.7 71 90 A A > - 0 0 2 -2,-0.5 3,-2.0 -23,-0.5 2,-0.3 -0.022 49.0-106.2 -37.5 128.9 16.8 11.8 18.5 72 91 A R B 3 S+F 80 0C 78 8,-2.0 7,-2.3 1,-0.3 8,-1.1 -0.485 105.8 17.3 -71.0 124.4 18.5 13.5 15.6 73 92 A G T > S+ 0 0 31 -2,-0.3 3,-2.6 5,-0.3 -1,-0.3 0.534 85.5 173.7 88.5 9.3 21.1 15.9 16.8 74 93 A F T < S+ 0 0 73 -3,-2.0 -1,-0.2 1,-0.3 3,-0.2 -0.230 70.1 21.3 -51.9 135.1 21.2 14.4 20.3 75 94 A G T 3 S+ 0 0 75 1,-0.4 -1,-0.3 3,-0.0 2,-0.1 0.323 133.1 45.1 84.5 -7.1 23.9 16.0 22.4 76 95 A S S < S- 0 0 93 -3,-2.6 2,-0.7 -4,-0.0 -1,-0.4 -0.291 123.4 -31.8-132.7-142.8 23.8 19.0 20.0 77 96 A D - 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