==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAY-11 3RWK . COMPND 2 MOLECULE: INULINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FICUUM; . AUTHOR C.MICHAUX,J.POUYEZ,G.ROUSSEL,A.MAYARD,A.M.VANDAMME,I.HOUSEN, . 493 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 38.9 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 . 7 1.4 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 . 46 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 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 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 6 3 2 1 3 8 3 3 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 . 0 0 1 1 4 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 24 X Q 0 0 81 0, 0.0 2,-0.3 0, 0.0 465,-0.2 0.000 360.0 360.0 360.0 61.2 61.1 -27.4 32.8 2 25 X S + 0 0 110 1,-0.0 0, 0.0 464,-0.0 0, 0.0 -0.326 360.0 24.3 76.3 -45.1 59.9 -28.5 36.1 3 26 X N S > S- 0 0 69 -2,-0.3 3,-2.9 3,-0.0 -1,-0.0 -0.106 110.9-104.9-145.8 37.0 56.5 -28.2 34.4 4 27 X D T 3 - 0 0 26 1,-0.3 304,-0.1 300,-0.0 303,-0.1 0.786 67.3 -79.3 47.7 35.1 57.0 -28.6 30.6 5 28 X Y T 3 S+ 0 0 24 1,-0.2 -1,-0.3 439,-0.1 440,-0.1 0.709 73.5 179.6 46.0 24.2 56.6 -24.8 30.2 6 29 X R < - 0 0 59 -3,-2.9 -1,-0.2 438,-0.1 438,-0.2 -0.381 30.6-120.4 -56.4 125.2 52.7 -25.3 30.5 7 30 X P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.391 15.5-148.3 -57.3 141.7 51.0 -21.9 30.2 8 31 X S S S+ 0 0 56 357,-0.1 484,-0.4 1,-0.1 358,-0.1 0.654 90.1 17.8 -91.9 -10.9 49.0 -21.3 33.4 9 32 X Y S S+ 0 0 3 482,-0.1 2,-0.4 483,-0.1 -1,-0.1 0.320 108.2 82.4-137.3 7.6 46.2 -19.2 31.8 10 33 X H S S- 0 0 12 304,-0.1 2,-0.2 1,-0.0 303,-0.1 -0.869 84.3-102.1-105.8 153.3 46.4 -19.9 28.0 11 34 X F + 0 0 9 -2,-0.4 301,-2.9 302,-0.3 -2,-0.1 -0.444 42.3 167.6 -68.4 133.7 44.8 -23.0 26.4 12 35 X T - 0 0 13 299,-0.2 299,-0.1 -2,-0.2 5,-0.1 -0.958 45.6 -90.3-137.7 156.6 47.0 -26.0 25.5 13 36 X P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.301 34.4-118.0 -65.4 151.3 45.7 -29.4 24.5 14 37 X D S S- 0 0 82 1,-0.2 2,-0.3 294,-0.0 48,-0.0 0.885 97.6 -3.0 -59.1 -33.6 45.3 -31.8 27.4 15 38 X Q S S+ 0 0 93 2,-0.1 293,-0.2 294,-0.0 -1,-0.2 -0.984 112.2 2.5-150.8 151.0 48.0 -33.8 25.6 16 39 X Y E S-a 308 0A 86 291,-2.4 293,-1.6 -2,-0.3 2,-0.3 -0.225 90.8 -18.5 79.9-156.9 50.0 -33.7 22.3 17 40 X W E -aB 309 38A 38 21,-1.9 21,-2.5 291,-0.3 2,-0.4 -0.648 45.7-173.3-104.9 133.1 50.1 -31.2 19.5 18 41 X M E + B 0 37A 10 291,-2.7 19,-0.2 -2,-0.3 2,-0.1 -0.919 4.2 176.7-118.7 152.5 47.7 -28.4 18.4 19 42 X N E - 0 0 85 17,-2.5 277,-0.1 1,-0.4 256,-0.0 -0.160 56.2 -12.7-119.5-137.2 47.7 -26.2 15.3 20 43 X E E S- 0 0 27 -2,-0.1 16,-2.7 15,-0.1 -1,-0.4 -0.155 73.2-103.7 -66.7 151.8 45.1 -23.6 14.4 21 44 X P E - B 0 35A 0 0, 0.0 14,-0.4 0, 0.0 2,-0.3 -0.319 38.6-161.6 -65.1 158.8 41.7 -23.3 16.0 22 45 X N E + B 0 34A 0 12,-3.1 12,-1.5 28,-0.1 57,-0.2 -0.935 57.0 8.9-136.6 155.3 38.7 -24.6 14.1 23 46 X G E - 0 0 0 55,-2.1 2,-0.3 -2,-0.3 56,-0.2 0.715 69.1-168.0 52.4 33.8 34.9 -24.2 14.2 24 47 X L E + 0 0 3 255,-0.1 257,-1.7 10,-0.1 2,-0.3 -0.369 23.3 151.9 -59.1 118.1 34.9 -21.4 16.7 25 48 X I E -cB 281 32A 0 7,-1.4 7,-3.1 -2,-0.3 2,-0.5 -0.992 42.9-136.3-153.6 141.1 31.2 -20.9 17.8 26 49 X K E - B 0 31A 29 255,-2.6 2,-0.5 -2,-0.3 5,-0.2 -0.869 21.6-175.9 -98.1 131.1 29.1 -19.8 20.8 27 50 X I E > - B 0 30A 9 3,-3.4 3,-2.4 -2,-0.5 2,-0.2 -0.965 61.3 -47.0-128.2 108.8 26.2 -22.1 21.6 28 51 X G T 3 S- 0 0 63 -2,-0.5 94,-0.0 1,-0.3 -2,-0.0 -0.485 123.4 -24.1 65.2-131.5 23.9 -20.9 24.4 29 52 X S T 3 S+ 0 0 84 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.229 121.5 99.2 -95.9 11.9 26.2 -19.8 27.3 30 53 X T E < -B 27 0A 39 -3,-2.4 -3,-3.4 26,-0.1 2,-0.5 -0.888 60.9-151.7-104.5 127.2 29.0 -22.1 26.0 31 54 X W E -BD 26 54A 3 23,-3.0 23,-1.7 -2,-0.5 2,-0.4 -0.827 20.2-149.2 -86.3 125.8 32.0 -21.0 23.9 32 55 X H E -BD 25 53A 8 -7,-3.1 -7,-1.4 -2,-0.5 2,-0.4 -0.870 13.9-172.4-101.6 135.1 33.1 -23.9 21.7 33 56 X L E + D 0 52A 0 19,-2.4 19,-2.6 -2,-0.4 2,-0.3 -0.995 8.0 171.0-122.9 119.7 36.8 -24.3 20.7 34 57 X F E +BD 22 51A 1 -12,-1.5 -12,-3.1 -2,-0.4 2,-0.3 -0.853 9.4 174.9-112.9 170.0 37.9 -26.9 18.2 35 58 X F E -BD 21 50A 3 15,-1.1 15,-3.0 -14,-0.4 2,-0.6 -0.987 42.2 -80.8-166.0 159.7 41.4 -27.0 16.8 36 59 X Q E - D 0 49A 11 -16,-2.7 -17,-2.5 -2,-0.3 2,-0.4 -0.634 54.0-166.8 -66.3 118.2 43.7 -29.1 14.6 37 60 X H E -BD 18 48A 14 11,-3.1 11,-2.1 -2,-0.6 -19,-0.2 -0.921 23.0-170.1-119.7 133.1 44.9 -31.9 16.8 38 61 X N E > +B 17 0A 13 -21,-2.5 -21,-1.9 -2,-0.4 3,-0.7 -0.889 8.0 176.3-117.2 89.8 47.8 -34.4 16.3 39 62 X P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.678 76.4 68.4 -67.1 -16.5 47.5 -37.0 19.1 40 63 X T T 3 S- 0 0 84 6,-0.3 3,-0.1 2,-0.1 -24,-0.1 0.817 93.3-147.5 -71.0 -27.1 50.4 -39.0 17.6 41 64 X A < + 0 0 31 -3,-0.7 2,-0.3 1,-0.2 -25,-0.1 0.887 62.3 90.4 57.9 41.0 52.7 -36.1 18.6 42 65 X N S > S- 0 0 72 -25,-0.1 3,-2.1 0, 0.0 -1,-0.2 -0.927 91.5 -98.4-147.6 168.7 55.2 -36.4 15.7 43 66 X V T 3 S+ 0 0 97 1,-0.3 -2,-0.0 -2,-0.3 257,-0.0 0.576 118.1 55.3 -64.1 -14.6 55.1 -34.7 12.3 44 67 X W T 3 S+ 0 0 225 -4,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.347 81.4 120.4 -99.9 2.5 53.7 -37.6 10.5 45 68 X G < - 0 0 9 -3,-2.1 2,-0.2 1,-0.1 0, 0.0 -0.360 68.6-103.1 -74.8 152.8 50.6 -38.0 12.7 46 69 X N - 0 0 64 -2,-0.1 2,-0.4 1,-0.1 -6,-0.3 -0.435 33.9-126.7 -76.4 141.8 47.0 -37.9 11.4 47 70 X I + 0 0 30 -2,-0.2 28,-2.5 -9,-0.1 2,-0.3 -0.735 33.5 163.6 -95.7 135.8 45.0 -34.6 12.1 48 71 X C E -D 37 0A 2 -11,-2.1 -11,-3.1 -2,-0.4 2,-0.7 -0.821 45.7 -90.6-126.6 173.3 41.5 -34.6 13.7 49 72 X W E -DE 36 67A 0 18,-2.9 17,-2.8 -2,-0.3 18,-1.1 -0.830 39.2-158.1 -84.1 113.3 39.4 -31.8 15.3 50 73 X G E -D 35 0A 2 -15,-3.0 -15,-1.1 -2,-0.7 2,-0.3 -0.308 12.6-148.8 -76.3 170.7 40.1 -31.6 19.1 51 74 X H E +DE 34 63A 7 12,-0.6 12,-2.7 -17,-0.2 2,-0.3 -0.995 24.4 161.7-150.2 135.1 37.4 -29.9 21.3 52 75 X A E -DE 33 62A 0 -19,-2.6 -19,-2.4 -2,-0.3 2,-0.3 -0.961 15.2-159.6-144.6 160.9 37.1 -27.9 24.5 53 76 X T E +DE 32 61A 19 8,-1.8 8,-2.9 -2,-0.3 2,-0.3 -0.962 11.0 170.2-137.9 159.0 34.4 -25.6 26.0 54 77 X S E -D 31 0A 6 -23,-1.7 -23,-3.0 -2,-0.3 6,-0.1 -0.979 34.6-139.8-155.1 167.8 34.0 -22.8 28.5 55 78 X T S S+ 0 0 102 4,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.549 106.3 33.3-100.3 -14.6 31.5 -20.3 29.8 56 79 X D S S- 0 0 32 3,-0.3 4,-0.1 -25,-0.1 -26,-0.1 0.286 103.2-112.1-126.9 13.4 34.1 -17.5 30.1 57 80 X L S S+ 0 0 1 2,-0.2 3,-0.1 1,-0.1 277,-0.1 0.577 108.6 62.2 60.6 16.4 36.7 -18.0 27.2 58 81 X M S S+ 0 0 3 1,-0.2 2,-1.0 256,-0.1 -1,-0.1 0.633 83.7 62.4-136.2 -45.4 39.3 -18.8 29.9 59 82 X H S S- 0 0 64 -48,-0.0 -4,-0.4 2,-0.0 2,-0.3 -0.812 74.4-165.6 -93.2 98.7 38.4 -22.0 32.0 60 83 X W - 0 0 40 -2,-1.0 2,-0.6 -6,-0.1 -6,-0.2 -0.628 14.5-153.6 -93.3 139.7 38.5 -24.6 29.3 61 84 X A E -E 53 0A 42 -8,-2.9 -8,-1.8 -2,-0.3 2,-0.2 -0.940 23.4-128.1-110.9 121.1 37.0 -28.1 29.7 62 85 X H E -E 52 0A 80 -2,-0.6 -10,-0.2 -10,-0.2 -12,-0.0 -0.498 27.6-169.5 -70.1 137.5 38.7 -30.7 27.5 63 86 X K E -E 51 0A 91 -12,-2.7 -12,-0.6 -2,-0.2 3,-0.1 -0.750 28.8 -90.7-120.0 164.6 36.3 -32.8 25.4 64 87 X P E - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.278 66.8 -64.7 -69.7 166.9 37.0 -36.0 23.3 65 88 X T E - 0 0 69 1,-0.1 -15,-0.2 -15,-0.1 3,-0.2 -0.221 47.9-163.0 -43.0 134.3 37.9 -35.6 19.6 66 89 X A E S+ 0 0 16 -17,-2.8 2,-0.5 1,-0.3 60,-0.4 0.842 77.8 24.4 -94.3 -45.3 35.0 -34.1 17.8 67 90 X I E S-E 49 0A 3 -18,-1.1 -18,-2.9 8,-0.1 -1,-0.3 -0.937 83.5-154.9-125.7 105.8 35.8 -34.9 14.2 68 91 X A - 0 0 46 -2,-0.5 2,-0.4 -20,-0.2 -20,-0.1 -0.402 21.0-114.1 -76.2 153.5 38.0 -38.0 13.8 69 92 X D + 0 0 53 -2,-0.1 2,-0.3 -23,-0.1 5,-0.2 -0.760 51.0 171.3 -78.5 138.9 40.4 -38.8 11.0 70 93 X E B > +F 73 0B 103 3,-2.0 3,-2.1 -2,-0.4 0, 0.0 -0.994 45.3 6.5-154.9 140.2 38.9 -42.0 9.5 71 94 X N T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.846 130.4 -50.0 58.9 41.4 39.3 -44.2 6.5 72 95 X G T 3 S+ 0 0 47 1,-0.2 35,-1.9 34,-0.1 2,-0.6 0.439 115.0 116.5 73.1 3.8 42.4 -42.5 5.3 73 96 X V E < -FG 70 106B 17 -3,-2.1 -3,-2.0 33,-0.2 33,-0.2 -0.907 50.2-157.5-109.7 113.2 40.8 -39.1 5.5 74 97 X E E - 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