==== 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 04-MAR-04 1SKA . COMPND 2 MOLECULE: 3-PHYTASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR Q.LIU,Q.HUANG,X.G.LEI,Q.HAO . 435 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 5 1 0 1 0 0 1 0 1 0 0 0 0 2 2 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 2 3 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 1 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 8 A a 0 0 54 0, 0.0 8,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -43.5 27.6 8.3 3.3 2 9 A D E -A 8 0A 33 241,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.799 360.0-161.4 -83.1 120.3 26.1 9.9 0.3 3 10 A T E > -A 7 0A 57 4,-2.2 4,-1.8 -2,-0.5 105,-0.0 -0.839 24.1-130.6-103.0 146.0 26.7 13.7 0.1 4 11 A V T 4 S+ 0 0 40 -2,-0.4 -1,-0.1 1,-0.2 108,-0.1 0.933 107.7 35.7 -52.7 -50.3 24.8 16.2 -1.9 5 12 A D T 4 S+ 0 0 87 1,-0.1 -1,-0.2 2,-0.1 20,-0.0 0.906 133.0 20.6 -78.1 -34.1 28.0 17.7 -3.2 6 13 A L T 4 S- 0 0 88 1,-0.3 20,-2.7 20,-0.1 -2,-0.2 0.409 91.7-143.0-117.2 0.1 30.3 14.8 -3.6 7 14 A G E < +AB 3 25A 0 -4,-1.8 -4,-2.2 18,-0.2 2,-0.5 -0.371 60.2 4.5 66.5-145.7 28.0 11.8 -3.8 8 15 A Y E +A 2 0A 0 16,-3.0 -6,-0.2 -6,-0.2 236,-0.0 -0.562 55.7 159.5 -93.4 120.4 28.9 8.4 -2.3 9 16 A Q + 0 0 75 -8,-2.3 2,-0.4 -2,-0.5 -1,-0.1 0.097 31.8 119.1-128.7 30.7 32.1 8.2 -0.2 10 17 A a S S- 0 0 38 1,-0.2 5,-0.3 2,-0.1 4,-0.1 -0.792 94.5 -12.9 -94.8 135.5 31.6 5.2 1.9 11 18 A S S >> S+ 0 0 65 -2,-0.4 4,-2.9 1,-0.1 3,-2.1 0.858 79.6 177.4 41.7 53.3 34.3 2.4 1.4 12 19 A P H 3> + 0 0 59 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.752 68.5 69.1 -62.5 -29.5 35.4 4.2 -1.9 13 20 A A H 34 S+ 0 0 61 1,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.842 120.6 19.3 -57.1 -24.8 38.2 1.6 -2.6 14 21 A T H X4 S+ 0 0 33 -3,-2.1 3,-2.0 2,-0.1 -1,-0.1 0.810 122.4 55.2-108.2 -48.3 35.3 -0.8 -3.3 15 22 A S H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.3 -2,-0.1 0.663 103.5 56.9 -68.6 -20.3 32.2 1.2 -4.0 16 23 A H T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 -5,-0.3 3,-0.2 0.403 99.8 63.5 -85.1 8.0 33.8 3.3 -6.8 17 24 A L < + 0 0 29 -3,-2.0 246,-0.2 1,-0.2 -1,-0.2 -0.128 69.9 94.3-124.6 33.7 34.6 0.0 -8.6 18 25 A W S > S- 0 0 0 -3,-0.4 3,-2.4 1,-0.4 -1,-0.2 0.216 75.4-145.2-108.8 15.4 31.1 -1.3 -9.4 19 26 A G G > S- 0 0 0 1,-0.3 3,-2.2 -3,-0.2 -1,-0.4 -0.347 79.3 -3.1 56.4-131.5 30.8 0.2 -12.9 20 27 A Q G 3 S+ 0 0 9 1,-0.3 -1,-0.3 351,-0.2 354,-0.1 0.525 135.0 62.9 -73.0 -2.8 27.2 1.3 -13.6 21 28 A Y G < S+ 0 0 21 -3,-2.4 -1,-0.3 350,-0.1 -2,-0.2 0.361 79.3 104.4 -98.2 6.4 26.3 -0.2 -10.3 22 29 A S S < S- 0 0 0 -3,-2.2 350,-1.9 -6,-0.1 2,-0.2 -0.668 80.0-117.2 -75.3 133.0 28.5 2.3 -8.4 23 30 A P B -c 372 0B 0 0, 0.0 350,-0.2 0, 0.0 -15,-0.1 -0.550 50.0 -81.9 -61.5 141.9 26.5 5.1 -6.7 24 31 A F - 0 0 5 348,-2.5 -16,-3.0 -2,-0.2 2,-0.3 -0.107 52.8-177.9 -43.2 133.9 27.5 8.5 -8.2 25 32 A F B -B 7 0A 8 342,-0.3 -18,-0.2 -18,-0.3 2,-0.1 -0.993 33.0-102.2-135.2 139.1 30.8 9.9 -6.7 26 33 A S - 0 0 18 -20,-2.7 371,-0.2 -2,-0.3 370,-0.1 -0.353 24.2-170.5 -67.2 136.0 32.2 13.3 -7.8 27 34 A L > + 0 0 5 369,-2.8 3,-2.4 368,-0.1 370,-0.2 0.114 30.4 153.6-111.6 26.4 35.1 13.3 -10.2 28 35 A E T 3 S+ 0 0 53 1,-0.3 370,-0.2 368,-0.2 6,-0.1 -0.236 74.8 2.5 -51.9 130.3 35.7 17.0 -9.7 29 36 A D T > S+ 0 0 90 4,-0.8 2,-0.7 368,-0.4 3,-0.7 0.480 91.3 135.2 67.3 7.8 39.5 17.6 -10.4 30 37 A E T < S- 0 0 74 -3,-2.4 -1,-0.2 1,-0.3 3,-0.1 -0.763 96.3 -23.3 -88.8 116.6 40.3 14.0 -11.4 31 38 A L T 3 S+ 0 0 82 -2,-0.7 2,-0.3 1,-0.2 -1,-0.3 0.890 135.2 79.4 52.5 37.7 42.4 14.3 -14.4 32 39 A S S < S- 0 0 29 -3,-0.7 -1,-0.2 368,-0.1 368,-0.1 -0.989 81.3 -98.0-157.8 166.2 40.7 17.7 -14.9 33 40 A V - 0 0 57 -2,-0.3 -4,-0.8 366,-0.3 366,-0.6 -0.313 63.3 -62.2 -82.8 173.1 40.6 21.4 -13.9 34 41 A S - 0 0 41 1,-0.1 -1,-0.2 -6,-0.1 364,-0.0 -0.302 33.9-143.4 -53.0 144.4 38.2 22.9 -11.3 35 42 A S + 0 0 5 362,-0.1 -1,-0.1 -3,-0.1 362,-0.0 0.316 60.4 126.4 -86.8 5.3 34.6 22.8 -12.1 36 43 A K S S- 0 0 151 1,-0.1 3,-0.0 3,-0.0 80,-0.0 -0.181 74.2 -96.7 -65.8 155.3 34.0 26.2 -10.5 37 44 A L - 0 0 79 79,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.623 48.9-113.0 -71.1 120.7 32.3 29.1 -12.4 38 45 A P > - 0 0 20 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.165 34.8 -96.4 -58.0 143.0 35.1 31.2 -13.9 39 46 A K T 3 S+ 0 0 171 1,-0.3 346,-0.2 344,-0.0 3,-0.1 -0.326 109.7 20.6 -58.4 137.2 35.5 34.7 -12.6 40 47 A D T 3 S+ 0 0 87 1,-0.2 344,-3.1 -3,-0.1 345,-0.4 0.547 104.0 104.5 77.7 9.1 33.8 37.2 -14.9 41 48 A b E < -D 383 0C 15 -3,-1.8 2,-0.4 342,-0.3 342,-0.2 -0.916 50.2-161.4-124.6 152.3 31.5 34.7 -16.5 42 49 A R E -D 382 0C 153 340,-2.4 340,-2.5 -2,-0.4 2,-0.3 -0.979 26.3-116.1-129.4 134.8 27.8 34.0 -16.0 43 50 A I E +D 381 0C 20 -2,-0.4 338,-0.3 338,-0.2 3,-0.1 -0.604 30.1 177.8 -68.7 132.6 26.0 30.8 -17.0 44 51 A T E + 0 0 16 336,-2.7 2,-0.3 1,-0.3 337,-0.2 0.590 66.8 9.1-106.1 -15.3 23.4 31.6 -19.7 45 52 A L E -D 380 0C 0 335,-1.5 335,-2.4 277,-0.0 2,-0.4 -0.962 59.7-169.0-160.5 135.9 22.1 28.1 -20.4 46 53 A V E -De 379 324C 0 277,-2.1 279,-2.7 -2,-0.3 2,-0.5 -0.977 3.8-165.4-133.6 131.7 22.5 24.7 -18.7 47 54 A Q E -De 378 325C 0 331,-2.5 331,-2.7 -2,-0.4 2,-0.4 -0.948 10.5-162.4-103.5 127.6 21.4 21.2 -20.0 48 55 A V E -De 377 326C 0 277,-3.0 279,-2.4 -2,-0.5 2,-0.4 -0.924 5.5-169.0-105.3 142.0 21.4 18.4 -17.5 49 56 A L E +De 376 327C 0 327,-2.2 327,-2.3 -2,-0.4 2,-0.4 -0.994 19.2 176.9-128.3 118.8 21.4 14.7 -18.7 50 57 A S E -De 375 328C 0 277,-2.5 279,-2.7 -2,-0.4 325,-0.2 -0.969 23.4-146.9-128.9 151.3 20.7 12.2 -15.8 51 58 A R - 0 0 2 323,-2.2 279,-0.2 -2,-0.4 -2,-0.0 -0.572 39.7 -90.9 -93.4 167.0 20.2 8.5 -15.2 52 59 A H - 0 0 6 277,-0.4 321,-2.7 -2,-0.2 322,-0.4 -0.228 47.4-105.1 -68.5 163.5 18.0 6.9 -12.6 53 60 A G - 0 0 0 82,-0.3 49,-0.2 319,-0.3 -1,-0.1 -0.053 56.9 -45.1 -81.2-172.8 19.3 6.1 -9.1 54 61 A A + 0 0 0 318,-0.2 45,-2.1 47,-0.1 2,-0.2 -0.243 66.6 179.4 -51.6 141.6 20.2 3.0 -7.3 55 62 A R B -K 98 0D 25 43,-0.3 43,-0.2 -3,-0.1 42,-0.1 -0.807 32.7 -93.2-139.6 168.1 17.7 0.1 -7.9 56 63 A Y - 0 0 52 41,-2.7 40,-0.2 -2,-0.2 39,-0.1 -0.433 63.7 -80.6 -68.6 162.7 16.9 -3.5 -7.0 57 64 A P - 0 0 0 0, 0.0 39,-2.7 0, 0.0 -1,-0.2 -0.247 57.2 -92.8 -57.0 154.7 18.1 -6.1 -9.6 58 65 A T > - 0 0 35 37,-0.2 4,-3.6 38,-0.1 5,-0.3 -0.329 41.8-102.2 -61.7 160.6 15.8 -6.5 -12.6 59 66 A S H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.884 124.6 50.9 -52.8 -45.0 13.2 -9.3 -12.2 60 67 A S H > S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.917 115.6 40.4 -56.8 -48.9 15.4 -11.5 -14.5 61 68 A K H > S+ 0 0 67 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.882 109.0 58.7 -75.9 -32.7 18.5 -10.8 -12.5 62 69 A S H X S+ 0 0 13 -4,-3.6 4,-2.4 1,-0.2 5,-0.2 0.897 107.6 49.1 -63.7 -35.9 16.8 -11.0 -9.0 63 70 A K H X S+ 0 0 163 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.875 110.6 49.4 -69.9 -41.5 15.7 -14.6 -9.9 64 71 A K H X S+ 0 0 85 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.938 114.9 44.4 -63.9 -44.7 19.2 -15.6 -11.0 65 72 A Y H X S+ 0 0 1 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.922 114.8 47.8 -63.8 -40.3 20.7 -14.2 -7.8 66 73 A K H X S+ 0 0 113 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.925 111.2 50.7 -71.3 -37.3 18.1 -15.6 -5.5 67 74 A K H X S+ 0 0 163 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.927 114.0 46.1 -63.9 -39.9 18.4 -19.1 -7.3 68 75 A L H X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.914 114.1 45.4 -68.7 -46.9 22.3 -18.9 -6.8 69 76 A V H X S+ 0 0 1 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.960 114.7 49.8 -62.8 -42.8 22.3 -17.8 -3.2 70 77 A T H X S+ 0 0 78 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.902 110.2 50.9 -56.7 -45.0 19.6 -20.4 -2.4 71 78 A A H X S+ 0 0 38 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.900 109.1 49.2 -67.2 -46.0 21.6 -23.2 -4.2 72 79 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.931 113.6 47.4 -51.5 -46.5 24.8 -22.4 -2.2 73 80 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.908 113.5 48.5 -67.8 -40.8 22.8 -22.5 0.9 74 81 A A H < S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 122.0 32.4 -58.4 -41.5 21.1 -25.8 -0.1 75 82 A N H < S+ 0 0 93 -4,-2.3 -2,-0.2 -5,-0.1 2,-0.2 0.593 87.8 102.9 -99.0 -27.1 24.3 -27.6 -1.1 76 83 A A < - 0 0 15 -4,-2.5 142,-0.2 -5,-0.2 3,-0.1 -0.493 44.9-165.2 -71.1 139.0 27.2 -26.4 1.1 77 84 A T S S+ 0 0 114 140,-3.2 2,-0.3 1,-0.3 -1,-0.2 0.693 83.2 9.7 -86.5 -23.9 28.4 -28.6 4.0 78 85 A D - 0 0 71 139,-0.7 2,-0.7 2,-0.0 -1,-0.3 -0.979 64.4-140.7-150.2 143.2 30.2 -25.7 5.5 79 86 A F - 0 0 33 -2,-0.3 2,-0.3 -3,-0.1 137,-0.2 -0.895 37.0-153.6-106.6 104.2 30.4 -22.0 4.8 80 87 A K > - 0 0 81 135,-3.1 3,-2.2 -2,-0.7 4,-0.1 -0.541 36.1 -43.6 -89.0 135.9 34.1 -21.2 5.3 81 88 A G G > S+ 0 0 60 -2,-0.3 3,-2.6 1,-0.3 4,-0.2 -0.236 128.3 6.7 62.2-132.8 35.9 -18.0 6.3 82 89 A K G > S+ 0 0 123 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.711 130.2 60.3 -64.8 -17.2 34.6 -14.9 4.6 83 90 A F G X S+ 0 0 3 -3,-2.2 3,-1.9 1,-0.2 4,-0.3 0.530 75.0 97.5 -83.6 2.5 31.7 -16.9 3.1 84 91 A A G X + 0 0 44 -3,-2.6 3,-1.9 1,-0.3 4,-0.3 0.785 66.7 71.8 -70.6 -21.9 30.3 -18.0 6.5 85 92 A F G X> S+ 0 0 37 -3,-0.5 4,-2.0 1,-0.3 3,-1.2 0.753 81.5 74.8 -57.7 -25.4 27.7 -15.2 6.5 86 93 A L G <4 S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.745 78.5 75.4 -65.5 -17.1 25.9 -17.2 3.8 87 94 A K G <4 S+ 0 0 151 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.929 115.9 15.1 -53.7 -44.9 24.9 -19.6 6.6 88 95 A T T <4 S+ 0 0 102 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.497 91.6 125.5-109.5 -10.7 22.3 -17.0 7.8 89 96 A Y < - 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