==== 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 1SK9 . 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) . 17116.0 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 . 21 4.8 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 . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 6 0 0 1 0 0 1 0 1 0 0 0 0 2 2 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 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 60 0, 0.0 8,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -43.6 29.9 -8.2 24.8 2 9 A D E -A 8 0A 31 6,-0.2 2,-0.3 241,-0.2 6,-0.2 -0.964 360.0-179.9-108.5 126.4 33.1 -6.6 23.7 3 10 A T E > -A 7 0A 66 4,-2.1 4,-2.1 -2,-0.5 105,-0.0 -0.866 38.2-114.5-123.5 160.0 36.2 -8.1 25.0 4 11 A V T 4 S+ 0 0 30 -2,-0.3 -1,-0.1 1,-0.2 108,-0.1 0.927 112.6 33.7 -52.5 -53.1 39.9 -7.3 24.6 5 12 A D T 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 20,-0.0 0.924 129.7 28.2 -77.3 -44.1 40.8 -10.5 22.7 6 13 A L T 4 S- 0 0 95 1,-0.3 20,-2.6 19,-0.1 -2,-0.2 0.542 88.0-148.5 -98.9 -12.5 37.7 -11.3 20.7 7 14 A G E < -AB 3 25A 0 -4,-2.1 -4,-2.1 18,-0.3 2,-0.6 -0.471 62.4 -2.8 74.1-150.7 36.1 -7.9 20.1 8 15 A Y E +A 2 0A 1 16,-2.8 -6,-0.2 -6,-0.2 236,-0.0 -0.748 60.2 161.3 -90.5 121.1 32.4 -7.7 19.8 9 16 A Q + 0 0 73 -8,-2.9 2,-0.3 -2,-0.6 -7,-0.1 0.187 35.5 113.5-128.7 15.3 30.5 -11.1 20.1 10 17 A a S S- 0 0 37 -9,-0.4 5,-0.2 1,-0.2 4,-0.1 -0.684 91.5 -7.7 -86.8 147.7 27.0 -10.1 20.9 11 18 A S S >> S+ 0 0 51 -2,-0.3 4,-2.8 1,-0.1 3,-2.2 0.855 76.6 174.0 41.3 46.6 24.2 -10.7 18.4 12 19 A P H 3> + 0 0 60 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.783 67.5 70.7 -65.7 -22.7 26.8 -11.8 15.8 13 20 A A H 34 S+ 0 0 59 1,-0.1 246,-0.1 2,-0.1 -2,-0.1 0.672 121.4 15.8 -59.4 -16.6 24.1 -12.8 13.3 14 21 A T H X4 S+ 0 0 26 -3,-2.2 3,-2.2 -4,-0.1 -1,-0.1 0.664 121.0 57.1-119.8 -47.9 23.4 -9.2 13.0 15 22 A S H >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.3 -2,-0.1 0.664 103.4 56.6 -72.2 -13.0 26.3 -7.1 14.4 16 23 A H T 3< S+ 0 0 33 -4,-1.3 -1,-0.3 -5,-0.3 3,-0.2 0.395 98.8 63.3 -92.8 9.7 28.9 -8.6 12.2 17 24 A L T < S+ 0 0 27 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 -0.069 71.6 95.5-123.3 33.6 26.9 -7.6 9.1 18 25 A W S X S- 0 0 0 -3,-0.5 3,-2.5 1,-0.3 -1,-0.1 0.262 75.1-145.4-108.1 23.5 27.1 -3.8 9.5 19 26 A G G > S- 0 0 0 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 -0.394 77.9 -4.1 51.7-130.3 30.1 -3.3 7.2 20 27 A Q G 3 S+ 0 0 9 1,-0.3 -1,-0.3 351,-0.2 354,-0.1 0.470 134.8 63.6 -74.2 -7.0 32.3 -0.4 8.5 21 28 A Y G < S+ 0 0 15 -3,-2.5 -1,-0.3 350,-0.1 -2,-0.2 0.416 78.7 104.8 -99.7 12.0 29.7 0.2 11.1 22 29 A S S < S- 0 0 0 -3,-2.2 350,-2.3 -6,-0.1 2,-0.2 -0.632 80.2-114.6 -74.6 138.0 30.3 -3.2 12.7 23 30 A P B -c 372 0B 0 0, 0.0 350,-0.2 0, 0.0 -15,-0.1 -0.535 50.9 -83.3 -58.8 140.6 32.2 -3.2 16.0 24 31 A F - 0 0 5 348,-2.3 -16,-2.8 -2,-0.2 2,-0.4 -0.109 50.1-172.0 -44.5 131.2 35.5 -4.9 15.5 25 32 A F B -B 7 0A 9 342,-0.3 -18,-0.3 -18,-0.3 2,-0.1 -0.999 31.0-107.2-129.5 136.3 35.2 -8.7 15.9 26 33 A S - 0 0 20 -20,-2.6 371,-0.2 -2,-0.4 370,-0.1 -0.354 22.1-165.9 -69.7 139.4 38.3 -10.9 15.9 27 34 A L > + 0 0 7 369,-2.9 3,-2.5 368,-0.1 372,-0.2 -0.011 31.4 155.6-109.3 22.9 38.8 -12.9 12.7 28 35 A E T 3 S+ 0 0 62 1,-0.3 370,-0.2 368,-0.2 6,-0.1 -0.338 76.4 1.2 -51.2 127.3 41.6 -15.2 14.4 29 36 A D T 3 S+ 0 0 92 4,-0.6 2,-0.8 368,-0.4 3,-0.5 0.555 96.3 138.0 66.3 13.0 41.6 -18.5 12.5 30 37 A E S < S- 0 0 75 -3,-2.5 -1,-0.2 1,-0.3 3,-0.1 -0.767 90.8 -28.3 -93.1 109.3 38.9 -17.3 10.1 31 38 A L S S+ 0 0 70 -2,-0.8 2,-0.3 1,-0.2 -1,-0.3 0.924 133.4 85.6 54.1 43.0 39.8 -18.4 6.5 32 39 A S S S- 0 0 30 -3,-0.5 -1,-0.2 368,-0.1 3,-0.1 -0.989 84.4-102.0-162.9 153.5 43.3 -18.2 7.9 33 40 A V - 0 0 58 -2,-0.3 -4,-0.6 1,-0.2 366,-0.6 -0.272 65.1 -71.7 -65.6 171.4 46.1 -19.8 9.9 34 41 A S - 0 0 35 -6,-0.1 -1,-0.2 1,-0.1 364,-0.1 -0.310 33.0-140.0 -62.2 146.9 46.6 -18.8 13.6 35 42 A S + 0 0 3 362,-0.2 -1,-0.1 -3,-0.1 362,-0.0 0.393 60.9 127.1 -85.1 4.8 48.0 -15.3 14.2 36 43 A K S S- 0 0 149 1,-0.1 3,-0.1 3,-0.0 80,-0.0 -0.263 77.2 -92.3 -64.2 151.3 50.2 -16.6 17.0 37 44 A L - 0 0 84 79,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.479 53.6-114.7 -58.8 118.4 53.9 -15.8 16.9 38 45 A P > - 0 0 20 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.250 40.3 -80.7 -63.9 151.3 55.3 -18.8 15.1 39 46 A K T 3 S+ 0 0 202 1,-0.3 345,-0.1 -3,-0.1 3,-0.1 -0.208 115.4 11.7 -48.8 133.6 57.7 -21.2 17.1 40 47 A D T 3 S+ 0 0 112 1,-0.2 344,-2.0 -3,-0.1 2,-0.3 0.671 102.7 122.9 67.3 20.4 61.3 -19.9 17.3 41 48 A b E < -D 383 0C 17 -3,-1.6 2,-0.4 342,-0.2 342,-0.2 -0.840 43.2-164.7-106.6 148.3 60.3 -16.5 16.0 42 49 A R E -D 382 0C 155 340,-2.1 340,-2.5 -2,-0.3 2,-0.3 -0.997 23.0-124.9-127.4 126.7 60.8 -13.1 17.7 43 50 A I E +D 381 0C 18 -2,-0.4 338,-0.3 338,-0.2 3,-0.1 -0.535 27.5 176.9 -66.5 138.3 59.0 -9.9 16.6 44 51 A T E + 0 0 23 336,-2.8 2,-0.3 1,-0.4 337,-0.2 0.538 66.1 8.6-119.8 -9.9 61.5 -7.1 15.8 45 52 A L E -D 380 0C 2 335,-1.4 335,-2.3 2,-0.0 -1,-0.4 -0.944 58.2-169.9-166.2 143.6 59.1 -4.4 14.6 46 53 A V E -De 379 324C 0 277,-2.2 279,-2.4 -2,-0.3 2,-0.5 -0.982 4.4-165.4-139.8 129.0 55.4 -3.8 14.5 47 54 A Q E -De 378 325C 0 331,-2.6 331,-3.0 -2,-0.4 2,-0.4 -0.969 12.3-160.3-103.5 134.0 53.4 -1.1 12.7 48 55 A V E -De 377 326C 0 277,-3.0 279,-2.6 -2,-0.5 2,-0.5 -0.918 8.1-169.6-110.1 139.8 49.8 -0.8 13.8 49 56 A L E +De 376 327C 0 327,-2.4 327,-2.2 -2,-0.4 2,-0.4 -0.981 19.2 179.3-127.3 116.2 47.3 1.0 11.6 50 57 A S E -De 375 328C 0 277,-3.2 279,-2.7 -2,-0.5 325,-0.2 -0.955 23.2-139.5-122.1 144.8 44.0 1.5 13.5 51 58 A R E - e 0 329C 0 323,-2.4 279,-0.2 -2,-0.4 2,-0.0 -0.400 39.6 -95.7 -83.8 161.3 40.7 3.1 12.7 52 59 A H - 0 0 1 277,-1.0 321,-2.6 1,-0.1 322,-0.4 -0.292 50.4 -99.5 -65.9 169.0 39.0 5.3 15.3 53 60 A G - 0 0 0 82,-0.4 49,-0.2 319,-0.2 -1,-0.1 -0.108 59.9 -45.9 -82.9-179.2 36.3 3.5 17.5 54 61 A A S S+ 0 0 0 318,-0.2 45,-2.2 47,-0.1 2,-0.3 -0.218 70.2 178.8 -52.7 139.8 32.5 3.4 17.3 55 62 A R B -K 98 0D 17 43,-0.3 43,-0.2 -3,-0.1 183,-0.1 -0.867 32.8 -93.6-138.6 167.6 31.1 6.9 16.7 56 63 A Y - 0 0 50 41,-2.7 40,-0.2 -2,-0.3 39,-0.1 -0.425 62.2 -83.0 -68.9 166.6 28.0 8.9 16.2 57 64 A P - 0 0 0 0, 0.0 39,-2.6 0, 0.0 40,-0.2 -0.220 56.8 -88.6 -62.4 160.2 27.0 9.5 12.6 58 65 A T > - 0 0 38 37,-0.2 4,-3.4 38,-0.1 5,-0.2 -0.226 46.2-102.4 -62.3 162.6 28.7 12.5 10.8 59 66 A S H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.944 124.1 53.6 -56.9 -39.6 26.8 15.8 11.3 60 67 A S H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 114.6 38.0 -58.6 -47.5 25.4 15.5 7.8 61 68 A K H > S+ 0 0 67 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.908 112.4 57.6 -78.5 -30.9 24.1 11.9 8.3 62 69 A S H X S+ 0 0 11 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.923 108.1 48.3 -62.8 -42.8 22.9 12.7 11.9 63 70 A K H X S+ 0 0 144 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.919 112.1 48.6 -58.2 -48.4 20.8 15.5 10.5 64 71 A K H X S+ 0 0 78 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.889 112.4 48.9 -54.6 -49.5 19.4 13.2 7.8 65 72 A Y H X S+ 0 0 1 -4,-3.4 4,-2.6 2,-0.2 -1,-0.2 0.913 111.3 47.3 -58.8 -47.1 18.6 10.5 10.3 66 73 A K H X S+ 0 0 111 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.902 111.1 53.1 -66.1 -39.2 16.9 12.7 12.7 67 74 A K H X S+ 0 0 169 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.932 111.0 47.4 -59.0 -45.5 14.8 14.3 9.9 68 75 A L H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.929 111.6 47.5 -65.3 -44.6 13.7 10.9 8.8 69 76 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.921 113.8 50.1 -62.4 -41.1 12.8 9.7 12.3 70 77 A T H X S+ 0 0 75 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.947 110.3 49.1 -62.4 -45.7 10.9 13.0 12.8 71 78 A A H X S+ 0 0 39 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.928 110.3 51.3 -63.2 -40.7 9.0 12.6 9.4 72 79 A I H X S+ 0 0 2 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.952 112.4 45.7 -55.9 -48.9 8.1 9.0 10.3 73 80 A Q H < S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.874 116.4 46.3 -64.9 -31.6 6.7 10.1 13.7 74 81 A A H < S+ 0 0 80 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.892 121.6 35.8 -73.8 -40.7 4.9 13.0 12.0 75 82 A N H < S+ 0 0 83 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.832 89.4 98.6 -88.4 -37.4 3.4 11.0 9.2 76 83 A A < - 0 0 15 -4,-3.0 142,-0.3 -5,-0.3 3,-0.1 -0.313 44.1-169.6 -65.1 134.0 2.6 7.5 10.6 77 84 A T S S+ 0 0 117 140,-3.5 2,-0.3 1,-0.3 -1,-0.1 0.627 80.6 8.4 -95.6 -18.5 -1.1 6.8 11.5 78 85 A D - 0 0 87 139,-0.8 2,-0.3 2,-0.0 -1,-0.3 -0.961 59.9-143.0-153.8 167.2 0.1 3.6 13.2 79 86 A F - 0 0 22 -2,-0.3 137,-0.2 137,-0.1 2,-0.2 -0.889 34.1-167.0-133.9 90.3 3.3 1.7 14.2 80 87 A K > - 0 0 101 135,-2.9 3,-2.1 -2,-0.3 4,-0.2 -0.474 42.4 -25.0 -97.0 150.7 2.6 -2.0 13.6 81 88 A G G > S- 0 0 57 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 -0.165 131.6 -2.2 54.8-125.6 4.5 -5.1 14.7 82 89 A K G 3 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.598 126.9 69.7 -77.8 -8.9 8.2 -4.5 15.3 83 90 A F G X + 0 0 8 -3,-2.1 3,-2.2 1,-0.2 4,-0.4 0.526 68.6 99.4 -83.0 -7.6 7.9 -0.9 14.3 84 91 A A G X S+ 0 0 49 -3,-1.5 3,-2.0 1,-0.3 4,-0.4 0.860 72.0 63.4 -48.8 -40.1 5.8 -0.1 17.4 85 92 A F G >> S+ 0 0 38 -3,-0.4 3,-0.8 1,-0.3 4,-0.8 0.752 86.0 74.0 -55.9 -26.5 8.9 1.4 19.2 86 93 A L G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.732 81.6 72.3 -66.5 -21.3 9.2 4.2 16.6 87 94 A K G <4 S+ 0 0 107 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.957 114.6 19.5 -54.5 -50.5 6.2 5.8 18.1 88 95 A T T <4 S+ 0 0 106 -3,-0.8 -1,-0.2 -4,-0.4 2,-0.2 0.277 89.4 135.5-104.6 8.0 8.1 6.9 21.2 89 96 A Y < - 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