==== 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 1SKB . 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) . 17493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.6 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 . 22 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.6 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 2 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 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 53 0, 0.0 8,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -37.5 6.4 11.6 47.4 2 9 A D E +A 8 0A 30 241,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.913 360.0 177.4-111.0 128.0 9.8 10.1 47.2 3 10 A T E > -A 7 0A 69 4,-1.6 4,-1.8 -2,-0.5 105,-0.0 -0.885 39.7-113.9-127.9 158.2 12.6 11.4 44.9 4 11 A V T 4 S+ 0 0 31 -2,-0.3 -1,-0.1 1,-0.2 108,-0.1 0.921 113.0 36.1 -51.4 -49.1 16.2 10.6 44.3 5 12 A D T 4 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.895 129.2 26.0 -81.1 -40.9 17.6 13.8 45.7 6 13 A L T 4 S- 0 0 94 1,-0.3 20,-2.3 19,-0.1 -1,-0.2 0.497 87.8-148.7-106.9 -5.4 15.3 14.6 48.6 7 14 A G E < -AB 3 25A 0 -4,-1.8 -4,-1.6 18,-0.3 2,-0.6 -0.421 62.3 -1.8 68.2-144.1 13.9 11.3 49.7 8 15 A Y E +A 2 0A 1 16,-3.1 -6,-0.2 -6,-0.2 236,-0.0 -0.688 61.6 161.1 -94.7 116.7 10.4 11.1 51.2 9 16 A Q + 0 0 76 -8,-2.8 2,-0.3 -2,-0.6 -1,-0.1 0.365 33.8 111.2-119.5 4.4 8.7 14.5 51.5 10 17 A a S S- 0 0 41 -9,-0.3 5,-0.3 1,-0.2 4,-0.1 -0.601 90.0 -5.6 -85.1 143.7 5.0 13.8 51.9 11 18 A S S >> S+ 0 0 55 -2,-0.3 4,-3.0 1,-0.1 3,-2.2 0.874 73.3 176.0 48.2 51.7 3.2 14.5 55.1 12 19 A P H 3> S+ 0 0 65 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.763 70.9 68.6 -63.0 -27.9 6.4 15.4 57.0 13 20 A A H 34 S+ 0 0 55 1,-0.1 246,-0.1 2,-0.1 -2,-0.1 0.563 121.9 17.6 -65.5 -7.0 4.6 16.4 60.2 14 21 A T H X4 S+ 0 0 25 -3,-2.2 3,-1.9 -4,-0.1 -1,-0.1 0.613 123.5 52.2-121.6 -53.8 3.9 12.6 60.4 15 22 A S H 3< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.3 -2,-0.1 0.654 104.9 55.6 -71.4 -18.8 6.2 10.6 58.2 16 23 A H T 3< S+ 0 0 31 -4,-1.2 -1,-0.3 -5,-0.3 3,-0.2 0.370 100.5 65.8 -88.0 6.9 9.5 12.1 59.5 17 24 A L S < S+ 0 0 25 -3,-1.9 246,-0.2 1,-0.1 -1,-0.2 -0.053 70.6 91.4-119.8 30.3 8.4 11.1 63.1 18 25 A W S > S- 0 0 0 -3,-0.5 3,-2.3 1,-0.3 -1,-0.1 0.219 75.4-146.2-109.8 14.1 8.5 7.3 62.8 19 26 A G G > S- 0 0 0 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 -0.358 79.1 -2.3 59.4-133.3 12.1 6.8 63.9 20 27 A Q G 3 S+ 0 0 9 1,-0.3 -1,-0.3 351,-0.2 354,-0.1 0.507 134.6 63.3 -70.1 -3.7 13.7 3.8 62.1 21 28 A Y G < S+ 0 0 14 -3,-2.3 -1,-0.3 350,-0.1 -2,-0.2 0.398 80.1 104.1 -99.3 3.3 10.4 3.3 60.4 22 29 A S S < S- 0 0 0 -3,-2.1 350,-2.6 -6,-0.1 2,-0.2 -0.662 79.5-115.9 -74.5 136.0 10.5 6.7 58.7 23 30 A P B -c 372 0B 0 0, 0.0 350,-0.2 0, 0.0 -15,-0.1 -0.505 49.5 -83.4 -62.7 139.0 11.4 6.6 55.0 24 31 A F - 0 0 5 348,-2.3 -16,-3.1 -2,-0.2 2,-0.4 -0.131 49.9-173.2 -40.0 130.4 14.7 8.3 54.3 25 32 A F B -B 7 0A 7 342,-0.3 -18,-0.3 -18,-0.3 2,-0.1 -0.999 31.3-105.7-131.2 134.3 14.4 12.1 54.0 26 33 A S - 0 0 18 -20,-2.3 371,-0.2 -2,-0.4 370,-0.1 -0.365 22.8-166.3 -64.3 131.2 17.4 14.2 52.9 27 34 A L > + 0 0 8 369,-2.9 3,-2.4 -2,-0.1 372,-0.2 0.021 31.3 154.5-104.7 25.1 19.0 16.3 55.7 28 35 A E T 3 S- 0 0 48 1,-0.3 370,-0.2 370,-0.1 6,-0.1 -0.315 76.2 -0.9 -52.9 128.8 20.9 18.4 53.3 29 36 A D T > S+ 0 0 91 4,-0.6 2,-0.8 368,-0.4 3,-0.6 0.549 95.2 139.1 63.9 10.1 21.7 21.7 54.9 30 37 A E T < S- 0 0 100 -3,-2.4 -1,-0.2 1,-0.3 3,-0.1 -0.760 91.7 -27.8 -90.0 112.5 19.8 20.7 58.1 31 38 A L T 3 S+ 0 0 66 -2,-0.8 2,-0.3 1,-0.2 -1,-0.3 0.933 133.2 86.8 44.9 49.5 21.8 21.9 61.1 32 39 A S S < S- 0 0 29 -3,-0.6 -1,-0.2 368,-0.1 3,-0.1 -0.979 82.8-105.1-168.1 149.9 24.7 21.5 58.7 33 40 A V - 0 0 61 -2,-0.3 -4,-0.6 1,-0.2 366,-0.6 -0.291 66.1 -68.3 -70.2 168.4 26.8 23.1 56.0 34 41 A S - 0 0 41 1,-0.1 -1,-0.2 -6,-0.1 364,-0.1 -0.271 32.7-141.4 -57.8 146.8 26.3 21.9 52.4 35 42 A S + 0 0 1 362,-0.2 -1,-0.1 -3,-0.1 363,-0.1 0.409 61.9 127.4 -86.5 4.8 27.3 18.4 51.6 36 43 A K S S- 0 0 140 1,-0.1 3,-0.1 3,-0.0 80,-0.0 -0.235 76.9 -94.9 -64.3 148.0 28.5 19.6 48.2 37 44 A L - 0 0 85 79,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.481 52.0-115.6 -59.6 121.5 32.1 18.7 47.2 38 45 A P > - 0 0 22 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.198 40.2 -78.1 -64.9 156.7 34.1 21.8 48.2 39 46 A K T 3 S+ 0 0 185 1,-0.3 345,-0.1 -3,-0.1 3,-0.1 -0.231 114.7 10.3 -55.3 138.1 35.8 23.9 45.6 40 47 A D T 3 S+ 0 0 99 1,-0.2 344,-2.4 -3,-0.1 2,-0.3 0.766 101.1 123.0 62.5 29.9 39.1 22.6 44.2 41 48 A b E < -D 383 0C 17 -3,-1.3 2,-0.4 342,-0.2 342,-0.2 -0.912 42.6-164.2-119.3 149.5 38.5 19.2 45.9 42 49 A R E -D 382 0C 154 340,-1.9 340,-2.6 -2,-0.3 2,-0.3 -0.999 24.1-120.2-132.3 130.3 38.4 15.8 44.2 43 50 A I E +D 381 0C 19 -2,-0.4 338,-0.3 338,-0.2 3,-0.1 -0.518 29.4 175.3 -67.4 130.6 37.0 12.6 45.8 44 51 A T E + 0 0 26 336,-2.8 2,-0.3 1,-0.4 337,-0.2 0.644 67.6 7.1-108.7 -22.4 39.7 9.8 46.0 45 52 A L E -D 380 0C 2 335,-1.5 335,-2.4 2,-0.0 -1,-0.4 -0.972 59.7-169.3-152.4 145.2 37.7 7.2 47.9 46 53 A V E -De 379 324C 0 277,-2.1 279,-2.3 -2,-0.3 2,-0.5 -0.974 3.8-166.1-140.0 133.5 34.2 6.7 49.0 47 54 A Q E -De 378 325C 0 331,-2.4 331,-2.8 -2,-0.4 2,-0.4 -0.958 10.7-161.1-106.2 127.1 32.7 4.2 51.4 48 55 A V E -De 377 326C 0 277,-3.1 279,-2.4 -2,-0.5 2,-0.5 -0.917 7.2-169.8-106.9 137.9 28.9 3.8 51.5 49 56 A L E -De 376 327C 0 327,-2.2 327,-2.3 -2,-0.4 2,-0.4 -0.984 18.3-178.5-124.2 112.1 27.1 2.2 54.4 50 57 A S E -De 375 328C 0 277,-3.0 279,-2.7 -2,-0.5 325,-0.2 -0.931 20.9-141.0-117.3 137.4 23.4 1.6 53.5 51 58 A R E - e 0 329C 1 323,-2.7 279,-0.2 -2,-0.4 321,-0.0 -0.485 38.4 -95.6 -76.9 160.5 20.5 0.2 55.4 52 59 A H - 0 0 2 277,-1.2 321,-2.6 -2,-0.2 322,-0.4 -0.248 49.3 -99.0 -61.0 164.5 18.0 -2.0 53.6 53 60 A G - 0 0 0 82,-0.4 49,-0.2 319,-0.2 -1,-0.1 -0.116 57.5 -49.8 -79.4 179.9 14.8 -0.3 52.3 54 61 A A - 0 0 0 318,-0.2 45,-2.1 47,-0.1 48,-0.3 -0.254 68.0-178.7 -51.6 137.6 11.3 -0.1 53.7 55 62 A R B -K 98 0D 19 43,-0.3 43,-0.2 -3,-0.1 183,-0.1 -0.823 30.1 -94.2-134.4 170.1 9.9 -3.5 54.8 56 63 A Y - 0 0 50 41,-2.5 40,-0.2 -2,-0.3 39,-0.2 -0.391 61.5 -79.8 -73.0 165.5 7.0 -5.4 56.2 57 64 A P - 0 0 0 0, 0.0 39,-2.5 0, 0.0 -1,-0.2 -0.244 58.8 -91.7 -58.3 154.6 6.9 -6.1 59.9 58 65 A T > - 0 0 31 37,-0.2 4,-3.2 38,-0.1 5,-0.3 -0.259 43.0-101.5 -60.0 161.7 9.0 -9.0 61.1 59 66 A S H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.931 124.4 47.4 -54.1 -43.6 7.2 -12.3 61.2 60 67 A S H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 114.8 44.5 -67.0 -39.9 6.8 -12.0 65.0 61 68 A K H > S+ 0 0 69 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.884 110.4 54.8 -69.3 -38.8 5.6 -8.4 64.9 62 69 A S H X S+ 0 0 15 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.909 108.3 49.5 -59.7 -39.5 3.3 -9.2 62.0 63 70 A K H X S+ 0 0 171 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.917 112.5 48.6 -62.7 -44.1 1.7 -12.0 64.1 64 71 A K H X S+ 0 0 60 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 112.5 46.9 -65.3 -43.5 1.3 -9.6 67.0 65 72 A Y H X S+ 0 0 2 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.927 112.3 48.6 -66.4 -44.9 -0.3 -6.8 64.8 66 73 A K H X S+ 0 0 112 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.903 109.6 54.0 -60.5 -41.9 -2.7 -9.1 63.1 67 74 A K H X S+ 0 0 157 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.4 47.0 -57.0 -45.2 -3.7 -10.6 66.5 68 75 A L H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.936 111.8 47.7 -64.7 -47.9 -4.5 -7.1 67.8 69 76 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.919 113.2 50.5 -60.6 -41.7 -6.5 -6.0 64.8 70 77 A T H X S+ 0 0 77 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.919 110.9 47.7 -61.7 -46.6 -8.5 -9.2 65.0 71 78 A A H X S+ 0 0 42 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.861 110.6 51.9 -63.5 -39.2 -9.2 -8.8 68.7 72 79 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.947 113.0 44.7 -60.8 -48.0 -10.3 -5.1 68.2 73 80 A Q H < S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.805 114.2 50.7 -67.4 -27.5 -12.7 -6.3 65.4 74 81 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.777 121.6 31.0 -76.8 -26.8 -13.9 -9.2 67.6 75 82 A N H < S+ 0 0 86 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.734 89.8 99.2-107.8 -32.3 -14.6 -7.0 70.7 76 83 A A < - 0 0 16 -4,-2.7 142,-0.2 -5,-0.2 3,-0.1 -0.419 42.7-170.6 -69.6 133.5 -15.6 -3.5 69.6 77 84 A T S S+ 0 0 116 140,-2.8 2,-0.3 1,-0.3 -1,-0.1 0.518 79.2 16.0 -95.4 -9.9 -19.4 -2.7 69.6 78 85 A D - 0 0 68 139,-0.7 2,-0.4 2,-0.0 -1,-0.3 -0.972 60.5-148.5-157.7 152.2 -18.8 0.6 67.8 79 86 A F - 0 0 20 -2,-0.3 137,-0.2 137,-0.1 2,-0.2 -0.847 32.3-166.2-125.9 92.0 -15.9 2.2 65.8 80 87 A K > - 0 0 95 135,-2.6 3,-1.9 -2,-0.4 4,-0.1 -0.478 40.0 -27.1 -92.1 148.4 -16.2 6.0 66.4 81 88 A G G > S- 0 0 59 1,-0.3 3,-2.1 2,-0.2 4,-0.2 -0.227 129.6 -2.1 58.5-133.7 -14.7 9.0 64.7 82 89 A K G 3 S+ 0 0 123 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.601 127.6 68.4 -70.6 -8.7 -11.3 8.4 63.0 83 90 A F G X S+ 0 0 6 -3,-1.9 3,-1.8 1,-0.2 -1,-0.3 0.438 70.2 101.0 -84.1 -0.5 -11.4 4.8 64.2 84 91 A A G X S+ 0 0 54 -3,-2.1 3,-1.9 1,-0.3 4,-0.4 0.863 70.2 63.2 -53.3 -42.6 -14.3 4.1 61.8 85 92 A F G >> S+ 0 0 40 -3,-0.5 4,-1.2 1,-0.3 3,-0.7 0.716 86.2 75.5 -56.2 -23.5 -12.1 2.4 59.2 86 93 A L G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.654 81.4 68.1 -70.1 -15.8 -11.2 -0.3 61.7 87 94 A K G <4 S+ 0 0 131 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.939 118.2 21.0 -62.8 -45.5 -14.6 -2.0 61.2 88 95 A T T <4 S+ 0 0 118 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.404 89.4 128.5-106.0 -1.9 -13.6 -3.0 57.6 89 96 A Y < - 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