==== 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 1SK8 . COMPND 2 MOLECULE: 3-PHYTASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR Q.LIU,Q.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) . 17100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 67.4 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 . 25 5.7 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 . 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 1 0 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 57 0, 0.0 8,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -33.6 15.4 21.1 -15.3 2 9 A D E -A 8 0A 32 6,-0.2 2,-0.3 241,-0.2 6,-0.2 -0.926 360.0-170.9-111.7 130.2 14.0 24.1 -13.5 3 10 A T E > -A 7 0A 65 4,-1.6 4,-2.1 -2,-0.5 105,-0.0 -0.884 33.1-123.0-122.0 157.4 14.2 24.6 -9.8 4 11 A V T 4 S+ 0 0 31 -2,-0.3 -1,-0.1 1,-0.2 108,-0.1 0.930 111.3 36.3 -55.3 -49.2 12.8 26.9 -7.2 5 12 A D T 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.900 131.4 22.2 -77.7 -39.4 16.1 28.0 -6.0 6 13 A L T 4 S- 0 0 90 1,-0.3 20,-2.9 20,-0.1 -2,-0.2 0.464 87.7-144.5-113.2 -7.8 18.3 28.1 -9.1 7 14 A G E < +AB 3 25A 0 -4,-2.1 -4,-1.6 18,-0.3 2,-0.5 -0.408 61.4 1.0 74.1-151.8 16.0 28.4 -12.0 8 15 A Y E +A 2 0A 2 16,-2.8 -6,-0.2 -6,-0.2 236,-0.0 -0.640 57.4 160.4 -89.0 121.9 16.8 26.7 -15.3 9 16 A Q + 0 0 74 -8,-2.7 2,-0.4 -2,-0.5 -1,-0.1 0.141 31.9 116.4-132.9 22.3 19.9 24.6 -15.5 10 17 A a S S- 0 0 37 1,-0.2 5,-0.3 -9,-0.2 4,-0.1 -0.763 95.6 -11.1 -89.3 136.4 19.5 22.2 -18.4 11 18 A S S >> S+ 0 0 65 -2,-0.4 4,-2.8 1,-0.1 3,-2.3 0.835 80.2 176.3 44.3 50.8 22.0 22.7 -21.2 12 19 A P H 3> + 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.729 68.2 69.1 -65.6 -22.0 23.1 26.0 -19.6 13 20 A A H 34 S+ 0 0 57 1,-0.2 -2,-0.1 2,-0.1 246,-0.0 0.753 120.1 21.3 -65.2 -20.2 25.9 26.6 -22.1 14 21 A T H X4 S+ 0 0 31 -3,-2.3 3,-2.2 -4,-0.1 -1,-0.2 0.776 121.8 54.3-105.3 -48.7 23.0 27.2 -24.6 15 22 A S H 3< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.3 -2,-0.1 0.629 103.7 56.7 -73.2 -14.5 20.0 28.0 -22.5 16 23 A H T 3< S+ 0 0 33 -4,-1.5 -1,-0.3 -5,-0.3 3,-0.2 0.389 98.9 65.0 -91.1 4.8 21.7 30.9 -20.6 17 24 A L < + 0 0 30 -3,-2.2 246,-0.2 1,-0.2 -1,-0.2 -0.096 69.6 95.9-117.6 32.3 22.5 32.6 -23.9 18 25 A W S > S- 0 0 0 -3,-0.5 3,-2.4 1,-0.3 -1,-0.2 0.217 73.7-146.0-100.7 17.5 19.0 33.4 -25.1 19 26 A G G > S- 0 0 0 1,-0.3 3,-2.5 -3,-0.2 -1,-0.3 -0.279 79.6 -4.9 50.5-136.4 18.8 37.0 -23.8 20 27 A Q G 3 S+ 0 0 7 1,-0.3 -1,-0.3 351,-0.2 354,-0.1 0.515 134.7 64.1 -65.6 -2.0 15.3 37.8 -22.7 21 28 A Y G < S+ 0 0 11 -3,-2.4 -1,-0.3 350,-0.1 -2,-0.2 0.376 78.2 106.3-101.0 1.9 14.2 34.4 -24.0 22 29 A S S < S- 0 0 0 -3,-2.5 350,-2.1 -6,-0.1 3,-0.1 -0.677 79.5-116.8 -70.6 133.7 16.4 32.6 -21.5 23 30 A P B -c 372 0B 0 0, 0.0 350,-0.2 0, 0.0 -15,-0.1 -0.487 51.9 -81.4 -60.6 139.3 14.4 31.0 -18.6 24 31 A F - 0 0 4 348,-2.4 -16,-2.8 -2,-0.1 2,-0.4 -0.115 54.3-174.1 -41.6 130.6 15.4 32.6 -15.4 25 32 A F B -B 7 0A 7 342,-0.3 -18,-0.3 -18,-0.3 2,-0.2 -0.995 30.2-103.2-129.4 143.2 18.7 31.2 -14.0 26 33 A S - 0 0 18 -20,-2.9 371,-0.2 -2,-0.4 370,-0.1 -0.385 25.5-172.3 -70.1 133.3 20.1 32.1 -10.7 27 34 A L > + 0 0 5 369,-2.9 3,-2.4 -2,-0.2 372,-0.2 0.091 28.0 153.8-108.3 22.3 23.1 34.5 -10.7 28 35 A E T 3 S+ 0 0 56 1,-0.3 370,-0.2 368,-0.2 6,-0.1 -0.250 75.8 3.2 -49.4 135.0 23.8 34.2 -6.9 29 36 A D T > S+ 0 0 91 4,-0.7 2,-0.9 368,-0.4 3,-0.7 0.439 91.4 137.5 61.8 4.8 27.6 34.9 -6.4 30 37 A E T < S- 0 0 70 -3,-2.4 -1,-0.2 1,-0.3 3,-0.1 -0.702 96.2 -28.0 -82.2 107.1 28.2 35.8 -10.1 31 38 A L T 3 S+ 0 0 85 -2,-0.9 2,-0.3 1,-0.2 -1,-0.3 0.904 133.2 90.4 53.6 42.7 30.4 38.9 -9.8 32 39 A S S < S- 0 0 29 -3,-0.7 -1,-0.2 368,-0.1 3,-0.1 -0.991 78.4-106.0-161.4 154.5 28.6 39.4 -6.5 33 40 A V - 0 0 55 -2,-0.3 -4,-0.7 366,-0.3 366,-0.6 -0.304 63.9 -61.3 -77.9 176.2 28.7 38.8 -2.8 34 41 A S - 0 0 44 1,-0.1 -1,-0.2 -6,-0.1 364,-0.0 -0.277 34.7-147.0 -57.8 139.8 26.3 36.4 -1.1 35 42 A S + 0 0 6 362,-0.1 -1,-0.1 -3,-0.1 362,-0.0 0.415 60.1 123.3 -85.9 1.0 22.6 37.1 -1.4 36 43 A K S S- 0 0 151 1,-0.1 3,-0.0 3,-0.0 80,-0.0 -0.208 79.3 -95.9 -61.7 149.5 22.0 35.6 2.1 37 44 A L - 0 0 88 79,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.573 52.4-115.7 -62.7 121.8 20.3 37.8 4.7 38 45 A P > - 0 0 20 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.271 39.0 -80.8 -64.0 153.4 23.4 39.2 6.6 39 46 A K T 3 S+ 0 0 201 1,-0.2 345,-0.1 344,-0.1 3,-0.1 -0.188 114.0 10.6 -51.2 136.8 23.9 38.2 10.3 40 47 A D T 3 S+ 0 0 99 1,-0.2 344,-2.6 343,-0.1 2,-0.3 0.743 100.6 124.9 64.2 27.0 21.8 40.2 12.8 41 48 A b E < -D 383 0C 16 -3,-1.3 2,-0.4 342,-0.2 342,-0.2 -0.870 42.8-161.5-113.6 153.1 19.7 41.8 10.1 42 49 A R E -D 382 0C 154 340,-1.8 340,-2.9 -2,-0.3 2,-0.3 -0.998 22.1-124.8-134.1 127.8 15.9 41.8 9.7 43 50 A I E +D 381 0C 18 -2,-0.4 338,-0.3 338,-0.2 3,-0.1 -0.572 28.8 175.3 -70.6 131.3 14.1 42.5 6.5 44 51 A T E + 0 0 29 336,-3.0 2,-0.3 1,-0.4 337,-0.2 0.603 66.2 9.6-112.3 -18.6 11.6 45.3 7.0 45 52 A L E -D 380 0C 2 335,-1.5 335,-2.6 2,-0.0 -1,-0.4 -0.959 58.3-170.1-156.6 143.6 10.3 45.8 3.5 46 53 A V E -De 379 324C 0 277,-1.9 279,-2.5 -2,-0.3 2,-0.5 -0.975 3.9-166.4-138.3 124.6 10.6 43.9 0.2 47 54 A Q E -De 378 325C 0 331,-2.6 331,-3.0 -2,-0.4 2,-0.4 -0.951 11.6-160.4 -97.9 127.7 9.5 45.1 -3.2 48 55 A V E -De 377 326C 0 277,-2.7 279,-2.5 -2,-0.5 2,-0.5 -0.934 7.1-170.1-105.2 134.5 9.4 42.3 -5.9 49 56 A L E +De 376 327C 0 327,-2.6 327,-2.5 -2,-0.4 2,-0.4 -0.980 18.5 179.9-121.8 111.0 9.5 43.3 -9.6 50 57 A S E -De 375 328C 0 277,-2.9 279,-2.7 -2,-0.5 325,-0.2 -0.936 22.5-142.0-118.1 137.5 8.7 40.2 -11.7 51 58 A R E - e 0 329C 0 323,-2.7 279,-0.2 -2,-0.4 321,-0.0 -0.461 39.6 -94.0 -77.2 163.5 8.5 39.6 -15.4 52 59 A H - 0 0 2 277,-0.9 321,-2.8 -2,-0.1 322,-0.4 -0.260 50.4-100.6 -65.7 165.4 5.9 37.2 -16.8 53 60 A G - 0 0 0 82,-0.4 49,-0.2 319,-0.2 -1,-0.1 -0.198 58.7 -47.0 -83.1-177.5 7.0 33.6 -17.3 54 61 A A S S+ 0 0 0 47,-0.1 45,-2.1 318,-0.1 2,-0.3 -0.166 70.7 177.0 -50.1 136.9 8.0 31.7 -20.5 55 62 A R B -K 98 0D 16 43,-0.3 43,-0.3 -3,-0.1 42,-0.1 -0.838 33.6 -93.3-136.3 169.1 5.5 32.4 -23.2 56 63 A Y - 0 0 54 41,-2.6 40,-0.2 -2,-0.3 39,-0.1 -0.401 63.3 -79.6 -69.4 164.4 4.6 31.7 -26.8 57 64 A P - 0 0 0 0, 0.0 39,-2.5 0, 0.0 -1,-0.2 -0.288 58.6 -90.5 -58.2 153.3 5.8 34.3 -29.4 58 65 A T > - 0 0 40 37,-0.3 4,-3.0 38,-0.1 5,-0.3 -0.307 47.9-100.5 -60.1 158.5 3.6 37.4 -29.6 59 66 A S H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.871 124.1 49.7 -59.2 -36.6 0.9 36.9 -32.2 60 67 A S H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 114.9 43.7 -67.0 -44.3 2.8 38.9 -34.8 61 68 A K H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.867 111.1 53.9 -62.4 -38.9 6.1 37.0 -34.2 62 69 A S H X S+ 0 0 11 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.911 109.5 49.4 -68.8 -36.1 4.3 33.6 -34.1 63 70 A K H X S+ 0 0 150 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.915 111.1 49.6 -63.6 -44.0 2.8 34.5 -37.5 64 71 A K H X S+ 0 0 76 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.884 113.1 46.5 -59.8 -43.8 6.3 35.4 -38.8 65 72 A Y H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.916 111.1 50.0 -68.7 -46.0 7.9 32.2 -37.6 66 73 A K H X S+ 0 0 110 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.899 110.3 52.1 -57.6 -42.9 5.1 29.9 -38.9 67 74 A K H X S+ 0 0 159 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.894 111.2 47.9 -59.7 -41.0 5.5 31.7 -42.3 68 75 A L H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.945 113.2 45.3 -67.1 -47.9 9.2 31.0 -42.2 69 76 A V H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.903 114.5 50.2 -63.5 -39.5 8.9 27.3 -41.3 70 77 A T H X S+ 0 0 75 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.930 111.5 47.8 -62.1 -46.3 6.2 26.9 -43.9 71 78 A A H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 3,-0.5 0.921 111.0 50.2 -60.6 -49.2 8.3 28.5 -46.6 72 79 A I H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.877 112.0 48.5 -57.1 -39.7 11.3 26.4 -45.7 73 80 A Q H < S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.708 115.2 45.3 -75.9 -22.3 9.2 23.2 -45.9 74 81 A A H < S+ 0 0 77 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.854 121.1 35.4 -81.9 -40.3 7.8 24.3 -49.2 75 82 A N H < S+ 0 0 89 -4,-2.7 2,-0.3 -5,-0.1 -2,-0.2 0.704 88.4 99.1 -93.2 -26.6 11.0 25.4 -50.9 76 83 A A < - 0 0 14 -4,-2.0 142,-0.2 -5,-0.3 3,-0.1 -0.493 45.2-169.2 -73.5 127.1 13.8 23.0 -49.6 77 84 A T S S+ 0 0 119 140,-2.9 2,-0.3 -2,-0.3 -1,-0.2 0.547 81.9 15.5 -89.6 -8.9 14.7 20.1 -52.0 78 85 A D - 0 0 90 139,-0.7 2,-0.5 2,-0.0 -1,-0.2 -0.957 61.8-148.1-156.2 151.3 16.6 18.6 -49.2 79 86 A F - 0 0 30 -2,-0.3 2,-0.2 137,-0.1 137,-0.2 -0.912 37.1-164.1-120.9 95.3 16.9 19.0 -45.4 80 87 A K > - 0 0 100 135,-3.3 3,-2.3 -2,-0.5 4,-0.1 -0.533 35.8 -33.1 -99.6 148.6 20.4 18.2 -44.8 81 88 A G G > S+ 0 0 46 1,-0.3 3,-1.8 -2,-0.2 4,-0.2 -0.179 129.7 2.6 55.2-127.9 22.4 17.3 -41.7 82 89 A K G 3 S+ 0 0 124 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.643 129.5 63.2 -66.2 -13.0 21.2 19.1 -38.5 83 90 A F G X S+ 0 0 4 -3,-2.3 3,-2.1 1,-0.2 4,-0.3 0.454 70.9 101.6 -90.5 -1.7 18.4 20.7 -40.5 84 91 A A G X + 0 0 40 -3,-1.8 3,-2.0 1,-0.3 4,-0.3 0.800 69.9 65.3 -55.0 -34.1 16.8 17.3 -41.3 85 92 A F G >> S+ 0 0 41 -3,-0.5 4,-1.1 1,-0.3 3,-0.8 0.739 84.1 75.9 -63.0 -23.3 14.1 17.7 -38.6 86 93 A L G <4 S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.683 80.8 73.9 -64.0 -16.1 12.7 20.7 -40.6 87 94 A K G <4 S+ 0 0 134 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.960 115.8 13.9 -50.7 -58.3 11.3 18.0 -42.9 88 95 A T T <4 S+ 0 0 111 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.263 88.7 136.6-111.4 5.6 8.5 17.0 -40.5 89 96 A Y < - 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