==== 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 16-SEP-03 1QZ9 . COMPND 2 MOLECULE: KYNURENINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR C.MOMANY,V.LEVDIKOV,L.BLAGOVA,S.LIMA,R.S.PHILLIPS . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 3 0 0 0 0 2 2 1 0 0 2 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 4 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A T 0 0 69 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 141.1 2.3 26.7 17.5 2 3 A T > - 0 0 59 1,-0.1 4,-1.4 0, 0.0 3,-0.2 -0.775 360.0-107.2-118.4 167.9 -1.1 28.3 17.2 3 4 A R H > S+ 0 0 92 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.899 121.7 55.9 -57.1 -43.6 -3.1 31.0 19.0 4 5 A N H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.834 102.6 55.1 -59.4 -33.0 -5.3 28.2 20.5 5 6 A D H > S+ 0 0 84 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 109.1 48.8 -64.7 -39.2 -2.1 26.5 21.9 6 7 A C H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 379,-0.4 0.868 107.2 53.5 -68.7 -37.3 -1.3 29.8 23.6 7 8 A L H X S+ 0 0 76 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.887 110.1 49.2 -64.1 -37.6 -4.9 30.1 25.0 8 9 A A H X S+ 0 0 38 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.878 106.1 55.4 -68.3 -39.7 -4.4 26.6 26.5 9 10 A L H < S+ 0 0 64 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.906 108.9 48.6 -59.5 -40.7 -1.0 27.6 28.0 10 11 A D H >< S+ 0 0 32 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.851 108.1 53.7 -66.5 -37.9 -2.7 30.5 29.8 11 12 A A H 3< S+ 0 0 89 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.0 44.0 -64.3 -32.0 -5.5 28.1 31.0 12 13 A Q T 3< S+ 0 0 144 -4,-1.8 2,-0.7 -5,-0.1 -1,-0.2 0.428 86.3 116.3 -90.9 -2.2 -2.8 25.8 32.5 13 14 A D X - 0 0 23 -3,-0.8 3,-1.4 -4,-0.3 -3,-0.0 -0.586 46.1-168.6 -80.5 109.8 -0.8 28.7 34.0 14 15 A S T 3 S+ 0 0 102 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.676 87.9 58.8 -71.8 -17.3 -0.7 28.4 37.8 15 16 A L T >> S+ 0 0 12 1,-0.2 3,-1.6 2,-0.1 4,-0.5 0.457 75.5 102.2 -85.4 -6.3 0.7 32.0 38.0 16 17 A A G X4 S+ 0 0 25 -3,-1.4 3,-1.4 1,-0.3 4,-0.5 0.850 71.2 60.9 -49.2 -45.4 -2.3 33.5 36.1 17 18 A P G >4 S+ 0 0 82 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.780 92.9 66.5 -56.7 -26.9 -3.9 34.9 39.3 18 19 A L G X4 S+ 0 0 14 -3,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.755 85.7 70.2 -69.0 -24.4 -0.9 37.1 40.0 19 20 A R G X< S+ 0 0 79 -3,-1.4 3,-1.6 -4,-0.5 -1,-0.2 0.848 88.7 64.3 -56.7 -35.1 -1.6 39.2 36.9 20 21 A Q G < S+ 0 0 120 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.570 87.9 69.9 -67.0 -12.8 -4.7 40.6 38.7 21 22 A Q G < S+ 0 0 65 -3,-1.6 20,-2.6 -4,-0.2 21,-0.4 0.366 92.7 71.9 -86.4 4.2 -2.4 42.2 41.3 22 23 A F B < S-A 40 0A 11 -3,-1.6 2,-0.9 18,-0.3 16,-0.0 -0.929 76.8-136.8-120.3 144.2 -1.2 44.7 38.6 23 24 A A - 0 0 40 16,-2.6 16,-0.4 -2,-0.4 -3,-0.1 -0.844 32.8-179.1-100.5 94.7 -3.1 47.6 37.1 24 25 A L - 0 0 62 -2,-0.9 2,-0.2 -5,-0.1 3,-0.1 -0.751 30.0-110.2 -97.8 143.0 -2.3 47.3 33.4 25 26 A P > - 0 0 83 0, 0.0 3,-1.3 0, 0.0 -1,-0.0 -0.477 41.0-102.6 -72.4 140.5 -3.5 49.8 30.7 26 27 A E T 3 S+ 0 0 188 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 -0.291 100.0 16.1 -63.4 141.3 -6.1 48.4 28.3 27 28 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.358 95.8 118.8 83.8 -4.3 -4.9 47.5 24.8 28 29 A V < - 0 0 47 -3,-1.3 2,-0.7 335,-0.1 -1,-0.2 -0.755 49.6-159.5-100.4 136.2 -1.2 47.5 25.7 29 30 A I E -b 363 0B 21 333,-2.8 335,-1.9 -2,-0.4 2,-0.8 -0.934 24.0-154.4-108.1 102.5 1.0 44.5 25.3 30 31 A Y E +b 364 0B 44 -2,-0.7 3,-0.3 333,-0.2 348,-0.3 -0.704 31.3 160.1 -93.2 108.2 3.8 45.6 27.7 31 32 A L + 0 0 1 333,-1.9 345,-2.9 -2,-0.8 335,-0.2 -0.205 60.0 79.1-117.2 36.6 7.2 44.0 26.9 32 33 A D >> + 0 0 20 343,-0.2 4,-2.4 4,-0.2 3,-2.0 0.083 45.6 118.1-131.2 25.4 9.3 46.6 28.7 33 34 A G T 34 S+ 0 0 0 343,-0.4 196,-0.3 1,-0.3 4,-0.2 0.509 70.6 68.6 -70.4 -7.0 9.0 45.5 32.4 34 35 A N T 34 S+ 0 0 0 2,-0.2 -1,-0.3 192,-0.1 193,-0.2 0.438 111.0 32.2 -80.1 -6.2 12.8 44.9 32.3 35 36 A S T <4 S+ 0 0 42 -3,-2.0 2,-0.3 191,-0.2 -2,-0.2 0.671 141.3 6.3-120.3 -44.0 13.2 48.7 32.0 36 37 A L S < S- 0 0 70 -4,-2.4 190,-0.3 196,-0.1 -2,-0.2 -0.813 80.4-135.4-140.9 110.0 10.2 49.9 34.0 37 38 A G - 0 0 8 188,-2.6 194,-0.2 -2,-0.3 190,-0.1 -0.235 28.2-104.9 -57.9 141.8 8.1 47.4 35.8 38 39 A A - 0 0 12 1,-0.1 193,-0.1 -8,-0.1 -1,-0.1 -0.171 45.7 -88.0 -64.2 162.1 4.3 47.6 35.6 39 40 A R - 0 0 104 -16,-0.4 -16,-2.6 191,-0.1 -1,-0.1 -0.616 27.9-134.9 -86.6 120.0 2.4 49.0 38.6 40 41 A P B > -A 22 0A 6 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.450 24.5-123.9 -60.4 139.2 1.1 46.8 41.5 41 42 A V T > S+ 0 0 74 -20,-2.6 3,-1.0 1,-0.3 4,-0.5 0.891 108.7 58.5 -51.4 -41.4 -2.5 47.7 42.3 42 43 A A T 3> S+ 0 0 57 -21,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.634 82.8 81.7 -69.7 -16.0 -1.5 48.3 45.9 43 44 A A H <> S+ 0 0 8 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.845 88.3 54.7 -60.2 -36.7 1.1 51.0 45.1 44 45 A L H <> S+ 0 0 95 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.2 0.961 111.7 41.0 -63.0 -51.7 -1.6 53.8 44.8 45 46 A A H > S+ 0 0 61 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.890 113.3 55.3 -67.0 -39.0 -3.2 53.2 48.2 46 47 A R H X S+ 0 0 96 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 111.1 44.0 -56.8 -47.8 0.2 52.7 49.9 47 48 A A H X S+ 0 0 13 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.904 109.3 57.2 -65.2 -39.2 1.5 56.1 48.5 48 49 A Q H X S+ 0 0 110 -4,-2.4 4,-2.7 1,-0.2 5,-0.5 0.894 108.9 47.2 -60.3 -36.6 -1.8 57.8 49.5 49 50 A A H X>S+ 0 0 42 -4,-2.1 5,-2.3 2,-0.2 4,-1.6 0.906 110.7 50.6 -71.7 -43.1 -1.2 56.6 53.1 50 51 A V H <>S+ 0 0 1 -4,-2.1 5,-2.9 3,-0.2 6,-0.3 0.925 120.3 36.5 -57.0 -43.8 2.4 57.8 53.1 51 52 A I H <>S+ 0 0 76 -4,-2.7 5,-2.4 3,-0.2 -2,-0.2 0.969 125.7 32.7 -77.0 -55.8 1.3 61.2 51.9 52 53 A A H <5S+ 0 0 63 -4,-2.7 5,-0.3 -5,-0.2 -3,-0.2 0.838 134.5 20.1 -75.4 -36.8 -2.0 61.9 53.6 53 54 A E T X>S+ 0 0 112 -4,-1.6 5,-2.6 -5,-0.5 4,-1.0 0.895 127.1 37.6-101.8 -56.3 -1.4 60.1 56.9 54 55 A E I 4XS+ 0 0 35 -5,-2.3 5,-0.7 3,-0.2 8,-0.4 0.957 133.2 21.9 -69.1 -53.7 2.3 59.6 57.6 55 56 A W I >4< S+ 0 0 129 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.718 128.3 72.6 -59.7 -23.7 8.2 64.4 61.9 61 62 A R G X> S+ 0 0 159 -3,-1.6 4,-2.3 1,-0.3 3,-2.1 0.804 79.5 75.8 -60.3 -28.7 6.7 61.9 64.4 62 63 A S H <> S+ 0 0 2 -3,-1.9 4,-1.8 -8,-0.4 6,-1.3 0.634 70.2 81.2 -63.4 -18.7 6.4 59.3 61.6 63 64 A W H <4 S+ 0 0 50 -3,-1.4 6,-1.6 -4,-0.2 -1,-0.3 0.850 118.0 15.7 -52.6 -33.3 10.1 58.6 61.7 64 65 A N H X4 S+ 0 0 107 -3,-2.1 3,-0.9 -4,-0.2 -2,-0.3 0.805 129.3 50.5 -97.5 -51.6 8.9 56.5 64.7 65 66 A S H 3< S+ 0 0 91 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.503 118.9 36.1 -79.0 -5.4 5.1 56.1 64.3 66 67 A A T 3< S- 0 0 31 -4,-1.8 -1,-0.3 -5,-0.2 -3,-0.1 0.308 108.8-112.8-122.6 4.8 5.2 55.0 60.6 67 68 A G S X S+ 0 0 20 -3,-0.9 3,-1.1 -5,-0.3 4,-0.3 0.616 70.1 138.1 81.2 10.7 8.3 52.9 60.6 68 69 A W G > + 0 0 31 -6,-1.3 3,-1.1 1,-0.2 4,-0.4 0.821 59.7 69.1 -61.7 -31.4 10.4 55.1 58.3 69 70 A R G 3 S+ 0 0 113 -6,-1.6 -1,-0.2 -7,-0.3 4,-0.1 0.776 112.3 27.0 -62.3 -28.4 13.5 54.8 60.4 70 71 A D G <> S+ 0 0 52 -3,-1.1 4,-2.5 -7,-0.2 -1,-0.2 0.174 86.4 110.9-118.4 19.9 14.1 51.1 59.5 71 72 A L H <> S+ 0 0 10 -3,-1.1 4,-2.7 -4,-0.3 5,-0.3 0.901 76.0 54.0 -63.2 -44.8 12.4 51.0 56.0 72 73 A S H > S+ 0 0 11 -4,-0.4 20,-1.7 1,-0.2 4,-1.6 0.880 114.3 42.7 -55.5 -39.1 15.6 50.5 54.0 73 74 A E H > S+ 0 0 39 -3,-0.2 4,-2.4 2,-0.2 15,-0.2 0.893 113.1 49.8 -78.5 -41.4 16.5 47.5 56.2 74 75 A R H X S+ 0 0 85 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.921 113.8 46.8 -63.2 -43.0 13.0 45.9 56.3 75 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.906 110.9 52.4 -63.3 -41.5 12.8 46.2 52.5 76 77 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.908 106.7 53.5 -58.2 -42.5 16.3 44.7 52.1 77 78 A N H X S+ 0 0 46 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.863 110.6 46.5 -61.5 -38.2 15.3 41.8 54.3 78 79 A R H >< S+ 0 0 99 -4,-1.7 3,-1.1 1,-0.2 4,-0.2 0.933 113.0 48.4 -66.4 -48.3 12.3 41.1 52.0 79 80 A L H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.3 4,-0.4 0.830 97.9 71.1 -62.8 -35.3 14.4 41.4 48.8 80 81 A A H ><>S+ 0 0 2 -4,-2.3 5,-2.2 1,-0.3 3,-1.3 0.786 85.5 67.5 -51.5 -34.5 17.0 39.1 50.3 81 82 A T T <<5S+ 0 0 107 -3,-1.1 -1,-0.3 -4,-0.5 3,-0.2 0.706 100.2 50.1 -60.7 -21.1 14.6 36.2 49.9 82 83 A L T < 5S+ 0 0 15 -3,-2.3 128,-0.6 -4,-0.2 124,-0.4 0.511 114.7 39.7 -96.5 -6.8 14.9 36.5 46.1 83 84 A I T < 5S- 0 0 0 -3,-1.3 129,-2.5 -4,-0.4 130,-0.2 0.144 113.0 -98.0-133.5 18.4 18.8 36.6 45.9 84 85 A G T 5S+ 0 0 23 -4,-0.4 129,-1.1 127,-0.3 2,-0.2 0.839 79.6 133.6 66.6 35.0 20.1 34.0 48.4 85 86 A A < - 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