==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-OCT-04 1WS2 . COMPND 2 MOLECULE: URICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FLAVUS; . AUTHOR P.RETAILLEAU,N.COLLOC'H,D.VIVARES,F.BONNETE,B.CASTRO,M.EL . 1182 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 936 79.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 424 35.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 129 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 0 5 1 2 0 0 0 0 0 2 3 7 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 6 9 3 0 4 1 7 12 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 0 0 2 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 1 A X 0 0 102 0, 0.0 2,-0.3 0, 0.0 589,-0.3 0.000 360.0 360.0 360.0 132.3 87.4 -18.9 44.8 2 2 A A E -A 589 0A 36 587,-1.8 587,-2.0 530,-0.0 2,-1.2 -0.795 360.0-102.6-116.4 164.2 89.3 -20.7 42.0 3 3 A V E -A 588 0A 18 -2,-0.3 585,-0.3 585,-0.2 3,-0.1 -0.725 32.7-177.5 -79.9 95.8 90.0 -19.8 38.4 4 4 A K E S- 0 0 133 -2,-1.2 2,-0.3 583,-0.7 584,-0.2 0.851 70.3 -4.2 -54.8 -40.6 87.6 -21.9 36.3 5 5 A A E +A 587 0A 39 582,-1.6 582,-3.1 2,-0.0 2,-0.3 -0.979 64.0 175.7-156.0 151.7 89.0 -20.6 32.9 6 6 A A E +A 586 0A 9 -2,-0.3 34,-0.3 580,-0.3 2,-0.3 -0.946 5.7 160.2-158.5 134.5 91.6 -18.2 31.7 7 7 A R E +A 585 0A 77 578,-0.9 578,-2.4 -2,-0.3 2,-0.3 -0.972 6.4 177.2-150.2 160.5 93.1 -17.0 28.4 8 8 A Y E +AB 584 38A 2 30,-1.6 30,-3.6 -2,-0.3 2,-0.3 -0.979 17.6 123.9-155.6 158.4 95.0 -14.0 27.2 9 9 A G E -AB 583 37A 0 574,-2.3 574,-2.7 -2,-0.3 2,-0.6 -0.933 56.3 -54.1 172.9-156.1 96.7 -12.9 23.9 10 10 A K E -AB 582 36A 4 26,-1.7 26,-1.6 -2,-0.3 3,-0.3 -0.941 41.4-164.9-125.1 114.5 96.8 -10.2 21.3 11 11 A D E +A 581 0A 44 570,-2.7 570,-1.8 -2,-0.6 24,-0.2 -0.586 64.0 20.3 -90.6 163.3 93.7 -9.0 19.3 12 12 A N E + 0 0 59 568,-0.2 2,-0.8 1,-0.2 -1,-0.2 0.848 65.1 166.8 53.3 52.1 93.6 -7.0 16.1 13 13 A V E - B 0 34A 0 21,-2.3 21,-2.3 -3,-0.3 2,-0.3 -0.868 24.4-150.8 -97.0 113.4 97.0 -7.5 14.8 14 14 A R E - B 0 33A 49 -2,-0.8 2,-0.4 19,-0.2 19,-0.2 -0.685 17.7-177.5 -89.9 144.6 96.9 -6.3 11.3 15 15 A V E - B 0 32A 1 17,-2.1 17,-2.3 -2,-0.3 2,-0.4 -0.992 11.2-171.6-146.9 126.5 99.3 -8.0 8.9 16 16 A Y E -CB 870 31A 0 854,-2.9 854,-2.9 -2,-0.4 2,-0.4 -0.940 6.7-179.9-120.5 146.0 100.1 -7.5 5.3 17 17 A K E -CB 869 30A 25 13,-2.8 13,-2.0 -2,-0.4 2,-0.3 -0.990 9.0-159.0-147.1 138.6 102.2 -9.7 3.1 18 18 A V E - B 0 29A 4 850,-2.0 2,-0.5 -2,-0.4 11,-0.2 -0.872 5.5-152.5-120.3 144.2 103.2 -9.5 -0.5 19 19 A H E - B 0 28A 88 9,-3.3 9,-1.8 -2,-0.3 2,-0.6 -0.972 9.5-158.9-119.0 125.0 104.4 -12.1 -2.9 20 20 A K E - B 0 27A 69 -2,-0.5 2,-1.4 7,-0.2 7,-0.2 -0.903 9.3-157.6-108.6 110.0 106.7 -11.1 -5.8 21 21 A D > - 0 0 56 5,-2.0 4,-3.0 -2,-0.6 5,-0.1 -0.628 10.9-171.9 -80.4 83.8 107.0 -13.5 -8.8 22 22 A E T 4 S+ 0 0 201 -2,-1.4 -1,-0.2 2,-0.2 5,-0.0 0.761 84.5 56.1 -55.5 -26.2 110.5 -12.2 -10.0 23 23 A K T 4 S+ 0 0 200 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.982 120.5 22.1 -56.5 -89.1 109.9 -14.4 -13.1 24 24 A T T 4 S- 0 0 106 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.650 96.3-126.6 -48.2 -26.4 106.3 -12.9 -14.4 25 25 A G < + 0 0 43 -4,-3.0 -1,-0.1 1,-0.3 -4,-0.1 -0.159 65.8 139.9 88.6 -37.5 106.7 -9.4 -12.6 26 26 A V - 0 0 49 -6,-0.1 -5,-2.0 -5,-0.1 -1,-0.3 -0.084 36.4-162.9 -41.4 114.4 103.2 -10.3 -11.1 27 27 A Q E -B 20 0A 15 90,-2.6 2,-0.3 -7,-0.2 -7,-0.2 -0.688 3.6-166.9-100.8 154.0 102.7 -9.3 -7.4 28 28 A T E -B 19 0A 36 -9,-1.8 -9,-3.3 -2,-0.2 2,-0.3 -0.976 8.4-154.2-142.1 136.7 100.0 -10.7 -5.1 29 29 A V E -B 18 0A 10 -2,-0.3 2,-0.4 77,-0.2 -11,-0.2 -0.834 10.5-169.3-118.3 156.5 98.9 -9.4 -1.7 30 30 A Y E +B 17 0A 74 -13,-2.0 -13,-2.8 -2,-0.3 2,-0.4 -1.000 5.0 179.3-141.1 136.3 97.3 -10.6 1.4 31 31 A E E +BD 16 104A 5 73,-0.5 73,-2.3 -2,-0.4 2,-0.3 -0.995 11.6 159.7-139.4 132.1 96.1 -8.7 4.3 32 32 A M E -BD 15 103A 7 -17,-2.3 -17,-2.1 -2,-0.4 2,-0.4 -0.945 35.1-128.7-146.1 165.2 94.4 -10.1 7.4 33 33 A T E -BD 14 102A 24 69,-2.4 69,-2.3 -2,-0.3 2,-0.3 -0.991 32.9-159.4-119.0 136.5 93.7 -9.2 11.0 34 34 A V E -BD 13 101A 1 -21,-2.3 -21,-2.3 -2,-0.4 2,-0.4 -0.875 15.5-169.8-126.1 144.0 94.8 -11.8 13.5 35 35 A C E - D 0 100A 17 65,-2.6 65,-3.1 -2,-0.3 2,-0.4 -0.997 4.9-174.4-133.4 132.6 93.9 -12.7 17.1 36 36 A V E -BD 10 99A 0 -26,-1.6 -26,-1.7 -2,-0.4 2,-0.5 -0.983 1.6-178.1-131.0 118.4 95.8 -15.2 19.3 37 37 A L E -BD 9 98A 16 61,-2.2 61,-2.4 -2,-0.4 2,-0.3 -0.973 14.2-150.9-115.9 127.4 94.7 -16.2 22.7 38 38 A L E -BD 8 97A 0 -30,-3.6 -30,-1.6 -2,-0.5 2,-0.3 -0.809 9.8-170.1 -98.1 143.8 96.8 -18.6 24.8 39 39 A E E + D 0 96A 54 57,-2.8 56,-1.9 -2,-0.3 57,-1.5 -0.940 31.1 100.3-119.2 155.3 95.6 -21.2 27.5 40 40 A G E S- D 0 94A 20 -34,-0.3 2,-2.4 -2,-0.3 3,-0.4 -0.994 79.4 -24.1 162.5-163.7 97.8 -23.2 29.9 41 41 A E S S+ 0 0 107 52,-2.8 52,-0.1 -2,-0.3 3,-0.0 -0.559 84.7 123.5 -80.9 83.8 99.2 -23.6 33.4 42 42 A I >> + 0 0 2 -2,-2.4 3,-1.0 -36,-0.1 4,-0.6 0.386 20.8 115.1-125.6 -2.1 98.8 -19.8 34.1 43 43 A E H >> S+ 0 0 88 -3,-0.4 4,-2.0 1,-0.2 3,-1.1 0.755 71.6 65.5 -22.9 -47.0 96.6 -19.6 37.3 44 44 A T H 3> S+ 0 0 42 1,-0.3 4,-3.4 2,-0.2 6,-1.1 0.884 89.8 61.0 -74.2 -37.6 99.4 -18.1 39.2 45 45 A S H <4 S+ 0 0 1 -3,-1.0 480,-0.5 4,-0.3 -1,-0.3 0.787 115.5 37.3 -43.1 -34.8 99.6 -14.8 37.2 46 46 A Y H << S+ 0 0 3 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.791 124.0 38.4 -89.2 -33.9 96.0 -14.3 38.4 47 47 A T H < S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.842 132.6 16.5 -88.8 -33.4 96.3 -15.7 41.9 48 48 A K S < S- 0 0 159 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.291 100.1-107.8-140.5 38.1 99.7 -14.5 43.1 49 49 A A + 0 0 48 -4,-0.3 2,-0.9 1,-0.2 -4,-0.3 0.680 63.9 158.1 46.5 29.0 100.8 -11.7 40.7 50 50 A D > + 0 0 54 -6,-1.1 3,-0.6 1,-0.1 -1,-0.2 -0.701 21.1 174.0 -97.4 108.4 103.3 -14.0 39.1 51 51 A N G > + 0 0 9 -2,-0.9 3,-2.3 405,-0.2 408,-0.7 0.449 58.1 93.0 -87.9 2.9 104.3 -13.0 35.6 52 52 A S G 3 S+ 0 0 67 1,-0.3 -1,-0.2 406,-0.2 408,-0.1 0.715 88.7 53.1 -74.0 -20.1 107.1 -15.6 35.0 53 53 A V G < S+ 0 0 26 -3,-0.6 2,-0.6 -11,-0.1 -1,-0.3 0.167 91.9 99.1 -83.7 6.1 104.4 -17.8 33.5 54 54 A I < - 0 0 1 -3,-2.3 405,-2.0 403,-0.2 2,-0.7 -0.908 58.4-158.4-109.6 117.6 103.3 -14.9 31.1 55 55 A V B -c 459 0B 2 -2,-0.6 5,-0.1 403,-0.2 405,-0.1 -0.862 42.8-110.6 -84.2 112.7 104.5 -14.9 27.6 56 56 A A >> - 0 0 1 -2,-0.7 4,-1.9 403,-0.5 3,-0.9 -0.175 12.1-129.4 -57.8 144.3 104.0 -11.1 26.9 57 57 A T H 3> S+ 0 0 20 1,-0.3 4,-2.7 2,-0.2 3,-0.3 0.950 111.2 61.4 -60.6 -44.2 101.2 -10.2 24.4 58 58 A D H 3> S+ 0 0 24 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.834 103.0 48.6 -40.8 -43.2 103.8 -8.1 22.6 59 59 A S H <> S+ 0 0 2 -3,-0.9 4,-2.9 2,-0.2 -1,-0.3 0.865 105.4 56.7 -78.2 -30.1 105.8 -11.2 22.0 60 60 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.3 -2,-0.2 0.951 108.7 49.9 -55.1 -42.5 102.7 -12.9 20.7 61 61 A K H X S+ 0 0 33 -4,-2.7 4,-2.0 2,-0.2 3,-0.3 0.945 109.0 49.6 -63.1 -50.3 102.6 -10.0 18.3 62 62 A N H X S+ 0 0 12 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.910 107.8 55.6 -50.6 -46.0 106.2 -10.4 17.3 63 63 A T H X S+ 0 0 1 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.856 102.5 54.8 -56.4 -41.1 105.6 -14.1 16.7 64 64 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 -3,-0.3 5,-0.2 0.972 112.4 44.4 -57.9 -48.9 102.7 -13.3 14.3 65 65 A Y H X S+ 0 0 16 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.945 114.9 48.4 -61.9 -45.9 105.1 -11.2 12.2 66 66 A I H X S+ 0 0 3 -4,-3.3 4,-1.5 1,-0.2 3,-0.3 0.937 112.4 46.3 -62.3 -44.7 107.8 -13.7 12.4 67 67 A T H X S+ 0 0 8 -4,-3.3 4,-0.8 1,-0.2 3,-0.4 0.909 110.3 54.1 -63.1 -39.6 105.7 -16.7 11.5 68 68 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.802 105.8 54.9 -66.3 -27.7 104.2 -14.7 8.6 69 69 A K H < S+ 0 0 23 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.877 116.0 36.6 -66.1 -38.2 107.7 -14.0 7.3 70 70 A Q H < S+ 0 0 103 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.330 115.1 45.9-103.8 4.9 108.6 -17.7 7.2 71 71 A N S < S- 0 0 40 -4,-0.8 2,-0.1 -3,-0.2 8,-0.0 -0.914 89.9 -86.7-140.3 166.4 105.6 -19.4 6.1 72 72 A P - 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.493 26.8-159.3 -63.1 149.4 102.8 -19.2 3.6 73 73 A V + 0 0 3 -2,-0.1 6,-0.1 -4,-0.1 7,-0.1 0.401 58.7 111.5-102.1 -4.0 100.0 -17.0 4.9 74 74 A T + 0 0 50 2,-0.1 -44,-0.0 4,-0.1 -1,-0.0 -0.933 63.1 29.6-121.6 142.0 97.7 -18.7 2.4 75 75 A P S > S- 0 0 6 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.756 79.8-143.6 -69.5 155.8 95.3 -20.6 2.9 76 76 A P H > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.842 98.0 64.0 -67.4 -27.4 94.5 -19.0 6.2 77 77 A E H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.947 106.5 46.3 -50.8 -47.4 93.5 -22.5 7.6 78 78 A L H > S+ 0 0 8 -3,-0.4 4,-3.2 1,-0.2 3,-0.4 0.980 112.4 46.9 -56.6 -60.0 97.1 -23.5 7.0 79 79 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.832 110.6 52.5 -61.1 -31.4 98.6 -20.4 8.5 80 80 A G H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.903 111.2 47.2 -70.5 -40.5 96.4 -20.6 11.6 81 81 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.4 5,-0.3 0.953 113.2 47.8 -60.0 -56.1 97.4 -24.2 12.2 82 82 A I H X S+ 0 0 13 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.929 115.9 47.4 -49.8 -43.9 101.1 -23.4 11.7 83 83 A L H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.933 113.4 42.6 -70.1 -48.9 100.6 -20.4 14.1 84 84 A G H X S+ 0 0 0 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.844 112.7 57.4 -62.9 -31.8 98.7 -22.1 16.9 85 85 A T H X S+ 0 0 10 -4,-2.3 4,-2.2 -5,-0.3 5,-0.4 0.969 98.0 58.2 -69.1 -50.2 101.0 -25.1 16.7 86 86 A H H X S+ 0 0 39 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.921 106.1 52.8 -38.9 -48.8 104.1 -23.0 17.3 87 87 A F H X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 7,-0.2 0.931 112.4 38.3 -64.6 -46.7 102.6 -21.9 20.6 88 88 A I H < S+ 0 0 25 -4,-1.4 -1,-0.2 2,-0.2 6,-0.2 0.766 119.3 51.2 -76.7 -20.5 101.8 -25.2 22.2 89 89 A E H < S+ 0 0 150 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.893 113.8 40.7 -79.6 -47.1 105.1 -26.7 20.8 90 90 A K H < S+ 0 0 85 -4,-2.7 2,-0.5 -5,-0.4 -2,-0.2 0.821 110.7 59.1 -80.5 -23.5 107.4 -24.1 22.0 91 91 A Y >< - 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