==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-13 4BVT . COMPND 2 MOLECULE: CYANURIC ACID AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. ADP; . AUTHOR T.S.PEAT,S.BALOTRA,M.WILDING,N.G.FRENCH,L.J.BRIGGS,S.PANJIKA . 728 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 14.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 52 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 0 0 2 2 2 2 0 0 0 0 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 2 0 0 2 4 0 4 2 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 . 2 0 6 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 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 0 A H 0 0 119 0, 0.0 2,-0.4 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 51.6 -10.6 22.3 25.8 2 1 A M + 0 0 69 101,-0.0 101,-3.6 248,-0.0 2,-0.3 -0.992 360.0 177.8-130.6 121.9 -8.2 20.9 28.4 3 2 A Y E -A 102 0A 32 -2,-0.4 250,-2.3 99,-0.3 2,-0.5 -0.876 36.4-147.1-133.7 153.5 -4.7 20.2 27.4 4 3 A H E -A 101 0A 5 97,-3.1 97,-2.3 -2,-0.3 2,-0.4 -0.986 31.5-158.7-113.8 117.8 -1.2 19.0 28.2 5 4 A I E -A 100 0A 0 -2,-0.5 250,-0.6 109,-0.4 2,-0.4 -0.823 10.7-169.6-104.2 133.9 1.4 20.9 26.2 6 5 A D E -A 99 0A 25 93,-2.3 93,-2.7 -2,-0.4 2,-0.4 -0.960 5.8-165.5-116.1 138.8 4.9 19.8 25.4 7 6 A V E -A 98 0A 4 -2,-0.4 2,-0.5 91,-0.2 91,-0.2 -0.994 3.5-171.8-129.6 129.8 7.4 22.1 23.8 8 7 A F E -A 97 0A 30 89,-2.4 89,-3.1 -2,-0.4 2,-0.7 -0.975 14.3-155.2-126.4 121.4 10.8 21.1 22.2 9 8 A R E -A 96 0A 69 -2,-0.5 87,-0.2 87,-0.2 -2,-0.0 -0.867 25.3-178.7 -89.3 115.9 13.5 23.3 21.0 10 9 A I E -A 95 0A 14 85,-2.9 85,-2.6 -2,-0.7 2,-0.1 -0.960 21.9-123.1-122.2 133.4 15.4 21.3 18.4 11 10 A P E -A 94 0A 67 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.406 15.5-149.3 -74.6 149.2 18.5 22.4 16.4 12 11 A C - 0 0 4 81,-1.7 662,-0.1 1,-0.1 6,-0.1 -0.968 12.6-166.2-114.0 131.0 18.7 22.4 12.6 13 12 A H S S- 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 81,-0.0 0.725 86.1 -7.6 -81.0 -23.6 22.0 21.8 10.8 14 13 A S S > S- 0 0 46 -3,-0.1 3,-1.2 3,-0.1 -1,-0.3 -0.942 84.2 -90.6-160.3 170.9 20.2 23.2 7.8 15 14 A P T 3 S+ 0 0 18 0, 0.0 44,-0.1 0, 0.0 -1,-0.0 0.844 125.1 45.8 -60.2 -37.7 16.7 24.3 6.7 16 15 A G T 3 S+ 0 0 13 43,-0.1 2,-0.4 42,-0.1 36,-0.0 0.546 84.2 119.5 -79.7 -9.4 15.8 20.8 5.4 17 16 A D < + 0 0 27 -3,-1.2 3,-0.1 1,-0.1 4,-0.1 -0.458 24.4 161.8 -68.9 116.8 17.2 19.0 8.5 18 17 A T >> + 0 0 24 -2,-0.4 4,-2.8 1,-0.1 3,-0.9 0.296 44.6 105.0-111.1 4.8 14.5 17.0 10.3 19 18 A S H 3> S+ 0 0 60 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.796 74.7 60.4 -63.0 -31.4 16.8 14.7 12.3 20 19 A G H 3> S+ 0 0 17 -9,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.900 113.6 38.1 -57.4 -41.2 16.1 16.6 15.5 21 20 A L H <> S+ 0 0 3 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.893 110.1 57.0 -78.8 -45.1 12.4 15.7 15.1 22 21 A E H X S+ 0 0 34 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.865 109.7 51.1 -53.1 -37.3 12.9 12.1 13.8 23 22 A D H X S+ 0 0 83 -4,-1.9 4,-3.1 -5,-0.2 6,-0.3 0.974 105.0 52.3 -63.2 -58.5 14.8 11.6 17.0 24 23 A L H <>S+ 0 0 5 -4,-1.6 5,-1.7 1,-0.2 6,-1.2 0.852 116.4 42.8 -46.1 -41.5 12.1 13.0 19.3 25 24 A I H ><5S+ 0 0 20 -4,-2.2 3,-2.4 4,-0.2 -2,-0.2 0.981 114.4 47.4 -69.1 -59.1 9.7 10.6 17.6 26 25 A E H 3<5S+ 0 0 146 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.800 111.3 51.7 -58.1 -32.8 11.9 7.5 17.5 27 26 A T T 3<5S- 0 0 73 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.201 114.9-118.1 -88.5 14.9 12.9 8.0 21.2 28 27 A G T < 5S+ 0 0 66 -3,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.570 77.8 125.4 66.8 14.3 9.2 8.2 22.1 29 28 A R S > - 0 0 39 -2,-0.3 3,-1.6 1,-0.1 4,-0.9 -0.877 15.6-139.4 -98.7 122.9 3.7 11.5 19.2 32 31 A P T 34 S+ 0 0 21 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.806 105.2 55.2 -45.0 -39.1 3.5 12.7 15.6 33 32 A A T 34 S+ 0 0 49 1,-0.2 67,-0.1 34,-0.1 35,-0.0 0.838 103.1 55.2 -65.0 -34.3 -0.3 12.8 16.0 34 33 A D T <4 S+ 0 0 44 -3,-1.6 66,-3.1 65,-0.1 2,-0.2 0.693 79.7 109.0 -74.4 -20.6 -0.1 15.2 19.0 35 34 A I E < +B 99 0A 3 -4,-0.9 64,-0.3 -3,-0.5 3,-0.1 -0.439 34.1 164.5 -67.5 125.6 2.0 17.8 17.2 36 35 A V E + 0 0 12 62,-2.3 44,-2.2 1,-0.3 2,-0.3 0.566 58.4 13.6-117.9 -19.9 -0.1 20.9 16.6 37 36 A A E -Bc 98 80A 0 61,-1.5 61,-2.9 42,-0.2 2,-0.4 -0.992 50.0-161.7-159.0 150.4 2.4 23.6 15.7 38 37 A V E -Bc 97 81A 3 42,-2.8 44,-3.2 -2,-0.3 2,-0.6 -0.984 4.2-165.8-137.8 129.5 6.0 24.3 14.7 39 38 A M E -Bc 96 82A 0 57,-2.6 57,-1.5 -2,-0.4 2,-0.3 -0.928 20.8-172.8-116.9 108.1 7.8 27.6 14.9 40 39 A G E -Bc 95 83A 0 42,-2.7 44,-2.9 -2,-0.6 2,-0.5 -0.661 27.3-153.4-105.2 151.6 11.1 27.6 13.0 41 40 A K E -Bc 94 84A 2 53,-3.1 53,-1.2 -2,-0.3 2,-0.3 -0.984 27.2-171.3-112.7 113.6 14.0 29.9 12.5 42 41 A T E - c 0 85A 2 42,-2.0 44,-0.7 -2,-0.5 11,-0.1 -0.766 28.2-121.8-108.4 156.6 15.5 29.2 9.0 43 42 A E S S+ 0 0 50 -2,-0.3 42,-0.1 42,-0.2 2,-0.0 0.076 74.2 106.2 -95.8 26.6 18.8 30.5 7.6 44 43 A G S S- 0 0 13 6,-0.1 42,-0.9 1,-0.0 43,-0.6 -0.114 93.5 -87.3 -75.8-168.6 17.6 32.3 4.5 45 44 A N - 0 0 29 4,-0.2 3,-0.1 41,-0.2 5,-0.1 0.522 46.3-130.4 -83.5 -7.1 17.5 36.1 4.5 46 45 A G S S+ 0 0 7 1,-0.2 188,-0.1 2,-0.1 299,-0.1 0.674 76.1 99.8 65.8 18.5 14.0 36.2 6.1 47 46 A C S > S- 0 0 5 188,-0.0 3,-0.6 274,-0.0 189,-0.3 0.089 94.3 -56.9-111.9-141.8 13.0 38.6 3.3 48 47 A V T 3 S+ 0 0 23 1,-0.2 2,-1.6 187,-0.1 188,-0.3 0.991 127.7 45.9 -72.7 -60.3 11.0 38.2 0.0 49 48 A N T 3 S+ 0 0 102 186,-0.1 2,-0.7 2,-0.0 -1,-0.2 -0.324 77.7 131.2 -83.6 53.0 13.1 35.6 -1.8 50 49 A D < + 0 0 2 -2,-1.6 4,-0.4 -3,-0.6 186,-0.3 -0.906 20.0 164.7-107.7 105.4 13.5 33.2 1.2 51 50 A Y > + 0 0 127 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.421 61.2 86.0 -98.2 0.6 12.7 29.7 0.2 52 51 A T H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.833 88.1 54.4 -65.7 -31.2 14.3 28.2 3.3 53 52 A R H > S+ 0 0 1 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.961 111.6 41.8 -67.1 -52.0 11.0 28.8 5.1 54 53 A E H > S+ 0 0 93 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.938 115.3 51.9 -56.9 -51.0 8.9 26.9 2.5 55 54 A Y H X S+ 0 0 115 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.883 106.8 52.1 -55.3 -48.4 11.6 24.1 2.3 56 55 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.941 112.2 46.5 -55.6 -49.2 11.7 23.6 6.0 57 56 A T H X S+ 0 0 14 -4,-2.0 4,-3.6 1,-0.2 5,-0.3 0.907 108.0 56.7 -59.1 -43.9 8.0 23.1 6.1 58 57 A A H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 112.0 41.3 -56.1 -44.7 8.0 20.8 3.1 59 58 A M H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.860 116.3 48.0 -75.7 -38.8 10.4 18.4 4.8 60 59 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 -5,-0.2 5,-0.4 0.965 113.9 47.6 -62.6 -52.5 8.7 18.6 8.2 61 60 A A H X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.945 113.7 47.5 -52.0 -52.9 5.4 18.1 6.6 62 61 A A H X S+ 0 0 26 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.816 111.4 52.0 -61.4 -32.6 6.7 15.1 4.6 63 62 A C H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.973 115.5 38.7 -67.8 -56.1 8.4 13.7 7.7 64 63 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.794 111.1 64.5 -60.8 -28.7 5.1 13.8 9.7 65 64 A G H X>S+ 0 0 5 -4,-2.4 5,-2.1 -5,-0.4 4,-0.5 0.906 101.4 47.6 -60.8 -45.2 3.4 12.7 6.5 66 65 A R H ><5S+ 0 0 150 -4,-1.8 3,-1.0 -3,-0.3 -2,-0.2 0.973 115.0 45.5 -56.6 -55.9 5.3 9.4 6.5 67 66 A H H 3<5S+ 0 0 73 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.826 121.4 36.1 -61.4 -39.8 4.4 8.8 10.2 68 67 A L H 3<5S- 0 0 40 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.387 106.1-125.4 -92.6 3.0 0.7 9.7 10.0 69 68 A Q T <<5 + 0 0 178 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.954 67.2 128.6 43.4 58.3 0.4 8.3 6.5 70 69 A L < - 0 0 69 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.927 67.6 -97.3-126.9 157.9 -0.9 11.5 5.1 71 70 A P >> - 0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.471 35.8-120.1 -63.7 148.7 0.1 13.7 2.1 72 71 A P H 3> S+ 0 0 50 0, 0.0 4,-1.7 0, 0.0 -8,-0.0 0.939 115.6 55.7 -57.5 -46.1 2.4 16.5 3.1 73 72 A H H 34 S+ 0 0 116 1,-0.2 4,-0.5 2,-0.2 -11,-0.0 0.759 108.0 51.6 -57.6 -25.5 -0.1 19.1 1.9 74 73 A E H X> S+ 0 0 77 -3,-0.7 4,-1.4 2,-0.2 3,-1.3 0.917 104.2 54.6 -75.0 -45.0 -2.6 17.4 4.2 75 74 A V H 3X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.3 -2,-0.2 0.832 101.2 61.1 -56.6 -35.1 -0.3 17.7 7.3 76 75 A E H 3< S+ 0 0 79 -4,-1.7 5,-0.3 1,-0.2 -1,-0.3 0.746 102.5 49.9 -68.4 -26.3 -0.0 21.4 6.7 77 76 A K H <4 S+ 0 0 139 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.816 116.2 44.0 -73.3 -34.7 -3.8 21.9 7.2 78 77 A R H < S+ 0 0 111 -4,-1.4 2,-0.4 1,-0.1 -2,-0.2 0.896 116.0 46.0 -77.6 -44.5 -3.5 19.9 10.4 79 78 A V S < S- 0 0 0 -4,-3.1 2,-1.1 -5,-0.1 -42,-0.2 -0.828 79.2-126.8-109.0 139.7 -0.4 21.5 11.8 80 79 A A E -c 37 0A 0 -44,-2.2 -42,-2.8 -2,-0.4 2,-0.6 -0.727 27.7-168.6 -86.4 97.6 0.5 25.2 12.1 81 80 A F E +c 38 0A 20 -2,-1.1 2,-0.5 -5,-0.3 -42,-0.2 -0.789 8.4 177.6 -86.8 120.4 3.9 25.6 10.4 82 81 A V E -c 39 0A 0 -44,-3.2 -42,-2.7 -2,-0.6 2,-0.7 -0.913 2.8-177.5-125.8 104.2 5.4 29.1 11.1 83 82 A M E -c 40 0A 1 -2,-0.5 2,-0.6 -44,-0.2 -42,-0.2 -0.899 6.2-168.5-107.3 113.1 8.9 29.5 9.6 84 83 A S E -c 41 0A 2 -44,-2.9 -42,-2.0 -2,-0.7 259,-0.1 -0.905 14.4-153.3 -98.5 118.9 10.6 32.8 10.2 85 84 A G E +c 42 0A 1 -2,-0.6 -42,-0.2 -44,-0.2 -40,-0.1 -0.225 53.1 74.2 -81.4 176.3 13.7 33.2 8.1 86 85 A G - 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