==== 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 4BVQ . 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) . 25789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 69.6 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 . 56 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 25.5 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,-0.5 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 61.4 -14.7 -19.8 26.4 2 1 A M + 0 0 99 101,-0.1 101,-2.5 248,-0.0 2,-0.3 -0.969 360.0 173.4-127.8 110.7 -14.4 -17.1 29.0 3 2 A Y E -A 102 0A 31 -2,-0.5 250,-2.3 99,-0.3 251,-0.5 -0.748 40.3-144.0-127.2 160.3 -15.5 -13.7 27.8 4 3 A H E -A 101 0A 6 97,-3.1 97,-2.4 -2,-0.3 2,-0.5 -0.993 30.9-160.4-115.3 118.2 -16.2 -10.0 28.4 5 4 A I E -A 100 0A 0 -2,-0.5 250,-0.4 109,-0.4 2,-0.4 -0.873 7.5-167.9-103.5 129.4 -19.2 -8.9 26.3 6 5 A D E -A 99 0A 30 93,-2.4 93,-2.8 -2,-0.5 2,-0.4 -0.923 4.3-166.2-109.9 142.0 -19.9 -5.3 25.4 7 6 A V E -A 98 0A 3 -2,-0.4 2,-0.4 91,-0.2 91,-0.2 -0.995 4.4-174.6-132.4 127.1 -23.3 -4.2 23.9 8 7 A F E -A 97 0A 23 89,-2.4 89,-2.9 -2,-0.4 2,-0.6 -0.982 14.3-155.1-126.5 126.9 -24.0 -0.9 22.3 9 8 A R E -A 96 0A 68 -2,-0.4 87,-0.2 87,-0.2 -2,-0.0 -0.900 23.2-177.6 -97.3 120.2 -27.3 0.5 21.0 10 9 A I E -A 95 0A 14 85,-3.1 85,-2.6 -2,-0.6 11,-0.1 -0.976 22.8-123.7-126.2 129.1 -26.6 3.1 18.3 11 10 A P E -A 94 0A 77 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.305 18.9-151.1 -64.4 148.9 -29.1 5.2 16.4 12 11 A C - 0 0 8 81,-2.0 662,-0.1 29,-0.1 6,-0.1 -0.989 12.6-162.7-120.3 132.0 -29.1 5.3 12.6 13 12 A H S S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 81,-0.0 0.593 83.4 -7.6 -85.0 -11.4 -30.2 8.3 10.6 14 13 A S S > S- 0 0 37 3,-0.1 3,-1.6 1,-0.0 -1,-0.2 -0.943 85.4 -88.2-171.6 167.4 -30.6 6.0 7.5 15 14 A P T 3 S+ 0 0 22 0, 0.0 44,-0.1 0, 0.0 -1,-0.0 0.834 124.2 46.6 -60.0 -34.6 -29.7 2.4 6.5 16 15 A G T 3 S+ 0 0 14 43,-0.1 2,-0.5 42,-0.1 36,-0.0 0.378 82.4 125.5 -86.2 2.8 -26.2 3.2 5.3 17 16 A D < + 0 0 15 -3,-1.6 4,-0.1 1,-0.2 -3,-0.1 -0.518 19.3 158.3 -73.2 115.5 -25.3 5.3 8.3 18 17 A T > + 0 0 25 -2,-0.5 4,-2.6 2,-0.1 5,-0.2 0.221 44.1 106.2-114.8 11.1 -22.1 4.1 10.1 19 18 A S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 79.4 51.6 -60.8 -38.9 -21.4 7.4 11.9 20 19 A G H > S+ 0 0 17 -9,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.899 110.5 47.4 -64.4 -43.6 -22.5 6.0 15.2 21 20 A L H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.918 110.5 52.5 -63.6 -44.4 -20.2 2.9 14.8 22 21 A E H X S+ 0 0 34 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.908 106.7 54.1 -56.0 -44.5 -17.3 5.1 13.8 23 22 A D H X S+ 0 0 87 -4,-2.2 4,-2.2 1,-0.2 6,-0.3 0.877 106.7 50.6 -57.4 -43.0 -17.9 7.2 17.0 24 23 A L H <>S+ 0 0 2 -4,-1.7 5,-1.7 2,-0.2 6,-1.4 0.885 115.8 43.0 -62.5 -40.3 -17.6 4.1 19.2 25 24 A I H ><5S+ 0 0 21 -4,-2.0 3,-1.3 4,-0.2 -2,-0.2 0.924 114.1 49.4 -69.7 -47.7 -14.4 3.2 17.5 26 25 A E H 3<5S+ 0 0 130 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.833 111.3 49.2 -65.1 -34.3 -12.9 6.7 17.5 27 26 A T T 3<5S- 0 0 81 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.330 114.0-117.3 -87.2 5.8 -13.7 7.2 21.2 28 27 A G T < 5S+ 0 0 64 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.611 79.1 125.1 72.4 14.5 -12.1 3.8 22.1 29 28 A R S > - 0 0 43 -2,-0.3 3,-1.9 1,-0.1 4,-0.6 -0.896 21.5-133.9 -97.0 128.9 -12.1 -2.2 19.0 32 31 A P G >4 S+ 0 0 21 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.833 104.6 57.2 -48.4 -40.5 -13.1 -3.2 15.5 33 32 A A G 34 S+ 0 0 46 1,-0.2 31,-0.0 34,-0.1 35,-0.0 0.671 101.4 57.5 -68.7 -18.4 -11.5 -6.6 15.8 34 33 A D G <4 S+ 0 0 48 -3,-1.9 66,-3.0 65,-0.1 2,-0.3 0.599 76.9 110.9 -87.3 -13.9 -13.6 -7.5 18.9 35 34 A I E << +B 99 0A 3 -3,-1.1 64,-0.3 -4,-0.6 3,-0.1 -0.477 33.2 166.0 -68.3 125.4 -17.0 -7.0 17.1 36 35 A V E + 0 0 9 62,-2.5 44,-2.5 1,-0.3 2,-0.3 0.597 59.5 12.6-113.6 -21.6 -18.7 -10.4 16.8 37 36 A A E -Bc 98 80A 0 61,-1.6 61,-3.2 42,-0.2 2,-0.4 -0.990 48.7-163.2-157.1 147.9 -22.3 -9.5 15.9 38 37 A V E -Bc 97 81A 1 42,-2.5 44,-2.9 -2,-0.3 2,-0.6 -0.978 6.3-168.5-133.4 123.6 -24.5 -6.7 14.8 39 38 A M E -Bc 96 82A 0 57,-2.5 57,-2.5 -2,-0.4 2,-0.3 -0.962 21.0-175.9-108.2 117.5 -28.3 -6.8 15.1 40 39 A G E -Bc 95 83A 0 42,-2.6 44,-3.1 -2,-0.6 2,-0.5 -0.815 29.7-149.4-118.1 152.2 -30.0 -4.0 13.2 41 40 A K E -Bc 94 84A 2 53,-2.9 53,-1.2 -2,-0.3 2,-0.3 -0.991 27.4-170.6-112.2 117.9 -33.4 -2.5 12.5 42 41 A T E - c 0 85A 2 42,-1.7 44,-1.6 -2,-0.5 11,-0.1 -0.829 27.9-122.1-115.5 151.1 -33.5 -0.9 9.1 43 42 A E S S+ 0 0 53 -2,-0.3 44,-0.1 42,-0.2 42,-0.1 0.145 73.4 107.1 -90.8 21.2 -36.3 1.2 7.6 44 43 A G S S- 0 0 13 42,-0.1 42,-0.8 1,-0.1 43,-0.5 -0.130 93.1 -84.8 -74.2-173.1 -37.2 -0.7 4.5 45 44 A N - 0 0 28 4,-0.2 3,-0.1 41,-0.2 5,-0.1 0.556 47.7-131.2 -78.2 -6.6 -40.4 -2.7 4.4 46 45 A G S S+ 0 0 6 1,-0.2 188,-0.1 2,-0.1 39,-0.1 0.546 76.9 91.4 70.9 9.4 -39.0 -5.8 6.2 47 46 A C S > S- 0 0 5 188,-0.0 3,-0.6 2,-0.0 189,-0.3 0.167 97.7 -52.1-112.7-137.7 -40.5 -8.0 3.5 48 47 A V T 3 S+ 0 0 23 1,-0.2 2,-1.4 -3,-0.1 188,-0.3 0.986 127.9 43.1 -74.9 -58.6 -39.2 -9.4 0.2 49 48 A N T 3 S+ 0 0 110 186,-0.1 2,-0.6 2,-0.0 -4,-0.2 -0.363 78.6 126.8 -87.8 53.7 -38.0 -6.3 -1.7 50 49 A D < + 0 0 3 -2,-1.4 186,-0.4 -3,-0.6 4,-0.3 -0.945 22.9 166.1-109.5 106.0 -36.2 -4.7 1.3 51 50 A Y > + 0 0 130 -2,-0.6 4,-2.2 1,-0.2 5,-0.1 0.341 59.5 88.6 -98.4 3.6 -32.7 -3.9 0.2 52 51 A T H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.813 85.9 56.9 -66.5 -29.0 -32.1 -1.7 3.3 53 52 A R H > S+ 0 0 1 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.952 110.4 40.7 -66.2 -51.7 -31.0 -4.8 5.1 54 53 A E H > S+ 0 0 93 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.879 114.9 53.3 -62.8 -40.9 -28.2 -5.7 2.5 55 54 A Y H X S+ 0 0 120 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.930 108.6 48.6 -62.7 -47.1 -27.2 -2.0 2.3 56 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.924 113.3 47.9 -57.6 -46.8 -26.8 -1.7 6.0 57 56 A T H X S+ 0 0 11 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.920 110.7 52.0 -60.1 -45.8 -24.7 -4.8 6.1 58 57 A A H X S+ 0 0 36 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.904 112.7 44.2 -58.4 -44.9 -22.6 -3.6 3.1 59 58 A M H X S+ 0 0 62 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.875 115.0 47.7 -72.8 -37.8 -21.8 -0.3 4.8 60 59 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.933 114.3 47.4 -63.8 -47.3 -21.0 -1.9 8.2 61 60 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.867 112.9 48.7 -62.6 -39.3 -18.8 -4.5 6.6 62 61 A A H X S+ 0 0 21 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.908 111.3 51.0 -65.5 -43.5 -17.1 -1.8 4.5 63 62 A C H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.3 0.955 116.8 38.1 -57.5 -54.4 -16.6 0.3 7.6 64 63 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.819 110.6 62.2 -68.0 -32.4 -15.0 -2.5 9.7 65 64 A G H X>S+ 0 0 4 -4,-2.1 5,-2.4 -5,-0.3 4,-0.8 0.856 101.8 51.6 -60.8 -38.5 -13.2 -3.8 6.5 66 65 A R H <5S+ 0 0 159 -4,-1.8 3,-0.4 -3,-0.3 -1,-0.2 0.932 113.0 44.0 -62.3 -48.2 -11.2 -0.5 6.4 67 66 A H H <5S+ 0 0 78 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.833 122.8 37.2 -66.8 -34.7 -10.2 -0.7 10.1 68 67 A L H <5S- 0 0 41 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.426 105.8-124.0 -96.3 -1.8 -9.3 -4.4 9.8 69 68 A Q T <5 + 0 0 179 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.951 68.5 129.8 49.9 53.6 -7.8 -4.2 6.3 70 69 A L < - 0 0 61 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.958 66.3-105.1-128.3 150.1 -10.2 -6.9 5.0 71 70 A P >> - 0 0 60 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.539 37.6-114.9 -67.9 144.5 -12.6 -7.0 2.1 72 71 A P H 3> S+ 0 0 56 0, 0.0 4,-1.7 0, 0.0 -8,-0.0 0.842 115.3 57.8 -48.0 -42.6 -16.3 -6.5 3.2 73 72 A H H 34 S+ 0 0 107 1,-0.2 4,-0.3 2,-0.2 -11,-0.0 0.751 106.0 50.2 -63.8 -25.8 -17.2 -10.1 2.1 74 73 A E H X> S+ 0 0 65 -3,-1.7 3,-1.0 2,-0.2 4,-1.0 0.855 105.2 56.5 -76.4 -38.3 -14.6 -11.4 4.5 75 74 A V H 3X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 3,-0.5 0.865 101.1 58.8 -59.7 -36.7 -15.9 -9.3 7.4 76 75 A E H 3< S+ 0 0 82 -4,-1.7 5,-0.3 1,-0.2 -1,-0.2 0.684 104.3 50.0 -68.2 -21.5 -19.3 -11.0 6.9 77 76 A K H <4 S+ 0 0 129 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.675 116.4 43.1 -84.4 -21.5 -17.7 -14.4 7.5 78 77 A R H < S+ 0 0 113 -4,-1.0 2,-0.4 -3,-0.5 -2,-0.2 0.790 116.1 46.3 -90.3 -37.3 -16.1 -13.0 10.7 79 78 A V S < S- 0 0 1 -4,-2.7 2,-0.9 -5,-0.1 -42,-0.2 -0.918 80.1-127.3-115.5 135.2 -19.1 -11.0 12.1 80 79 A A E -c 37 0A 0 -44,-2.5 -42,-2.5 -2,-0.4 2,-0.6 -0.725 28.4-166.7 -82.1 104.6 -22.7 -12.2 12.4 81 80 A F E +c 38 0A 16 -2,-0.9 2,-0.5 -5,-0.3 -42,-0.2 -0.847 11.2 176.3 -95.1 122.2 -24.8 -9.5 10.6 82 81 A V E -c 39 0A 0 -44,-2.9 -42,-2.6 -2,-0.6 2,-0.6 -0.905 4.2-177.1-127.0 101.2 -28.5 -9.8 11.3 83 82 A M E -c 40 0A 1 -2,-0.5 2,-0.6 -44,-0.2 -42,-0.2 -0.897 6.2-166.2-104.2 116.1 -30.5 -6.9 9.7 84 83 A S E -c 41 0A 2 -44,-3.1 -42,-1.7 -2,-0.6 259,-0.1 -0.910 13.2-150.0-103.5 113.5 -34.2 -7.0 10.4 85 84 A G E +c 42 0A 1 -2,-0.6 -42,-0.2 -44,-0.2 -40,-0.1 -0.334 54.2 69.9 -78.9 163.7 -36.1 -4.6 8.1 86 85 A G - 0 0 0 -44,-1.6 257,-0.2 -42,-0.8 -41,-0.2 0.720 38.0-177.5 94.4 105.2 -39.3 -2.8 9.0 87 86 A T + 0 0 3 -43,-0.5 589,-0.4 -44,-0.1 -1,-0.1 -0.580 24.5 168.0-129.0 67.2 -39.5 0.0 11.5 88 87 A E > - 0 0 2 234,-0.1 3,-1.9 -2,-0.1 2,-0.2 -0.356 50.1 -1.7 -82.4 160.5 -43.2 0.8 11.5 89 88 A G T 3 S- 0 0 0 1,-0.3 587,-0.5 -2,-0.1 588,-0.4 -0.429 136.7 -15.1 63.3-124.0 -45.0 3.1 14.0 90 89 A V T 3 S+ 0 0 3 236,-0.3 249,-0.3 -2,-0.2 -1,-0.3 0.405 96.0 132.9 -92.4 2.4 -42.6 4.4 16.6 91 90 A L < - 0 0 1 -3,-1.9 585,-0.4 249,-0.1 249,-0.2 -0.343 45.8-150.4 -60.0 128.9 -39.8 1.9 15.8 92 91 A S - 0 0 1 247,-2.0 583,-0.1 249,-0.2 -51,-0.1 -0.912 16.7-115.9-110.4 120.7 -36.6 3.8 15.5 93 92 A P + 0 0 2 0, 0.0 -81,-2.0 0, 0.0 2,-0.3 -0.260 54.7 133.4 -60.5 139.4 -33.8 2.5 13.2 94 93 A H E -AB 11 41A 0 -53,-1.2 -53,-2.9 -83,-0.3 2,-0.4 -0.973 45.9-117.3-169.8 167.6 -30.6 1.5 15.0 95 94 A H E -AB 10 40A 3 -85,-2.6 -85,-3.1 -2,-0.3 2,-0.6 -0.935 10.8-150.0-117.7 146.9 -27.9 -1.1 15.3 96 95 A T E -AB 9 39A 0 -57,-2.5 -57,-2.5 -2,-0.4 2,-0.5 -0.983 20.7-158.0-111.2 114.4 -27.0 -3.2 18.4 97 96 A V E -AB 8 38A 0 -89,-2.9 -89,-2.4 -2,-0.6 2,-0.5 -0.824 3.2-160.2 -97.2 128.8 -23.3 -3.9 18.2 98 97 A F E -AB 7 37A 0 -61,-3.2 -62,-2.5 -2,-0.5 -61,-1.6 -0.945 8.5-173.8-111.9 125.3 -21.9 -6.9 20.2 99 98 A A E -AB 6 35A 1 -93,-2.8 -93,-2.4 -2,-0.5 2,-0.4 -0.929 6.2-158.7-120.2 143.5 -18.2 -7.0 21.0 100 99 A R E +A 5 0A 49 -66,-3.0 -95,-0.2 -2,-0.4 15,-0.0 -0.985 15.6 165.6-127.4 127.7 -16.4 -10.0 22.6 101 100 A R E -A 4 0A 94 -97,-2.4 -97,-3.1 -2,-0.4 3,-0.1 -0.877 48.0 -78.9-127.7 163.6 -13.0 -9.9 24.5 102 101 A P E -A 3 0A 106 0, 0.0 -99,-0.3 0, 0.0 3,-0.1 -0.358 67.8 -82.3 -58.5 145.1 -11.3 -12.4 26.8 103 102 A A - 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