==== 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 4BVR . 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) . 25783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 69.1 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 . 87 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 24.7 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 4 0 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 0 111 0, 0.0 2,-0.9 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 50.7 -13.8 20.1 -25.9 2 1 A M + 0 0 68 101,-0.1 101,-5.8 250,-0.1 2,-0.2 -0.797 360.0 162.9-112.8 91.7 -13.4 17.2 -28.4 3 2 A Y E -A 102 0A 34 -2,-0.9 250,-1.9 99,-0.3 2,-0.4 -0.640 37.4-142.3-108.2 164.5 -14.8 14.0 -26.9 4 3 A H E -A 101 0A 6 97,-3.1 97,-2.3 -2,-0.2 2,-0.5 -0.996 26.8-152.9-118.0 121.6 -15.9 10.6 -28.0 5 4 A I E -A 100 0A 0 -2,-0.4 250,-0.4 109,-0.4 2,-0.4 -0.846 11.0-170.8-103.1 127.7 -18.9 9.4 -26.0 6 5 A D E -A 99 0A 25 93,-2.3 93,-2.8 -2,-0.5 2,-0.4 -0.893 5.6-164.6-108.4 143.8 -19.8 5.8 -25.3 7 6 A V E -A 98 0A 12 -2,-0.4 2,-0.5 91,-0.2 91,-0.2 -0.998 4.5-172.8-132.7 129.0 -23.1 4.8 -23.7 8 7 A F E -A 97 0A 27 89,-2.5 89,-3.1 -2,-0.4 2,-0.7 -0.973 14.4-155.5-130.4 118.7 -23.8 1.4 -22.2 9 8 A R E -A 96 0A 82 -2,-0.5 87,-0.2 87,-0.2 -2,-0.0 -0.826 24.8-175.5 -86.5 120.1 -27.2 0.1 -21.0 10 9 A I E -A 95 0A 15 85,-3.1 85,-2.4 -2,-0.7 11,-0.1 -0.969 20.9-122.3-127.3 129.7 -26.4 -2.6 -18.4 11 10 A P E -A 94 0A 64 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.257 19.5-153.7 -63.9 151.9 -28.8 -4.9 -16.5 12 11 A C - 0 0 7 81,-1.6 662,-0.1 1,-0.1 6,-0.1 -0.991 15.3-165.7-125.6 138.8 -29.0 -5.0 -12.7 13 12 A H S S- 0 0 132 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.578 83.9 -6.4 -92.8 -14.4 -30.1 -8.0 -10.7 14 13 A S S > S- 0 0 49 3,-0.1 3,-1.6 1,-0.1 -1,-0.3 -0.948 84.6 -89.7-170.4 165.5 -30.4 -5.9 -7.6 15 14 A P T 3 S+ 0 0 24 0, 0.0 44,-0.1 0, 0.0 -1,-0.1 0.869 125.2 45.5 -59.3 -37.8 -29.6 -2.3 -6.6 16 15 A G T 3 S+ 0 0 13 43,-0.1 2,-0.5 -3,-0.1 36,-0.0 0.439 82.5 124.7 -83.7 -0.1 -26.1 -3.2 -5.4 17 16 A D < + 0 0 27 -3,-1.6 3,-0.1 1,-0.2 -3,-0.1 -0.495 21.1 160.8 -68.6 114.4 -25.3 -5.3 -8.5 18 17 A T > + 0 0 27 -2,-0.5 4,-2.4 1,-0.1 3,-0.4 0.235 43.7 107.2-108.5 9.7 -22.1 -4.0 -10.2 19 18 A S H > S+ 0 0 63 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.766 76.8 51.2 -68.6 -30.2 -21.5 -7.2 -12.1 20 19 A G H > S+ 0 0 12 -9,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.827 111.5 48.3 -71.2 -34.9 -22.4 -5.8 -15.5 21 20 A L H > S+ 0 0 4 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.908 109.5 51.9 -72.0 -42.4 -20.1 -2.8 -14.9 22 21 A E H X S+ 0 0 33 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.811 106.9 56.4 -60.5 -31.5 -17.3 -5.2 -13.9 23 22 A D H X S+ 0 0 88 -4,-1.2 4,-2.1 -5,-0.2 6,-0.3 0.947 106.1 47.7 -65.2 -49.2 -17.9 -7.1 -17.1 24 23 A L H <>S+ 0 0 7 -4,-1.7 5,-1.4 1,-0.2 6,-1.2 0.873 114.9 46.9 -59.4 -39.6 -17.5 -4.0 -19.4 25 24 A I H ><5S+ 0 0 21 -4,-1.8 3,-1.4 4,-0.2 -1,-0.2 0.950 114.3 45.5 -68.1 -48.2 -14.3 -3.1 -17.6 26 25 A E H 3<5S+ 0 0 145 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.693 112.5 51.1 -73.5 -20.7 -12.8 -6.6 -17.7 27 26 A T T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.250 112.7-121.2 -93.2 8.2 -13.8 -7.1 -21.4 28 27 A G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.519 77.4 124.6 69.8 7.1 -12.0 -3.7 -22.2 29 28 A R S > - 0 0 44 -2,-0.3 3,-2.0 1,-0.1 4,-0.6 -0.870 18.9-135.0-100.3 127.4 -12.0 2.4 -19.1 32 31 A P G >4 S+ 0 0 20 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.813 103.7 57.5 -48.2 -39.1 -12.9 3.3 -15.5 33 32 A A G 34 S+ 0 0 46 1,-0.2 67,-0.1 34,-0.1 31,-0.0 0.740 102.5 55.9 -66.8 -22.0 -11.2 6.7 -15.8 34 33 A D G <4 S+ 0 0 42 -3,-2.0 66,-3.3 65,-0.1 2,-0.4 0.645 78.1 107.5 -86.8 -14.9 -13.4 7.7 -18.8 35 34 A I E << +B 99 0A 3 -3,-0.9 64,-0.3 -4,-0.6 3,-0.1 -0.520 34.8 165.4 -71.4 123.0 -16.8 7.2 -17.0 36 35 A V E + 0 0 10 62,-2.4 44,-2.2 -2,-0.4 2,-0.3 0.539 58.9 15.4-114.3 -16.6 -18.3 10.6 -16.3 37 36 A A E -Bc 98 80A 0 61,-1.6 61,-3.1 42,-0.2 2,-0.4 -0.973 47.8-163.8-159.9 143.8 -21.9 9.7 -15.5 38 37 A V E -Bc 97 81A 1 42,-2.5 44,-3.1 -2,-0.3 2,-0.6 -0.981 6.7-169.7-128.2 120.4 -24.3 6.9 -14.5 39 38 A M E -Bc 96 82A 0 57,-2.4 57,-2.5 -2,-0.4 2,-0.2 -0.953 23.6-176.0-104.5 114.9 -28.1 7.3 -14.8 40 39 A G E -Bc 95 83A 0 42,-2.4 44,-2.9 -2,-0.6 2,-0.5 -0.700 30.7-147.6-115.4 160.3 -29.7 4.4 -13.1 41 40 A K E -Bc 94 84A 2 53,-3.0 53,-1.5 -2,-0.2 2,-0.3 -0.984 25.8-171.4-122.6 115.8 -33.1 2.9 -12.4 42 41 A T E - c 0 85A 2 42,-1.7 44,-1.5 -2,-0.5 11,-0.1 -0.817 29.5-121.4-112.5 152.7 -33.3 1.1 -9.1 43 42 A E S S+ 0 0 51 -2,-0.3 44,-0.1 42,-0.2 42,-0.1 0.207 74.8 108.8 -89.4 18.3 -36.1 -1.1 -7.7 44 43 A G S S- 0 0 13 42,-0.1 42,-1.1 1,-0.1 43,-0.5 -0.120 91.6 -87.9 -70.4-175.8 -36.9 0.9 -4.6 45 44 A N - 0 0 28 4,-0.3 3,-0.1 41,-0.2 5,-0.1 0.479 45.4-129.9 -83.9 -4.1 -40.1 2.9 -4.5 46 45 A G S S+ 0 0 8 1,-0.2 188,-0.2 2,-0.1 299,-0.1 0.644 77.4 90.2 68.0 14.8 -38.7 6.1 -6.1 47 46 A C S > S- 0 0 6 188,-0.0 3,-0.5 274,-0.0 189,-0.3 -0.024 97.7 -53.0-117.9-141.7 -40.1 8.2 -3.3 48 47 A V T 3 S+ 0 0 20 1,-0.2 2,-2.1 -3,-0.1 188,-0.3 0.999 126.5 44.0 -70.8 -66.2 -38.8 9.5 0.1 49 48 A N T 3 S+ 0 0 105 186,-0.1 2,-0.5 -4,-0.1 -4,-0.3 -0.375 79.8 125.6 -79.7 59.8 -37.7 6.3 1.9 50 49 A D < + 0 0 3 -2,-2.1 186,-0.4 -3,-0.5 4,-0.3 -0.964 24.5 167.1-120.7 109.5 -35.9 4.7 -1.1 51 50 A Y > + 0 0 129 -2,-0.5 4,-2.3 1,-0.2 5,-0.1 0.270 58.7 89.7-105.9 6.8 -32.4 3.9 -0.3 52 51 A T H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.795 85.1 58.2 -70.1 -26.3 -31.8 1.8 -3.3 53 52 A R H > S+ 0 0 1 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 111.4 37.9 -68.2 -46.8 -30.6 5.0 -5.0 54 53 A E H > S+ 0 0 91 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.866 115.8 54.3 -72.9 -38.9 -27.9 5.6 -2.5 55 54 A Y H X S+ 0 0 116 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.939 110.0 46.5 -61.5 -45.8 -27.0 1.9 -2.2 56 55 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.936 113.3 49.2 -63.0 -45.7 -26.6 1.7 -6.0 57 56 A T H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.861 110.9 51.2 -57.9 -37.8 -24.5 4.9 -6.0 58 57 A A H X S+ 0 0 35 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.876 112.3 43.9 -72.9 -38.8 -22.4 3.5 -3.1 59 58 A M H X S+ 0 0 64 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.881 114.2 49.7 -74.0 -39.8 -21.6 0.2 -4.8 60 59 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.935 112.6 47.9 -62.3 -45.5 -20.9 1.8 -8.2 61 60 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.862 112.4 49.1 -62.0 -39.1 -18.5 4.3 -6.5 62 61 A A H X S+ 0 0 20 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.909 110.8 50.6 -66.3 -44.7 -16.8 1.5 -4.6 63 62 A C H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.951 115.5 41.4 -56.9 -52.9 -16.4 -0.6 -7.7 64 63 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.843 110.2 60.1 -64.8 -33.7 -14.9 2.3 -9.6 65 64 A G H X>S+ 0 0 4 -4,-2.1 5,-2.2 -5,-0.2 4,-0.9 0.904 101.8 52.5 -61.4 -43.7 -12.8 3.3 -6.5 66 65 A R H ><5S+ 0 0 151 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.958 113.3 43.4 -54.9 -52.9 -11.1 -0.1 -6.5 67 66 A H H 3<5S+ 0 0 78 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 122.7 36.9 -64.8 -35.9 -10.0 0.3 -10.2 68 67 A L H 3<5S- 0 0 44 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.372 107.1-124.0 -96.2 2.2 -9.0 4.0 -9.8 69 68 A Q T <<5 + 0 0 179 -4,-0.9 -3,-0.2 -3,-0.8 -4,-0.1 0.966 67.4 131.9 45.9 60.2 -7.6 3.4 -6.3 70 69 A L < - 0 0 64 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.939 65.0-102.3-131.1 156.0 -9.8 6.2 -5.0 71 70 A P >> - 0 0 54 0, 0.0 4,-1.7 0, 0.0 3,-1.5 -0.602 37.4-117.1 -71.3 142.4 -12.1 6.5 -2.0 72 71 A P H 3> S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 -8,-0.0 0.852 114.8 56.8 -45.8 -44.2 -15.8 6.2 -3.0 73 72 A H H 34 S+ 0 0 109 1,-0.2 4,-0.3 2,-0.2 5,-0.1 0.781 105.2 52.2 -65.7 -26.2 -16.6 9.8 -2.0 74 73 A E H X> S+ 0 0 76 -3,-1.5 3,-1.4 2,-0.2 4,-1.3 0.902 106.1 53.4 -71.8 -42.2 -13.9 11.0 -4.4 75 74 A V H 3X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.3 3,-0.3 0.873 101.6 60.3 -58.9 -38.0 -15.4 9.0 -7.2 76 75 A E H 3< S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.2 5,-0.3 0.629 106.1 46.8 -69.0 -14.2 -18.8 10.8 -6.5 77 76 A K H <4 S+ 0 0 136 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.692 116.2 45.7 -91.4 -25.5 -17.2 14.2 -7.2 78 77 A R H < S+ 0 0 117 -4,-1.3 2,-0.4 -3,-0.3 -2,-0.2 0.832 117.5 43.0 -82.2 -37.0 -15.6 12.8 -10.4 79 78 A V S < S- 0 0 2 -4,-3.0 2,-1.0 -5,-0.1 -42,-0.2 -0.903 77.1-130.9-118.4 136.0 -18.7 11.0 -11.7 80 79 A A E -c 37 0A 0 -44,-2.2 -42,-2.5 -2,-0.4 2,-0.6 -0.781 25.2-167.8 -85.4 104.0 -22.3 12.2 -11.8 81 80 A F E +c 38 0A 19 -2,-1.0 2,-0.5 -5,-0.3 -42,-0.2 -0.849 8.7 177.9 -90.4 121.0 -24.4 9.4 -10.3 82 81 A V E -c 39 0A 0 -44,-3.1 -42,-2.4 -2,-0.6 2,-0.6 -0.907 4.8-175.6-125.6 101.4 -28.2 10.0 -10.9 83 82 A M E -c 40 0A 1 -2,-0.5 2,-0.6 -44,-0.2 -42,-0.2 -0.878 7.8-164.4-104.8 117.5 -30.2 7.1 -9.5 84 83 A S E -c 41 0A 3 -44,-2.9 -42,-1.7 -2,-0.6 259,-0.1 -0.906 13.9-149.7-101.0 115.0 -34.0 7.2 -10.2 85 84 A G E +c 42 0A 1 -2,-0.6 -42,-0.2 -44,-0.2 -40,-0.2 -0.347 55.3 71.5 -76.1 161.5 -35.9 4.8 -7.9 86 85 A G + 0 0 0 -44,-1.5 2,-0.2 -42,-1.1 257,-0.2 0.775 37.3 179.5 97.9 100.0 -39.1 3.1 -8.9 87 86 A T + 0 0 4 -43,-0.5 589,-0.4 -44,-0.1 -1,-0.1 -0.617 23.9 166.9-127.1 68.4 -39.3 0.3 -11.5 88 87 A E > - 0 0 2 -2,-0.2 3,-1.9 234,-0.1 2,-0.2 -0.406 50.3 -1.7 -86.4 160.4 -42.9 -0.5 -11.5 89 88 A G T 3 S- 0 0 0 1,-0.3 587,-0.6 -2,-0.1 588,-0.4 -0.421 136.8 -13.9 63.0-126.2 -44.8 -2.6 -14.1 90 89 A V T 3 S+ 0 0 3 236,-0.3 249,-0.3 -2,-0.2 -1,-0.3 0.405 96.2 131.8 -90.6 3.8 -42.4 -3.8 -16.8 91 90 A L < - 0 0 1 -3,-1.9 585,-0.4 249,-0.1 249,-0.2 -0.383 46.4-151.8 -61.6 126.3 -39.6 -1.3 -15.8 92 91 A S - 0 0 3 247,-1.6 583,-0.1 249,-0.2 -51,-0.1 -0.910 17.6-114.5-109.1 118.6 -36.4 -3.4 -15.6 93 92 A P + 0 0 2 0, 0.0 -81,-1.6 0, 0.0 2,-0.3 -0.124 55.7 131.7 -52.7 142.4 -33.6 -2.2 -13.3 94 93 A H E -AB 11 41A 0 -53,-1.5 -53,-3.0 -83,-0.3 2,-0.4 -0.977 46.5-117.2-175.9 167.3 -30.5 -1.1 -15.0 95 94 A H E -AB 10 40A 4 -85,-2.4 -85,-3.1 -2,-0.3 2,-0.6 -0.941 11.7-147.5-117.9 145.1 -27.8 1.5 -15.3 96 95 A T E -AB 9 39A 0 -57,-2.5 -57,-2.4 -2,-0.4 2,-0.5 -0.974 21.9-157.7-105.7 117.6 -26.9 3.7 -18.3 97 96 A V E -AB 8 38A 1 -89,-3.1 -89,-2.5 -2,-0.6 2,-0.5 -0.848 4.0-160.9 -98.9 125.3 -23.1 4.3 -18.2 98 97 A F E -AB 7 37A 0 -61,-3.1 -62,-2.4 -2,-0.5 -61,-1.6 -0.918 8.1-172.8-107.4 122.0 -21.7 7.3 -20.0 99 98 A A E -AB 6 35A 1 -93,-2.8 -93,-2.3 -2,-0.5 2,-0.4 -0.924 5.4-160.3-116.0 141.4 -18.0 7.3 -20.8 100 99 A R E +A 5 0A 48 -66,-3.3 -95,-0.2 -2,-0.4 15,-0.0 -0.985 12.1 174.1-126.8 124.1 -16.1 10.3 -22.3 101 100 A R E -A 4 0A 87 -97,-2.3 -97,-3.1 -2,-0.4 3,-0.2 -0.928 45.2 -86.8-124.3 151.6 -12.7 10.1 -24.1 102 101 A P E S-A 3 0A 108 0, 0.0 -99,-0.3 0, 0.0 -1,-0.0 -0.339 75.2 -70.5 -56.0 140.0 -10.7 12.7 -25.9 103 102 A A - 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