==== 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 4BVS . 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) . 25539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 67.6 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 . 45 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 25.4 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 0 105 0, 0.0 2,-0.7 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 58.0 24.9 -1.7 25.5 2 1 A M + 0 0 105 101,-0.1 101,-3.8 250,-0.1 2,-0.3 -0.907 360.0 172.1-115.2 105.5 22.3 -2.7 28.1 3 2 A Y E -A 102 0A 35 -2,-0.7 250,-2.4 99,-0.3 2,-0.5 -0.743 37.3-147.2-117.0 157.1 20.2 -5.5 26.8 4 3 A H E -A 101 0A 6 97,-2.8 97,-2.2 -2,-0.3 2,-0.4 -0.982 28.7-159.0-114.8 115.7 17.5 -8.1 27.7 5 4 A I E -A 100 0A 1 -2,-0.5 250,-0.4 109,-0.4 2,-0.4 -0.810 8.7-170.1 -98.4 133.3 18.0 -11.3 25.8 6 5 A D E -A 99 0A 26 93,-2.4 93,-2.6 -2,-0.4 2,-0.4 -0.945 3.5-164.3-116.2 142.6 15.3 -13.8 25.1 7 6 A V E -A 98 0A 3 -2,-0.4 2,-0.4 91,-0.2 91,-0.2 -0.995 5.6-175.7-131.1 129.1 16.0 -17.3 23.7 8 7 A F E -A 97 0A 22 89,-2.3 89,-3.2 -2,-0.4 2,-0.6 -0.985 15.4-155.0-129.4 124.2 13.4 -19.6 22.2 9 8 A R E -A 96 0A 67 -2,-0.4 87,-0.2 87,-0.2 -2,-0.0 -0.878 23.9-176.1 -91.5 120.5 13.9 -23.1 20.9 10 9 A I E -A 95 0A 10 85,-3.0 85,-2.3 -2,-0.6 11,-0.1 -0.970 21.4-123.5-124.8 131.3 11.1 -23.8 18.4 11 10 A P E -A 94 0A 70 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.298 18.5-152.0 -66.5 152.7 10.4 -27.1 16.6 12 11 A C - 0 0 7 81,-1.8 662,-0.1 29,-0.1 6,-0.1 -0.998 13.9-165.2-123.6 133.0 10.2 -27.3 12.8 13 12 A H S S- 0 0 132 -2,-0.4 -1,-0.1 1,-0.2 81,-0.0 0.627 84.3 -5.3 -85.2 -15.9 8.2 -29.8 10.9 14 13 A S S > S- 0 0 48 3,-0.1 3,-1.4 1,-0.1 -1,-0.2 -0.952 84.4 -91.1-167.0 167.1 10.1 -29.0 7.7 15 14 A P T 3 S+ 0 0 22 0, 0.0 44,-0.1 0, 0.0 -1,-0.1 0.850 124.4 46.2 -60.8 -36.0 12.8 -26.5 6.6 16 15 A G T 3 S+ 0 0 12 43,-0.1 2,-0.5 42,-0.1 36,-0.0 0.483 83.0 122.4 -82.8 -3.9 10.3 -23.9 5.4 17 16 A D < + 0 0 26 -3,-1.4 3,-0.1 1,-0.2 -3,-0.1 -0.474 22.0 160.4 -68.2 114.7 8.1 -24.2 8.6 18 17 A T > + 0 0 24 -2,-0.5 4,-2.3 1,-0.1 3,-0.5 0.188 44.5 106.2-110.7 13.7 7.8 -20.8 10.3 19 18 A S H > S+ 0 0 63 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.857 75.2 54.8 -67.7 -37.9 4.6 -21.7 12.3 20 19 A G H > S+ 0 0 17 -9,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.826 112.4 45.6 -60.8 -33.1 6.5 -22.0 15.6 21 20 A L H > S+ 0 0 2 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.840 108.7 53.7 -80.0 -37.6 7.7 -18.4 15.0 22 21 A E H X S+ 0 0 41 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.904 107.7 53.9 -60.0 -39.3 4.3 -17.1 14.0 23 22 A D H X S+ 0 0 91 -4,-2.3 4,-2.1 1,-0.2 6,-0.3 0.896 106.3 49.9 -63.5 -42.6 3.0 -18.6 17.3 24 23 A L H <>S+ 0 0 6 -4,-1.2 6,-1.3 2,-0.2 5,-1.3 0.886 115.1 45.0 -61.6 -39.5 5.6 -16.7 19.4 25 24 A I H ><5S+ 0 0 20 -4,-1.8 3,-2.0 4,-0.2 -2,-0.2 0.977 113.0 49.3 -69.4 -53.4 4.7 -13.5 17.6 26 25 A E H 3<5S+ 0 0 131 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.831 110.4 51.5 -53.6 -37.9 0.9 -14.0 17.8 27 26 A T T 3<5S- 0 0 74 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.204 112.4-115.8 -91.7 15.9 1.1 -14.8 21.5 28 27 A G T < 5S+ 0 0 69 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.531 81.6 122.8 68.4 6.8 3.0 -11.7 22.4 29 28 A R S > - 0 0 42 -2,-0.3 3,-2.4 1,-0.1 4,-0.6 -0.891 18.3-137.5-100.7 122.3 8.4 -8.8 19.1 32 31 A P G >4 S+ 0 0 23 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.804 102.0 58.0 -42.8 -42.3 9.6 -9.2 15.4 33 32 A A G 34 S+ 0 0 45 1,-0.2 67,-0.0 34,-0.1 31,-0.0 0.696 101.4 56.2 -69.2 -19.1 11.7 -6.1 15.6 34 33 A D G <4 S+ 0 0 44 -3,-2.4 66,-2.6 65,-0.1 2,-0.3 0.634 77.7 108.6 -87.2 -14.8 13.7 -7.4 18.5 35 34 A I E << +B 99 0A 3 -3,-1.0 64,-0.3 -4,-0.6 3,-0.1 -0.487 33.9 164.7 -70.4 125.9 14.9 -10.6 16.8 36 35 A V E + 0 0 17 62,-2.3 44,-2.8 1,-0.3 2,-0.3 0.563 59.2 16.2-116.7 -18.3 18.6 -10.3 16.0 37 36 A A E -Bc 98 80A 0 61,-1.5 61,-3.0 42,-0.3 2,-0.4 -0.977 49.0-164.5-159.0 143.4 19.7 -13.8 15.3 38 37 A V E -Bc 97 81A 2 42,-2.5 44,-2.9 -2,-0.3 2,-0.6 -0.992 6.2-166.8-128.0 125.1 18.3 -17.3 14.4 39 38 A M E -Bc 96 82A 0 57,-2.5 57,-2.8 -2,-0.4 2,-0.3 -0.956 22.5-175.6-109.0 114.5 20.4 -20.4 14.7 40 39 A G E -Bc 95 83A 0 42,-2.5 44,-3.0 -2,-0.6 2,-0.5 -0.737 29.9-150.5-114.4 155.0 18.7 -23.3 13.0 41 40 A K E -Bc 94 84A 2 53,-3.1 53,-1.5 -2,-0.3 2,-0.3 -0.981 27.1-171.6-118.8 113.2 19.2 -27.0 12.4 42 41 A T E - c 0 85A 3 42,-1.3 44,-1.6 -2,-0.5 11,-0.1 -0.792 29.3-119.3-111.4 152.9 17.6 -28.0 9.1 43 42 A E S S+ 0 0 51 -2,-0.3 44,-0.1 42,-0.2 42,-0.1 0.161 74.5 108.4 -90.8 20.9 17.1 -31.5 7.7 44 43 A G S S- 0 0 13 42,-0.1 42,-0.9 1,-0.1 43,-0.6 -0.106 91.9 -86.9 -71.5-174.2 19.2 -31.3 4.6 45 44 A N - 0 0 28 4,-0.3 3,-0.1 41,-0.2 5,-0.1 0.523 46.8-130.0 -82.9 -6.9 22.5 -33.2 4.4 46 45 A G S S+ 0 0 7 1,-0.2 188,-0.2 2,-0.1 299,-0.1 0.557 77.3 91.6 73.3 7.5 24.5 -30.4 6.0 47 46 A C S > S- 0 0 6 2,-0.0 3,-0.5 188,-0.0 189,-0.3 0.142 97.8 -54.0-110.0-137.8 27.1 -30.6 3.2 48 47 A V T 3 S+ 0 0 22 1,-0.2 2,-1.8 -3,-0.1 188,-0.3 0.993 127.0 44.5 -76.0 -62.3 27.4 -28.8 -0.1 49 48 A N T 3 S+ 0 0 105 186,-0.1 2,-0.6 -4,-0.1 -4,-0.3 -0.374 78.6 125.4 -82.6 58.8 24.1 -29.4 -1.9 50 49 A D < + 0 0 3 -2,-1.8 3,-0.4 -3,-0.5 186,-0.4 -0.932 24.6 167.2-117.0 101.9 21.9 -28.6 1.1 51 50 A Y > + 0 0 134 -2,-0.6 4,-2.4 1,-0.2 5,-0.1 0.362 58.9 90.1 -94.6 3.3 19.5 -26.0 0.1 52 51 A T H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.805 84.4 57.6 -67.3 -27.4 17.4 -26.5 3.3 53 52 A R H > S+ 0 0 1 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.934 110.4 40.6 -66.2 -47.1 19.6 -23.9 4.9 54 53 A E H > S+ 0 0 93 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.877 114.2 53.8 -70.1 -38.3 18.8 -21.2 2.3 55 54 A Y H X S+ 0 0 119 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.941 109.6 47.2 -63.2 -45.9 15.1 -22.3 2.2 56 55 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.933 113.9 47.9 -60.9 -47.7 14.7 -21.9 6.0 57 56 A T H X S+ 0 0 16 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.929 110.8 52.0 -56.0 -46.7 16.5 -18.5 5.9 58 57 A A H X S+ 0 0 36 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.898 113.0 43.3 -62.0 -43.4 14.3 -17.3 3.0 59 58 A M H X S+ 0 0 63 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.912 113.4 50.0 -70.9 -43.8 11.1 -18.2 4.7 60 59 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.928 112.9 48.4 -57.6 -45.6 12.0 -16.8 8.2 61 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.916 112.5 47.7 -61.1 -45.1 13.1 -13.6 6.4 62 61 A A H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.878 112.3 50.6 -62.6 -40.5 9.8 -13.5 4.5 63 62 A C H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.955 116.8 39.0 -62.0 -50.8 7.8 -14.2 7.7 64 63 A L H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.845 110.8 61.6 -67.6 -33.5 9.7 -11.4 9.5 65 64 A G H X>S+ 0 0 4 -4,-2.8 5,-2.3 -5,-0.2 4,-0.8 0.878 101.4 52.8 -60.6 -41.2 9.5 -9.2 6.4 66 65 A R H ><5S+ 0 0 148 -4,-2.0 3,-0.9 3,-0.2 -1,-0.2 0.969 112.6 42.8 -55.4 -56.4 5.7 -9.3 6.5 67 66 A H H 3<5S+ 0 0 76 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.834 123.0 37.8 -63.8 -36.3 5.5 -8.1 10.1 68 67 A L H 3<5S- 0 0 40 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.445 106.3-126.2 -92.6 -0.3 8.3 -5.4 9.7 69 68 A Q T <<5 + 0 0 178 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.941 65.7 133.4 47.2 53.6 7.1 -4.5 6.2 70 69 A L < - 0 0 65 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.871 64.8-101.4-121.3 158.6 10.6 -5.1 4.9 71 70 A P >> - 0 0 51 0, 0.0 4,-1.8 0, 0.0 3,-1.3 -0.643 36.0-118.9 -72.2 140.9 12.0 -6.9 1.9 72 71 A P H 3> S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.882 115.6 57.8 -43.8 -48.1 13.4 -10.4 2.9 73 72 A H H 34 S+ 0 0 111 1,-0.2 4,-0.3 2,-0.2 -11,-0.0 0.837 106.3 49.6 -56.3 -34.0 16.9 -9.2 1.7 74 73 A E H X> S+ 0 0 78 -3,-1.3 4,-1.2 1,-0.2 3,-1.1 0.865 106.7 54.0 -72.8 -37.1 16.7 -6.3 4.2 75 74 A V H >X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 3,-0.6 0.907 102.1 59.6 -61.0 -39.7 15.7 -8.6 7.0 76 75 A E H 3< S+ 0 0 86 -4,-2.1 5,-0.3 1,-0.3 -1,-0.2 0.612 105.1 49.3 -67.0 -13.9 18.8 -10.7 6.2 77 76 A K H <4 S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.712 116.1 42.5 -89.9 -27.4 21.0 -7.6 6.9 78 77 A R H << S+ 0 0 115 -4,-1.2 2,-0.4 -3,-0.6 -2,-0.2 0.792 116.2 48.1 -88.4 -34.5 19.2 -6.9 10.2 79 78 A V S < S- 0 0 1 -4,-2.9 2,-1.0 -5,-0.1 -42,-0.3 -0.923 77.9-131.6-115.9 131.6 19.0 -10.5 11.5 80 79 A A E -c 37 0A 0 -44,-2.8 -42,-2.5 -2,-0.4 2,-0.6 -0.729 25.0-167.3 -80.8 103.9 21.9 -13.0 11.6 81 80 A F E +c 38 0A 19 -2,-1.0 2,-0.5 -5,-0.3 -42,-0.2 -0.856 10.1 176.3 -92.0 118.4 20.5 -16.2 10.1 82 81 A V E -c 39 0A 0 -44,-2.9 -42,-2.5 -2,-0.6 2,-0.6 -0.935 4.9-177.1-123.1 103.1 22.8 -19.2 10.7 83 82 A M E -c 40 0A 1 -2,-0.5 2,-0.7 -44,-0.2 -42,-0.2 -0.916 6.8-167.3-106.0 115.9 21.3 -22.4 9.4 84 83 A S E -c 41 0A 2 -44,-3.0 -42,-1.3 -2,-0.6 259,-0.1 -0.917 13.7-153.0-103.5 110.5 23.3 -25.5 10.0 85 84 A G E +c 42 0A 1 -2,-0.7 -42,-0.2 -44,-0.2 -40,-0.1 -0.306 52.4 77.6 -72.9 165.3 22.0 -28.4 8.0 86 85 A G - 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