==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-12 4DLF . COMPND 2 MOLECULE: AMIDOHYDROLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA MULTIVORANS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,R.D.SEIDEL,B.HILLERICH,E.WASHING . 287 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 3 1 0 0 2 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 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 0 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 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 3 A A 0 0 120 0, 0.0 277,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 107.2 -50.1 7.3 146.9 2 4 A L - 0 0 77 275,-0.1 2,-0.6 276,-0.1 279,-0.1 -0.388 360.0-147.8 -68.4 141.1 -47.8 10.1 148.3 3 5 A R + 0 0 89 274,-0.1 44,-2.2 -2,-0.1 45,-1.4 -0.967 29.2 176.0-111.8 117.7 -47.3 13.1 146.1 4 6 A I E -a 48 0A 2 272,-2.2 2,-1.0 -2,-0.6 45,-0.2 -0.958 39.9-144.2-130.9 132.3 -43.8 14.4 146.8 5 7 A D E -a 49 0A 0 43,-1.9 45,-2.2 -2,-0.4 235,-0.2 -0.856 27.7-165.2 -85.2 100.6 -41.5 17.2 145.5 6 8 A S E + 0 0 0 233,-2.3 2,-0.3 -2,-1.0 234,-0.2 0.501 65.8 39.6 -74.0 -2.2 -38.3 15.1 145.9 7 9 A H E + 0 0 0 232,-0.1 235,-2.9 2,-0.0 236,-0.5 -0.770 67.5 126.7-152.4 105.7 -35.8 18.0 145.6 8 10 A Q E -a 51 0A 0 42,-1.8 44,-2.9 -2,-0.3 2,-0.3 -0.945 36.5-132.5-146.2 170.0 -36.0 21.5 147.0 9 11 A H - 0 0 7 234,-3.2 2,-0.3 -2,-0.3 44,-0.1 -0.847 8.5-163.6-122.8 159.7 -33.9 23.9 149.1 10 12 A F + 0 0 2 42,-0.4 2,-0.3 -2,-0.3 44,-0.2 -0.980 19.7 159.1-132.6 151.3 -34.4 26.3 152.0 11 13 A W B -H 32 0B 0 21,-2.3 21,-2.4 -2,-0.3 2,-0.7 -0.952 44.3-136.8-165.1 148.3 -32.2 29.1 153.2 12 14 A R - 0 0 144 -2,-0.3 19,-0.1 19,-0.2 2,-0.1 -0.970 55.4-120.6 -95.2 114.4 -31.8 32.3 155.2 13 15 A Y + 0 0 64 -2,-0.7 2,-0.3 15,-0.0 18,-0.1 -0.331 45.5 160.4 -69.5 133.3 -29.7 34.1 152.6 14 16 A R >> - 0 0 147 1,-0.1 3,-1.7 16,-0.1 4,-0.7 -0.901 36.1-137.0-146.0 122.0 -26.2 35.3 153.4 15 17 A A G >4 S+ 0 0 59 -2,-0.3 3,-1.6 1,-0.3 6,-0.2 0.868 99.4 49.9 -50.9 -52.3 -24.0 36.0 150.4 16 18 A A G 34 S+ 0 0 75 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.671 106.9 57.0 -61.4 -22.0 -20.7 34.5 151.7 17 19 A D G <4 S+ 0 0 55 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.612 108.1 46.1 -87.5 -13.2 -22.5 31.2 152.7 18 20 A Y X< + 0 0 12 -3,-1.6 3,-1.8 -4,-0.7 -1,-0.2 -0.669 61.7 167.6-129.5 77.5 -23.9 30.5 149.2 19 21 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.729 73.2 67.0 -67.5 -22.7 -21.0 31.1 146.7 20 22 A W T 3 S+ 0 0 70 -3,-0.1 2,-0.9 1,-0.1 35,-0.0 0.642 82.5 81.4 -74.5 -14.5 -22.9 29.4 143.9 21 23 A I S < S+ 0 0 13 -3,-1.8 -3,-0.1 -6,-0.2 2,-0.1 -0.832 71.9 149.0 -90.3 105.7 -25.4 32.3 144.0 22 24 A G > - 0 0 36 -2,-0.9 3,-1.7 1,-0.2 7,-0.1 -0.212 42.7 -17.6-120.5-155.5 -23.5 34.8 141.9 23 25 A A T 3 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.292 125.1 15.7 -55.3 128.7 -23.8 37.7 139.5 24 26 A G T 3 S+ 0 0 66 -3,-0.1 -1,-0.2 1,-0.0 3,-0.2 0.537 96.8 100.8 87.1 7.6 -27.3 37.9 137.8 25 27 A M X> + 0 0 29 -3,-1.7 3,-2.2 1,-0.2 4,-0.6 -0.067 34.5 137.9-115.1 32.2 -29.0 35.6 140.3 26 28 A G G >4 + 0 0 44 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.723 60.5 69.7 -48.1 -29.8 -30.6 38.4 142.4 27 29 A V G 34 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.820 101.7 46.1 -63.3 -27.2 -33.9 36.5 142.6 28 30 A L G <4 S+ 0 0 0 -3,-2.2 2,-2.4 1,-0.2 -1,-0.2 0.635 84.9 95.3 -89.2 -14.8 -32.2 33.9 144.9 29 31 A A S << S+ 0 0 35 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 -0.272 77.5 66.1 -79.5 56.1 -30.5 36.5 147.1 30 32 A R S S- 0 0 127 -2,-2.4 2,-0.1 -3,-0.1 -16,-0.1 -0.948 95.5 -68.0-159.5 170.4 -33.3 36.4 149.7 31 33 A D - 0 0 86 -2,-0.3 2,-0.4 -18,-0.1 -19,-0.2 -0.438 36.9-172.3 -69.7 138.6 -34.8 34.0 152.3 32 34 A Y B +H 11 0B 23 -21,-2.4 -21,-2.3 -2,-0.1 -1,-0.0 -0.937 18.4 165.5-129.7 112.8 -36.8 31.0 151.1 33 35 A L >> - 0 0 33 -2,-0.4 3,-1.5 -23,-0.2 4,-1.1 -0.693 52.8 -90.3-125.2 168.2 -38.5 29.2 154.0 34 36 A P H 3> S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 -24,-0.0 0.745 119.6 63.9 -55.8 -24.8 -41.2 26.5 154.2 35 37 A D H 34 S+ 0 0 133 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.825 103.6 46.4 -70.4 -31.3 -44.0 29.1 154.4 36 38 A A H <> S+ 0 0 51 -3,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.775 113.0 51.2 -75.5 -28.8 -43.2 30.4 150.9 37 39 A L H X S+ 0 0 3 -4,-1.1 4,-2.0 1,-0.2 3,-0.3 0.843 94.2 73.0 -79.5 -34.2 -43.1 26.8 149.6 38 40 A H H X S+ 0 0 58 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.879 96.3 44.8 -50.5 -54.8 -46.4 25.6 150.9 39 41 A P H > S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.867 111.3 56.6 -61.8 -34.2 -48.8 27.5 148.6 40 42 A L H X S+ 0 0 57 -4,-0.6 4,-0.6 -3,-0.3 -2,-0.2 0.904 111.9 40.7 -62.6 -43.5 -46.7 26.4 145.6 41 43 A M H ><>S+ 0 0 4 -4,-2.0 5,-2.7 2,-0.2 3,-0.6 0.823 110.2 60.4 -72.7 -31.8 -47.0 22.8 146.5 42 44 A H H ><5S+ 0 0 134 -4,-2.3 3,-2.2 -5,-0.3 -2,-0.2 0.961 100.9 53.2 -60.5 -49.2 -50.7 23.3 147.4 43 45 A A H 3<5S+ 0 0 77 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.714 113.1 44.1 -58.4 -23.4 -51.4 24.4 143.8 44 46 A Q T <<5S- 0 0 18 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.348 112.1-119.7-102.7 4.9 -49.8 21.2 142.5 45 47 A A T < 5 + 0 0 68 -3,-2.2 2,-0.4 -4,-0.3 -3,-0.2 0.800 59.8 155.1 57.3 32.3 -51.5 19.0 145.0 46 48 A L < - 0 0 10 -5,-2.7 -1,-0.2 1,-0.1 -42,-0.2 -0.768 31.3-159.9 -87.6 135.3 -48.1 17.9 146.3 47 49 A G - 0 0 49 -44,-2.2 2,-0.3 -2,-0.4 -43,-0.2 0.807 62.1 -6.3 -90.2 -34.1 -48.3 16.8 150.0 48 50 A A E -a 4 0A 8 -45,-1.4 -43,-1.9 -7,-0.1 2,-0.3 -0.981 60.5-141.3-157.4 163.5 -44.7 17.1 151.2 49 51 A S E -ab 5 74A 0 24,-2.3 26,-2.6 -2,-0.3 27,-1.0 -0.777 15.9-122.5-126.1 172.5 -41.2 17.8 150.0 50 52 A I E - b 0 76A 0 -45,-2.2 -42,-1.8 -2,-0.3 2,-0.4 -0.973 25.2-146.4-117.3 117.0 -37.6 16.7 150.5 51 53 A A E -ab 8 77A 1 25,-1.8 27,-3.0 -2,-0.5 2,-0.4 -0.702 14.8-159.7 -87.0 129.3 -35.2 19.4 151.6 52 54 A V E - b 0 78A 0 -44,-2.9 -42,-0.4 -2,-0.4 27,-0.2 -0.885 29.4 -94.9-115.7 136.8 -31.7 19.0 150.2 53 55 A Q - 0 0 0 25,-2.6 3,-0.1 -2,-0.4 -1,-0.1 -0.159 32.3-170.8 -46.8 133.0 -28.5 20.6 151.6 54 56 A A + 0 0 1 -44,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.407 69.0 24.7-111.2 -1.8 -27.8 23.8 149.7 55 57 A R S S- 0 0 41 2,-0.1 2,-0.2 -37,-0.1 -1,-0.2 -0.974 87.1 -96.2-154.1 161.6 -24.4 24.4 151.2 56 58 A A S S+ 0 0 46 -2,-0.3 2,-0.1 -39,-0.2 3,-0.1 -0.583 73.8 83.1 -81.9 145.3 -21.5 22.4 152.8 57 59 A G S >> S- 0 0 14 -2,-0.2 3,-1.0 1,-0.1 4,-1.0 -0.223 77.7-109.8 129.7 136.1 -21.4 22.2 156.6 58 60 A R H 3> S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 22,-0.1 0.765 114.4 67.2 -62.6 -25.9 -23.0 20.2 159.4 59 61 A D H 3> S+ 0 0 93 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.805 92.8 58.1 -69.4 -28.2 -25.0 23.3 160.3 60 62 A E H <> S+ 0 0 2 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.920 107.4 48.2 -62.8 -42.9 -26.9 23.1 157.1 61 63 A T H X S+ 0 0 0 -4,-1.0 4,-2.6 19,-0.3 5,-0.3 0.949 112.3 48.2 -59.8 -49.1 -28.0 19.6 158.2 62 64 A A H X S+ 0 0 42 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.937 112.5 50.3 -55.2 -48.6 -28.9 21.1 161.6 63 65 A F H X S+ 0 0 35 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.941 112.4 44.6 -55.1 -53.8 -30.8 23.9 159.9 64 66 A L H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.889 113.4 49.9 -63.3 -39.3 -32.8 21.6 157.6 65 67 A L H X S+ 0 0 15 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.819 109.0 53.6 -71.9 -27.0 -33.7 19.1 160.3 66 68 A E H < S+ 0 0 150 -4,-1.9 4,-0.5 -5,-0.3 -2,-0.2 0.952 110.4 45.8 -68.5 -48.9 -34.8 22.0 162.5 67 69 A L H < S+ 0 0 35 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.861 121.7 40.3 -54.4 -37.1 -37.2 23.2 159.8 68 70 A A H >< S+ 0 0 0 -4,-1.9 3,-1.9 -5,-0.2 -2,-0.2 0.742 85.9 97.2 -87.7 -27.8 -38.3 19.7 159.3 69 71 A C T 3< S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.734 108.1 4.8 -35.7 -49.3 -38.5 18.5 162.9 70 72 A D T 3 S+ 0 0 150 -4,-0.5 2,-0.6 -3,-0.3 -1,-0.3 -0.018 101.5 108.9-135.3 29.0 -42.2 19.0 163.4 71 73 A E X - 0 0 48 -3,-1.9 3,-1.8 3,-0.2 -4,-0.0 -0.929 48.9-161.9-113.3 108.6 -43.4 20.1 159.9 72 74 A A T 3 S+ 0 0 89 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.756 86.3 66.6 -64.3 -25.7 -45.5 17.4 158.2 73 75 A R T 3 S+ 0 0 90 -25,-0.1 -24,-2.3 1,-0.1 2,-0.6 0.412 90.9 70.3 -78.5 1.8 -45.0 19.0 154.7 74 76 A I E < +b 49 0A 2 -3,-1.8 -24,-0.2 -26,-0.2 -3,-0.2 -0.956 62.5 178.2-116.7 111.1 -41.3 18.2 154.9 75 77 A A E - 0 0 18 -26,-2.6 2,-0.3 -2,-0.6 -25,-0.2 0.786 61.0 -8.8 -88.6 -28.7 -41.1 14.4 154.6 76 78 A A E -b 50 0A 0 -27,-1.0 -25,-1.8 210,-0.1 2,-0.4 -0.972 57.6-133.3-158.7 168.4 -37.3 14.0 154.7 77 79 A V E -bc 51 100A 0 22,-1.8 24,-2.5 -2,-0.3 25,-1.1 -0.984 5.0-152.3-129.9 139.2 -34.0 15.8 154.6 78 80 A V E -bc 52 102A 0 -27,-3.0 -25,-2.6 -2,-0.4 25,-0.3 -0.946 35.7-173.0-107.4 107.4 -30.9 15.1 152.5 79 81 A G E - c 0 103A 0 23,-2.4 25,-1.9 -2,-0.7 2,-0.4 -0.020 20.9-111.9 -95.1-165.5 -28.1 16.5 154.7 80 82 A W + 0 0 33 -23,-0.2 2,-0.3 23,-0.2 -19,-0.3 -0.998 34.2 157.2-131.4 132.5 -24.4 17.2 154.5 81 83 A E - 0 0 3 -2,-0.4 2,-1.2 23,-0.2 3,-0.1 -0.961 52.4-101.2-138.8 160.0 -21.6 15.6 156.5 82 84 A D > - 0 0 61 -2,-0.3 3,-1.3 1,-0.2 6,-0.1 -0.751 37.9-169.1 -76.8 100.8 -17.8 15.2 155.9 83 85 A L T 3 S+ 0 0 4 -2,-1.2 42,-0.2 1,-0.3 -1,-0.2 0.587 79.5 60.8 -72.7 -9.3 -18.0 11.6 154.7 84 86 A R T 3 S+ 0 0 93 41,-0.1 -1,-0.3 40,-0.1 38,-0.1 0.561 80.3 104.8 -91.4 -11.6 -14.2 11.2 154.8 85 87 A A X - 0 0 7 -3,-1.3 3,-2.0 1,-0.1 4,-0.2 -0.573 69.0-141.6 -77.6 129.8 -14.1 11.8 158.6 86 88 A P T 3 S+ 0 0 93 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.704 102.8 64.2 -57.6 -21.2 -13.5 8.8 160.8 87 89 A Q T 3> + 0 0 64 1,-0.2 4,-2.3 2,-0.1 3,-0.4 0.318 69.7 111.7 -85.0 7.5 -15.9 10.3 163.2 88 90 A L H <> S+ 0 0 4 -3,-2.0 4,-2.0 1,-0.2 5,-0.2 0.879 72.9 51.0 -52.2 -47.1 -18.7 10.0 160.7 89 91 A A H > S+ 0 0 43 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.893 111.7 46.3 -60.0 -42.1 -20.6 7.4 162.6 90 92 A E H > S+ 0 0 141 -3,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.859 112.9 50.2 -70.3 -36.1 -20.7 9.3 165.8 91 93 A R H < S+ 0 0 76 -4,-2.3 3,-0.4 1,-0.2 4,-0.2 0.835 108.8 50.3 -71.1 -34.2 -21.7 12.6 164.1 92 94 A V H >< S+ 0 0 2 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.2 0.806 97.8 69.5 -75.9 -27.4 -24.6 11.0 162.2 93 95 A A H >< S+ 0 0 52 -4,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.845 86.1 68.4 -56.7 -34.4 -25.8 9.5 165.5 94 96 A E T 3< S+ 0 0 114 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.747 100.1 49.4 -54.8 -24.5 -26.7 13.0 166.5 95 97 A W T X S+ 0 0 19 -3,-2.1 3,-1.9 -4,-0.2 5,-0.4 0.304 80.6 135.3-100.9 6.0 -29.4 12.9 163.8 96 98 A R T < S+ 0 0 196 -3,-2.1 3,-0.1 1,-0.2 -3,-0.0 -0.228 70.3 21.3 -53.7 142.4 -30.9 9.5 164.9 97 99 A G T 3 S+ 0 0 89 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.233 103.4 111.2 85.6 -15.6 -34.7 9.5 165.0 98 100 A T S < S- 0 0 52 -3,-1.9 -1,-0.2 1,-0.1 -3,-0.1 -0.028 86.3 -96.5 -86.0-172.3 -35.0 12.5 162.6 99 101 A K S S+ 0 0 50 -34,-0.1 -22,-1.8 -3,-0.1 2,-0.2 0.340 75.8 132.4 -88.7 7.1 -36.2 12.8 159.1 100 102 A L E +c 77 0A 8 -5,-0.4 -22,-0.2 -24,-0.2 -3,-0.1 -0.428 19.6 160.1 -57.9 124.2 -32.7 12.5 157.7 101 103 A R E - 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