==== 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 09-FEB-12 4DO7 . COMPND 2 MOLECULE: AMIDOHYDROLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA MULTIVORANS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,S.R.WASSERMAN,L.L.MORISCO,S.SOJI . 568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 42 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 5 2 0 0 4 2 2 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 11 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 0 100 0, 0.0 275,-0.1 0, 0.0 271,-0.0 0.000 360.0 360.0 360.0 148.6 16.3 16.0 24.9 2 4 A L - 0 0 77 273,-0.2 2,-0.6 274,-0.1 277,-0.2 -0.296 360.0-134.5 -60.6 148.1 17.8 12.6 25.7 3 5 A R + 0 0 91 272,-0.2 45,-1.5 273,-0.1 44,-1.5 -0.962 36.8 179.0-107.6 115.2 16.2 9.6 23.9 4 6 A I E -a 48 0A 3 270,-2.1 2,-0.9 -2,-0.6 45,-0.2 -0.934 38.7-145.3-127.1 132.2 15.9 7.0 26.6 5 7 A D E -a 49 0A 0 43,-2.6 45,-2.4 -2,-0.4 233,-0.2 -0.868 27.0-166.9 -86.1 105.7 14.5 3.5 26.8 6 8 A S E + 0 0 0 231,-2.2 2,-0.3 -2,-0.9 232,-0.2 0.478 64.0 42.6 -80.8 -0.4 13.1 3.9 30.3 7 9 A H E + 0 0 0 230,-0.1 233,-2.9 2,-0.0 234,-0.6 -0.751 66.2 126.2-153.6 100.8 12.5 0.2 31.1 8 10 A Q E -ab 51 241A 0 42,-1.8 44,-3.0 -2,-0.3 2,-0.3 -0.966 34.6-142.3-146.2 163.9 14.7 -2.8 30.3 9 11 A H - 0 0 7 232,-2.6 2,-0.3 -2,-0.3 44,-0.1 -0.814 5.9-161.9-121.1 160.9 16.2 -5.7 32.2 10 12 A F + 0 0 0 42,-0.4 2,-0.3 -2,-0.3 23,-0.2 -0.977 17.1 168.3-133.5 154.5 19.5 -7.6 32.0 11 13 A W B -I 32 0B 0 21,-2.5 21,-2.7 -2,-0.3 2,-0.8 -0.957 41.9-137.2-163.4 148.9 20.4 -11.1 33.4 12 14 A R - 0 0 146 -2,-0.3 2,-0.2 19,-0.2 19,-0.1 -0.950 55.4-123.5 -92.4 110.5 22.8 -14.0 33.5 13 15 A Y + 0 0 62 -2,-0.8 2,-0.3 3,-0.0 18,-0.2 -0.372 45.9 157.9 -71.6 129.5 20.1 -16.6 33.3 14 16 A R >> - 0 0 146 -2,-0.2 3,-1.3 1,-0.1 4,-0.7 -0.916 37.1-137.4-142.9 124.2 19.7 -19.4 35.9 15 17 A A G >4 S+ 0 0 58 -2,-0.3 3,-1.5 1,-0.3 6,-0.2 0.865 100.6 49.6 -53.5 -49.6 16.3 -21.0 36.0 16 18 A A G 34 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.758 106.6 57.7 -61.3 -26.3 15.9 -21.1 39.8 17 19 A D G <4 S+ 0 0 58 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.610 109.8 44.6 -80.2 -13.3 16.9 -17.4 40.1 18 20 A Y X< + 0 0 10 -3,-1.5 3,-1.9 -4,-0.7 -1,-0.2 -0.633 63.3 168.7-131.5 73.1 14.0 -16.3 37.8 19 21 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.716 74.0 65.9 -61.7 -23.0 10.9 -18.2 38.9 20 22 A W T 3 S+ 0 0 76 -3,-0.1 2,-1.0 2,-0.1 -3,-0.0 0.599 80.8 84.6 -78.5 -13.0 8.7 -15.9 36.7 21 23 A I < + 0 0 13 -3,-1.9 -3,-0.1 -6,-0.2 3,-0.1 -0.825 68.0 150.3 -86.2 105.3 10.3 -17.3 33.6 22 24 A G > - 0 0 44 -2,-1.0 3,-0.7 1,-0.3 2,-0.2 0.085 43.8 -26.4-114.6-140.1 8.2 -20.4 33.2 23 25 A A T 3 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.486 119.9 24.2 -83.6 150.8 6.9 -22.6 30.4 24 26 A G T 3 S+ 0 0 59 -2,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.662 97.1 99.9 73.2 16.3 6.4 -21.4 26.8 25 27 A M X> + 0 0 30 -3,-0.7 3,-2.1 1,-0.1 4,-0.6 -0.084 32.8 139.9-124.1 34.0 9.0 -18.7 27.5 26 28 A G G >4 + 0 0 40 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.771 64.2 66.3 -51.8 -35.3 12.1 -20.1 25.9 27 29 A V G 34 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.819 102.9 48.1 -58.2 -29.2 13.3 -16.8 24.4 28 30 A L G <4 S+ 0 0 0 -3,-2.1 2,-2.1 1,-0.2 -1,-0.3 0.689 86.2 91.6 -85.5 -15.6 13.9 -15.5 27.9 29 31 A A S << S+ 0 0 33 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.334 79.6 61.8 -84.4 59.2 15.8 -18.6 29.1 30 32 A R S S- 0 0 57 -2,-2.1 2,-0.1 -3,-0.1 -16,-0.1 -0.953 96.4 -64.7-166.5 168.7 19.3 -17.3 28.2 31 33 A D - 0 0 81 -2,-0.3 2,-0.4 -18,-0.2 -19,-0.2 -0.417 37.4-169.3 -67.3 139.8 21.6 -14.4 29.1 32 34 A Y B +I 11 0B 16 -21,-2.7 -21,-2.5 -2,-0.1 -1,-0.0 -0.942 20.5 162.3-128.5 110.0 20.6 -10.9 28.2 33 35 A L >> - 0 0 27 -2,-0.4 3,-1.7 -23,-0.2 4,-0.9 -0.685 54.9 -88.4-124.8 171.5 23.5 -8.4 28.6 34 36 A P H >> S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 3,-0.7 0.832 120.4 63.8 -55.9 -34.3 24.2 -4.9 27.3 35 37 A D H 34 S+ 0 0 27 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.820 102.8 50.2 -54.2 -34.2 25.8 -6.2 24.1 36 38 A A H <4 S+ 0 0 19 -3,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.778 113.6 44.2 -78.4 -27.7 22.5 -7.7 23.1 37 39 A L H XX S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.7 3,-0.7 0.837 96.9 72.2 -86.2 -37.7 20.5 -4.5 23.7 38 40 A H H 3X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.3 -1,-0.1 0.806 93.8 51.6 -56.9 -37.6 22.8 -1.9 22.1 39 41 A P H 3> S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.895 110.8 50.7 -66.3 -32.9 22.2 -2.8 18.5 40 42 A L H <> S+ 0 0 22 -3,-0.7 4,-0.9 -4,-0.4 -2,-0.2 0.890 110.9 47.6 -69.4 -39.9 18.5 -2.6 19.0 41 43 A M H <>S+ 0 0 2 -4,-2.0 5,-2.7 1,-0.2 3,-0.4 0.888 109.6 54.4 -66.0 -39.5 18.8 0.8 20.7 42 44 A H H ><5S+ 0 0 110 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.912 105.1 52.5 -59.3 -43.5 21.0 2.0 17.8 43 45 A A H 3<5S+ 0 0 39 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.753 115.0 42.6 -65.7 -24.8 18.4 1.0 15.2 44 46 A Q T 3<5S- 0 0 22 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.334 111.5-121.4-100.3 3.5 15.8 3.1 17.2 45 47 A A T < 5 + 0 0 67 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.827 58.1 154.2 55.3 37.6 18.3 5.9 17.7 46 48 A L < - 0 0 8 -5,-2.7 -1,-0.2 1,-0.1 -42,-0.2 -0.856 30.5-162.6 -95.3 125.9 17.9 5.6 21.5 47 49 A G + 0 0 49 -44,-1.5 2,-0.3 -2,-0.5 -43,-0.2 0.752 64.1 4.2 -83.7 -27.1 21.0 6.9 23.3 48 50 A A E -a 4 0A 10 -45,-1.5 -43,-2.6 -7,-0.1 2,-0.3 -0.980 58.9-148.7-156.5 161.7 20.6 5.3 26.7 49 51 A S E -ac 5 74A 0 24,-2.1 26,-2.2 -2,-0.3 27,-1.1 -0.848 16.9-127.2-130.8 165.3 18.4 3.0 28.8 50 52 A I E - c 0 76A 0 -45,-2.4 -42,-1.8 -2,-0.3 2,-0.5 -0.979 24.8-146.3-115.4 121.5 17.3 2.5 32.4 51 53 A A E -ac 8 77A 1 25,-2.1 27,-2.8 -2,-0.5 2,-0.4 -0.775 15.0-160.1 -95.1 129.6 18.0 -1.0 33.7 52 54 A V E - c 0 78A 0 -44,-3.0 -42,-0.4 -2,-0.5 27,-0.2 -0.850 28.5 -92.7-116.9 139.3 15.4 -2.3 36.2 53 55 A Q - 0 0 0 25,-2.2 3,-0.1 -2,-0.4 -1,-0.1 -0.161 31.6-172.5 -49.7 133.7 15.7 -5.1 38.8 54 56 A A + 0 0 2 -44,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.448 69.2 25.7-109.6 -7.1 14.5 -8.4 37.4 55 57 A R S S- 0 0 51 2,-0.2 2,-1.2 -37,-0.1 -1,-0.2 -0.971 87.2 -98.5-152.4 164.3 14.7 -10.3 40.7 56 58 A A S S+ 0 0 52 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.651 75.0 92.3 -95.6 86.9 14.6 -9.6 44.4 57 59 A G S >> S- 0 0 10 -2,-1.2 3,-1.3 1,-0.1 4,-1.0 -0.959 74.4-118.1-166.5 152.8 18.0 -9.4 45.9 58 60 A R H 3> S+ 0 0 68 -2,-0.3 4,-2.1 1,-0.3 3,-0.3 0.834 112.7 65.6 -61.2 -31.6 20.8 -6.9 46.7 59 61 A D H 3> S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.757 93.8 59.7 -65.7 -22.1 23.0 -8.8 44.3 60 62 A E H <> S+ 0 0 3 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.912 105.2 48.7 -68.8 -42.1 20.7 -7.7 41.5 61 63 A T H X S+ 0 0 0 -4,-1.0 4,-2.6 19,-0.3 5,-0.2 0.948 112.3 47.6 -59.5 -48.1 21.5 -4.1 42.4 62 64 A A H X S+ 0 0 25 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.911 111.9 51.5 -59.0 -44.1 25.2 -4.8 42.5 63 65 A F H X S+ 0 0 31 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.922 112.2 44.2 -58.7 -48.3 24.9 -6.6 39.1 64 66 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.907 112.7 50.8 -68.8 -41.2 23.1 -3.8 37.4 65 67 A L H X S+ 0 0 21 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.855 109.1 52.7 -63.9 -34.2 25.4 -1.1 38.8 66 68 A E H < S+ 0 0 138 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.913 109.9 47.6 -66.4 -42.7 28.4 -3.0 37.6 67 69 A L H < S+ 0 0 36 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.3 49.7 -62.4 -37.2 27.0 -3.2 34.1 68 70 A A H >< S+ 0 0 1 -4,-2.1 3,-1.8 -5,-0.1 6,-0.2 0.702 84.3 106.6 -77.9 -20.0 26.2 0.5 34.2 69 71 A C T 3< S- 0 0 92 -4,-1.2 3,-0.1 -3,-0.3 28,-0.0 -0.422 98.8 -3.4 -68.6 129.9 29.7 1.6 35.4 70 72 A D T 3 S+ 0 0 172 -2,-0.2 2,-0.7 1,-0.1 -1,-0.3 0.561 107.0 114.4 64.8 8.8 31.6 3.2 32.5 71 73 A E X - 0 0 40 -3,-1.8 3,-2.0 3,-0.2 -1,-0.1 -0.853 45.3-173.6-112.8 98.0 28.7 2.5 30.2 72 74 A A T 3 S+ 0 0 88 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.1 0.743 80.4 69.6 -59.3 -25.1 27.2 5.8 29.0 73 75 A R T 3 S+ 0 0 96 1,-0.1 -24,-2.1 -25,-0.1 2,-0.7 0.575 88.9 67.6 -75.2 -8.0 24.4 3.8 27.3 74 76 A I E < +c 49 0A 1 -3,-2.0 -24,-0.2 -6,-0.2 -3,-0.2 -0.918 66.1 179.6-108.9 104.8 23.0 2.8 30.6 75 77 A A E - 0 0 18 -26,-2.2 2,-0.3 -2,-0.7 -25,-0.2 0.789 59.1 -8.9 -79.0 -29.9 21.7 6.1 32.1 76 78 A A E -c 50 0A 0 -27,-1.1 -25,-2.1 208,-0.1 2,-0.4 -0.976 56.6-130.9-159.9 166.4 20.4 4.8 35.4 77 79 A V E -cd 51 100A 0 22,-2.9 24,-2.2 -2,-0.3 25,-1.1 -0.987 4.2-155.7-125.7 135.3 19.5 1.8 37.4 78 80 A V E -cd 52 102A 0 -27,-2.8 -25,-2.2 -2,-0.4 25,-0.3 -0.967 36.4-171.4-104.8 110.5 16.3 1.0 39.3 79 81 A G E - d 0 103A 0 23,-2.8 25,-1.8 -2,-0.6 2,-0.4 -0.117 20.4-111.9 -98.5-170.7 17.6 -1.4 41.9 80 82 A W + 0 0 32 -23,-0.2 2,-0.3 23,-0.2 -19,-0.3 -0.994 35.0 155.7-125.8 134.8 16.3 -3.7 44.6 81 83 A E - 0 0 2 -2,-0.4 2,-1.2 23,-0.2 23,-0.1 -0.958 53.2-100.3-140.9 158.6 16.6 -3.4 48.4 82 84 A D > - 0 0 58 -2,-0.3 3,-1.5 1,-0.2 6,-0.1 -0.726 37.2-166.4 -76.1 101.3 14.5 -4.7 51.3 83 85 A L T 3 S+ 0 0 4 -2,-1.2 42,-0.3 1,-0.3 -1,-0.2 0.620 79.7 62.9 -69.2 -12.2 12.6 -1.5 51.9 84 86 A R T 3 S+ 0 0 87 41,-0.1 -1,-0.3 40,-0.1 38,-0.1 0.554 78.7 107.2 -89.4 -9.6 11.4 -2.9 55.3 85 87 A A X - 0 0 5 -3,-1.5 3,-1.6 1,-0.1 4,-0.2 -0.477 66.8-142.8 -75.4 138.4 14.8 -3.2 56.8 86 88 A P T 3 S+ 0 0 91 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.793 105.1 62.9 -63.5 -26.5 15.9 -0.7 59.5 87 89 A Q T 3> S+ 0 0 91 1,-0.2 4,-2.0 2,-0.1 3,-0.2 0.437 71.9 108.8 -75.6 -2.4 19.3 -1.0 57.9 88 90 A L H <> S+ 0 0 6 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.857 74.0 49.2 -47.7 -51.4 17.9 0.5 54.6 89 91 A A H > S+ 0 0 24 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.924 114.1 43.8 -59.3 -49.3 19.6 3.9 54.8 90 92 A E H 4 S+ 0 0 134 -3,-0.2 4,-0.5 -4,-0.2 -1,-0.2 0.777 113.5 53.6 -68.7 -25.9 23.1 2.5 55.5 91 93 A R H >X S+ 0 0 73 -4,-2.0 3,-0.8 2,-0.2 4,-0.5 0.897 107.5 49.0 -72.1 -41.8 22.7 -0.2 52.9 92 94 A V H >< S+ 0 0 3 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.855 104.1 61.5 -66.0 -33.6 21.8 2.3 50.2 93 95 A A T 3< S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.719 91.1 69.1 -65.6 -22.1 24.8 4.3 51.1 94 96 A E T <4 S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.820 77.2 97.5 -64.2 -32.8 27.0 1.4 50.2 95 97 A W << - 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