==== 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/HYDROLASE INHIBITOR 04-JAN-13 4ING . COMPND 2 MOLECULE: METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 699 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 30 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.7 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 4 0 2 2 8 1 2 4 1 4 1 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 6 0 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 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 2 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 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 2 A T 0 0 155 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-101.2 0.2 -5.7 -12.9 2 3 A Q - 0 0 147 1,-0.1 2,-0.0 2,-0.0 322,-0.0 -0.201 360.0-113.5 -47.0 121.4 -2.3 -8.5 -12.5 3 4 A D - 0 0 110 1,-0.1 2,-0.6 321,-0.0 -1,-0.1 -0.280 19.1-146.4 -78.8 146.5 -5.6 -6.7 -13.4 4 5 A L + 0 0 8 74,-0.2 76,-0.8 -3,-0.1 2,-0.3 -0.908 27.5 172.8-108.0 108.9 -8.5 -6.0 -11.0 5 6 A K - 0 0 98 -2,-0.6 3,-0.4 75,-0.2 5,-0.2 -0.842 31.9-123.4-119.9 150.4 -11.9 -6.1 -12.7 6 7 A T S S+ 0 0 52 -2,-0.3 3,-0.1 1,-0.2 75,-0.1 -0.546 81.5 70.8 -76.2 150.9 -15.5 -5.9 -11.6 7 8 A G S S- 0 0 53 -2,-0.2 -1,-0.2 73,-0.1 6,-0.1 0.214 98.6-102.5 131.8 -15.8 -17.6 -8.9 -12.6 8 9 A G S > S+ 0 0 16 -3,-0.4 3,-2.2 72,-0.2 -1,-0.1 0.672 70.5 143.8 72.8 19.7 -16.5 -11.9 -10.6 9 10 A E T 3 + 0 0 142 1,-0.3 4,-0.1 2,-0.2 -3,-0.1 0.864 66.8 64.2 -55.8 -36.5 -14.6 -13.4 -13.5 10 11 A Q T 3 S- 0 0 70 2,-0.3 -1,-0.3 -5,-0.2 3,-0.1 0.545 132.3 -87.5 -69.2 -3.6 -12.0 -14.5 -11.0 11 12 A G S < S+ 0 0 48 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.350 102.7 37.4 119.5 -4.5 -14.7 -16.8 -9.4 12 13 A Y S S- 0 0 19 328,-0.0 2,-0.3 329,-0.0 -2,-0.3 -0.950 80.6-104.9-162.7 163.0 -16.4 -14.5 -6.9 13 14 A L - 0 0 44 -2,-0.3 2,-1.0 324,-0.1 68,-0.1 -0.791 33.7-118.6 -94.7 142.0 -17.4 -10.9 -6.5 14 15 A R - 0 0 4 66,-0.5 69,-1.9 -2,-0.3 68,-1.1 -0.698 31.3-173.1 -83.1 105.8 -15.4 -8.5 -4.3 15 16 A I E -a 83 0A 1 325,-2.7 2,-0.7 -2,-1.0 69,-0.2 -0.844 9.7-157.5 -96.5 106.3 -17.7 -7.2 -1.5 16 17 A A E -a 84 0A 3 67,-3.1 69,-2.8 -2,-0.7 3,-0.3 -0.722 8.3-171.9 -85.5 115.8 -16.1 -4.5 0.6 17 18 A T E + 0 0 2 293,-1.2 -1,-0.1 -2,-0.7 294,-0.1 0.092 68.7 45.1-102.9 24.5 -17.9 -4.5 3.9 18 19 A E E + 0 0 6 2,-0.0 295,-0.4 221,-0.0 2,-0.3 -0.243 67.9 144.2-161.5 72.1 -16.5 -1.5 5.6 19 20 A E E -a 86 0A 6 66,-2.6 68,-1.4 -3,-0.3 2,-0.3 -0.752 29.6-148.3-114.8 153.3 -16.4 1.6 3.5 20 21 A A E +a 87 0A 9 294,-2.6 2,-0.3 -2,-0.3 68,-0.2 -0.839 20.1 170.7-126.8 159.6 -17.0 5.2 4.6 21 22 A F E -a 88 0A 4 66,-0.8 68,-2.5 -2,-0.3 45,-0.2 -0.909 13.9-156.4-143.9 175.7 -18.3 8.7 3.5 22 23 A A - 0 0 6 43,-1.8 2,-0.4 -2,-0.3 3,-0.1 -0.676 15.9-121.0-137.0-164.6 -19.0 11.9 5.3 23 24 A T > - 0 0 18 -2,-0.2 4,-2.4 1,-0.2 5,-0.3 -0.993 16.2-132.1-147.2 134.9 -21.2 14.9 4.8 24 25 A R H > S+ 0 0 107 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.960 108.5 58.6 -52.1 -49.4 -19.9 18.4 4.5 25 26 A E H > S+ 0 0 75 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.863 109.8 41.8 -47.6 -49.5 -22.6 19.4 7.0 26 27 A I H >> S+ 0 0 2 -3,-0.3 4,-1.3 2,-0.2 3,-0.7 0.925 109.6 54.9 -67.4 -42.9 -21.4 17.0 9.7 27 28 A I H 3X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.3 3,-0.3 0.874 104.7 58.5 -59.5 -36.3 -17.7 17.6 9.3 28 29 A D H 3X S+ 0 0 66 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.3 0.839 97.7 57.9 -64.4 -33.1 -18.5 21.3 9.8 29 30 A V H X S+ 0 0 110 -4,-2.0 3,-1.1 2,-0.2 4,-0.7 0.966 110.1 48.4 -57.3 -55.6 -17.2 24.3 15.0 33 34 A M H >X>S+ 0 0 7 -4,-2.8 6,-1.6 1,-0.3 5,-1.4 0.866 108.4 55.4 -58.4 -34.9 -16.7 22.1 18.1 34 35 A I H 3<5S+ 0 0 34 -4,-2.6 -1,-0.3 1,-0.2 3,-0.2 0.836 106.0 53.3 -63.5 -30.5 -12.9 22.3 17.6 35 36 A R H <<5S+ 0 0 184 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.509 114.6 35.6 -89.8 -7.5 -13.1 26.1 17.7 36 37 A D H <<5S- 0 0 88 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.274 110.1-113.7-125.2 3.9 -15.0 26.6 21.0 37 38 A G T <5S+ 0 0 63 -4,-0.7 -3,-0.2 -3,-0.2 -4,-0.1 0.765 83.4 118.5 71.1 31.0 -13.4 23.7 22.8 38 39 A T < + 0 0 65 -5,-1.4 2,-0.2 -6,-0.2 -4,-0.2 0.452 53.0 99.3 -95.1 -7.1 -16.5 21.5 23.2 39 40 A A S S- 0 0 15 -6,-1.6 2,-0.1 -7,-0.1 57,-0.0 -0.575 78.0-124.6 -75.0 141.3 -14.6 18.9 21.1 40 41 A D > - 0 0 36 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.302 33.0 -96.4 -75.0 171.1 -13.0 16.1 23.1 41 42 A K H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.886 122.5 57.4 -58.7 -40.1 -9.3 15.5 22.7 42 43 A G H > S+ 0 0 0 149,-0.4 4,-3.5 2,-0.2 5,-0.2 0.956 106.8 44.9 -52.8 -61.4 -10.0 12.7 20.2 43 44 A M H >>S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 5,-1.3 0.917 112.7 52.2 -50.3 -49.2 -12.0 14.8 17.7 44 45 A V H X5S+ 0 0 71 -4,-2.0 4,-0.7 3,-0.2 5,-0.3 0.949 115.9 42.5 -54.5 -47.2 -9.4 17.6 18.0 45 46 A S H X5S+ 0 0 21 -4,-2.7 4,-0.6 -5,-0.2 -2,-0.2 0.984 125.0 31.9 -60.3 -61.5 -6.7 15.0 17.2 46 47 A L H X5S+ 0 0 12 -4,-3.5 4,-2.4 1,-0.2 3,-0.4 0.992 130.2 28.0 -63.2 -65.4 -8.5 13.1 14.4 47 48 A W H X5S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.3 5,-0.3 0.732 111.4 63.0 -82.4 -22.8 -10.7 15.7 12.6 48 49 A G H XX S+ 0 0 22 -4,-0.6 4,-3.2 -3,-0.4 3,-0.7 0.977 113.8 45.9 -76.8 -69.0 -6.1 16.7 11.2 50 51 A Y H 3< S+ 0 0 16 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.614 121.5 39.2 -50.5 -18.5 -8.3 15.2 8.4 51 52 A A H 3< S+ 0 0 21 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.693 129.1 23.5-110.6 -25.8 -10.0 18.5 7.8 52 53 A Q H << S+ 0 0 107 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.2 0.461 89.7 115.1-120.6 -7.3 -7.3 21.2 8.1 53 54 A S < - 0 0 20 -4,-3.2 -4,-0.1 -6,-0.2 561,-0.0 -0.431 55.3-152.2 -62.9 134.8 -4.2 19.1 7.4 54 55 A P + 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.377 56.9 124.1 -89.7 8.9 -2.5 20.2 4.2 55 56 A S > - 0 0 19 -6,-0.2 4,-2.3 557,-0.1 5,-0.2 -0.200 67.0-126.9 -72.8 156.4 -1.2 16.6 3.7 56 57 A E H > S+ 0 0 136 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.998 107.1 50.2 -65.5 -67.1 -1.9 14.5 0.6 57 58 A R H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.860 116.1 46.2 -33.2 -52.7 -3.3 11.4 2.2 58 59 A A H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.935 110.9 47.7 -60.5 -55.5 -5.7 13.7 4.2 59 60 A T H X S+ 0 0 49 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.872 115.6 48.4 -56.7 -36.8 -6.9 16.0 1.4 60 61 A Q H X S+ 0 0 48 -4,-2.7 4,-2.4 2,-0.2 3,-0.5 0.940 111.2 48.0 -68.1 -51.7 -7.5 12.8 -0.7 61 62 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.892 105.7 61.0 -54.4 -43.2 -9.3 11.1 2.0 62 63 A L H X S+ 0 0 25 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.871 110.5 39.4 -56.4 -38.0 -11.4 14.2 2.5 63 64 A E H X S+ 0 0 97 -4,-1.2 4,-0.8 -3,-0.5 -2,-0.2 0.953 111.5 53.0 -80.1 -52.9 -12.7 14.0 -1.0 64 65 A R H >< S+ 0 0 35 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.945 111.9 50.3 -43.7 -48.2 -13.2 10.4 -1.4 65 66 A L H 3< S+ 0 0 0 -4,-2.6 -43,-1.8 1,-0.3 -1,-0.2 0.889 108.8 50.1 -57.9 -46.2 -15.3 10.6 1.8 66 67 A L H 3< S+ 0 0 64 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.506 97.8 85.4 -76.0 -0.6 -17.4 13.4 0.6 67 68 A D << + 0 0 44 -3,-1.5 -44,-0.0 -4,-0.8 -4,-0.0 -0.875 34.8 162.1-111.4 125.7 -18.3 11.7 -2.7 68 69 A L + 0 0 29 -2,-0.5 -1,-0.1 4,-0.1 56,-0.1 0.099 65.9 61.3-118.5 21.2 -21.1 9.2 -3.1 69 70 A G S > S- 0 0 20 50,-0.0 4,-2.0 3,-0.0 5,-0.1 0.168 107.1 -23.9-115.7-134.7 -21.2 9.5 -6.9 70 71 A E H > S+ 0 0 169 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.851 127.1 54.0 -56.2 -44.7 -19.1 8.9 -10.1 71 72 A R H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 106.6 49.9 -62.0 -46.9 -15.8 9.2 -8.4 72 73 A R H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.964 112.3 49.3 -54.9 -54.3 -16.5 6.6 -5.7 73 74 A I H X S+ 0 0 21 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.879 110.4 50.0 -49.1 -48.5 -17.6 4.2 -8.5 74 75 A A H X S+ 0 0 52 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.961 109.5 50.2 -58.1 -53.0 -14.5 4.9 -10.5 75 76 A D H < S+ 0 0 19 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.835 113.3 48.1 -53.0 -35.8 -12.2 4.2 -7.5 76 77 A M H ><>S+ 0 0 13 -4,-2.1 5,-3.1 -5,-0.2 3,-0.5 0.867 111.3 48.7 -73.3 -37.2 -14.2 0.9 -6.9 77 78 A D H ><5S+ 0 0 64 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.902 104.5 59.5 -70.2 -38.5 -13.9 -0.1 -10.6 78 79 A A T 3<5S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.3 -74,-0.2 0.680 112.7 40.3 -64.1 -16.8 -10.2 0.6 -10.6 79 80 A T T < 5S- 0 0 3 -3,-0.5 -1,-0.3 -4,-0.4 -74,-0.2 0.124 113.2-110.8-120.8 25.6 -9.8 -2.0 -7.8 80 81 A G T < 5 + 0 0 0 -3,-1.7 2,-0.8 -76,-0.8 -66,-0.5 0.736 63.2 156.0 58.3 25.9 -12.2 -4.7 -9.0 81 82 A I < + 0 0 2 -5,-3.1 -1,-0.2 1,-0.2 -66,-0.1 -0.756 19.9 179.9 -91.2 109.6 -14.6 -3.8 -6.1 82 83 A D + 0 0 14 -68,-1.1 2,-0.3 -2,-0.8 -67,-0.2 0.944 64.0 18.8 -77.0 -51.2 -18.1 -4.9 -6.9 83 84 A K E -a 15 0A 44 -69,-1.9 -67,-3.1 -7,-0.1 2,-0.4 -0.929 61.2-162.2-125.0 148.8 -20.1 -3.9 -3.9 84 85 A A E -ab 16 124A 4 39,-2.5 41,-2.9 -2,-0.3 2,-0.8 -0.995 12.6-147.7-131.2 133.6 -19.4 -1.5 -1.0 85 86 A I E - 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