==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-APR-07 2PKE . COMPND 2 MOLECULE: HALOACID DELAHOGENASE-LIKE FAMILY HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 461 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0.4 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 . 25 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 2 0 0 0 2 2 2 1 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 7 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 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 0 A G 0 0 19 0, 0.0 2,-0.1 0, 0.0 379,-0.0 0.000 360.0 360.0 360.0 131.6 -6.5 40.0 64.0 2 1 A X - 0 0 23 165,-0.1 3,-0.0 150,-0.1 150,-0.0 -0.375 360.0-148.5 -68.3 149.9 -6.8 41.3 60.4 3 2 A T - 0 0 52 168,-0.1 168,-0.1 -2,-0.1 167,-0.1 -0.921 35.6 -73.9-122.9 151.4 -7.0 45.1 59.9 4 3 A P - 0 0 81 0, 0.0 168,-0.2 0, 0.0 2,-0.2 -0.105 47.8-124.7 -53.3 131.3 -8.8 46.9 57.1 5 4 A I - 0 0 14 166,-1.8 2,-0.7 1,-0.1 10,-0.1 -0.480 17.4-121.3 -67.4 138.1 -7.2 46.7 53.6 6 5 A A - 0 0 93 -2,-0.2 2,-0.3 8,-0.1 119,-0.1 -0.780 37.1-142.6 -76.4 115.6 -6.4 49.9 51.8 7 6 A Q - 0 0 72 -2,-0.7 2,-0.4 117,-0.0 7,-0.1 -0.682 5.6-136.8 -92.6 141.0 -8.5 49.5 48.6 8 7 A R > - 0 0 134 -2,-0.3 3,-0.7 115,-0.1 2,-0.1 -0.746 12.1-129.6 -96.3 140.1 -7.2 50.6 45.2 9 8 A D T 3 S+ 0 0 165 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.392 89.6 43.4 -75.4 161.2 -9.4 52.4 42.7 10 9 A G T 3 S+ 0 0 92 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.558 103.7 72.5 80.5 5.4 -9.3 51.0 39.2 11 10 A Q < - 0 0 44 -3,-0.7 -1,-0.1 1,-0.1 218,-0.1 -0.973 60.2-154.1-144.9 156.3 -9.6 47.3 40.2 12 11 A A S S+ 0 0 11 -2,-0.3 2,-0.2 216,-0.2 -1,-0.1 0.893 79.9 64.2 -98.7 -50.8 -12.4 45.1 41.6 13 12 A I + 0 0 0 1,-0.1 165,-0.2 211,-0.1 164,-0.1 -0.530 54.6 170.0 -75.6 135.0 -10.5 42.4 43.5 14 13 A Q + 0 0 9 163,-2.9 111,-2.1 1,-0.3 2,-0.4 0.600 57.9 41.7-117.8 -18.8 -8.5 43.8 46.4 15 14 A L E -ab 125 178A 0 162,-1.7 164,-2.0 109,-0.2 2,-0.5 -0.997 55.5-163.3-141.5 132.5 -7.3 40.8 48.4 16 15 A V E -ab 126 179A 0 109,-2.5 111,-2.1 -2,-0.4 2,-0.3 -0.982 12.8-159.2-119.2 123.3 -5.9 37.4 47.5 17 16 A G E -ab 127 180A 0 162,-3.1 164,-2.6 -2,-0.5 2,-0.4 -0.759 4.9-159.6-100.1 146.8 -5.9 34.7 50.1 18 17 A F E -ab 128 181A 0 109,-2.5 111,-2.5 -2,-0.3 164,-0.2 -0.994 11.9-139.4-125.8 134.9 -3.7 31.6 49.9 19 18 A D - 0 0 10 162,-2.8 111,-0.2 -2,-0.4 5,-0.1 -0.367 16.4-153.4 -69.3 162.4 -3.9 28.2 51.5 20 19 A G >>> + 0 0 0 109,-0.3 4,-2.4 3,-0.2 3,-2.4 0.791 65.8 69.6-101.9 -73.3 -0.6 26.9 52.8 21 20 A D B 345S-f 25 0B 24 1,-0.3 162,-0.3 2,-0.2 5,-0.2 -0.279 122.7 -4.7 -58.9 120.0 -0.4 23.1 53.0 22 21 A D T 345S+ 0 0 15 3,-2.5 -1,-0.3 1,-0.1 4,-0.2 0.558 133.1 63.9 72.7 12.7 -0.3 21.6 49.5 23 22 A T T <45S+ 0 0 4 -3,-2.4 -2,-0.2 2,-0.4 -3,-0.2 0.583 119.4 12.1-123.3 -59.6 -0.8 25.0 47.9 24 23 A L T <5S+ 0 0 0 -4,-2.4 86,-2.2 1,-0.2 2,-0.3 0.748 137.3 9.4 -89.7 -32.3 2.4 27.0 48.9 25 24 A W B > + 0 0 0 -2,-0.2 4,-1.4 80,-0.1 3,-0.9 0.451 60.2 62.9-141.7 -50.2 2.5 18.8 53.3 28 27 A E H 3> S+ 0 0 65 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.837 95.2 65.0 -58.6 -35.6 0.5 15.8 52.3 29 28 A D H 3> S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.891 105.2 46.0 -51.6 -44.1 3.7 13.9 51.3 30 29 A Y H <> S+ 0 0 57 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.820 110.4 51.2 -72.9 -34.2 4.8 14.0 54.9 31 30 A Y H X S+ 0 0 38 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.859 109.2 51.8 -67.9 -37.8 1.4 12.9 56.2 32 31 A R H X S+ 0 0 165 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.871 109.0 50.7 -65.7 -35.3 1.4 10.0 53.7 33 32 A T H X S+ 0 0 74 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.907 108.2 53.0 -64.4 -42.4 4.9 9.0 55.1 34 33 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.887 110.3 47.6 -54.9 -44.2 3.4 9.2 58.6 35 34 A E H X S+ 0 0 82 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.868 111.8 48.6 -70.4 -40.2 0.7 6.8 57.6 36 35 A A H X S+ 0 0 60 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.818 112.1 49.2 -69.9 -33.5 3.1 4.4 55.9 37 36 A D H X S+ 0 0 79 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 110.8 51.3 -70.2 -41.5 5.3 4.4 58.9 38 37 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.958 111.4 46.4 -53.2 -55.3 2.2 3.8 61.1 39 38 A E H X S+ 0 0 49 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.878 109.8 55.3 -56.8 -40.3 1.2 0.8 58.9 40 39 A A H < S+ 0 0 54 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.912 108.6 47.7 -62.5 -43.3 4.8 -0.4 59.1 41 40 A I H >< S+ 0 0 8 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.961 114.3 46.6 -58.7 -49.9 4.7 -0.4 62.9 42 41 A L H >X S+ 0 0 4 -4,-2.6 3,-3.5 1,-0.2 4,-1.8 0.838 93.2 78.7 -60.7 -32.2 1.3 -2.2 62.8 43 42 A S T 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 85.7 62.2 -54.8 -24.8 2.6 -4.8 60.3 44 43 A G T <4 S+ 0 0 67 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.441 114.5 33.0 -76.6 -1.8 4.3 -6.6 63.2 45 44 A Y T <4 S+ 0 0 67 -3,-3.5 2,-0.3 1,-0.3 -2,-0.2 0.619 119.6 41.6-119.1 -29.7 1.0 -7.2 64.8 46 45 A L < 0 0 63 -4,-1.8 -1,-0.3 0, 0.0 37,-0.0 -0.928 360.0 360.0-134.7 145.6 -1.5 -7.7 61.9 47 46 A D 0 0 156 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 -0.499 360.0 360.0 -61.6 360.0 -1.7 -9.4 58.5 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 52 A X 0 0 47 0, 0.0 2,-0.1 0, 0.0 -7,-0.1 0.000 360.0 360.0 360.0 89.3 -3.8 1.5 57.8 50 53 A Q > - 0 0 114 -8,-0.1 3,-1.1 32,-0.0 2,-0.8 0.054 360.0-129.5 -95.0 163.9 -6.0 -0.2 59.0 51 54 A Q T 3 S+ 0 0 100 1,-0.3 4,-0.4 2,-0.2 3,-0.1 -0.095 89.3 97.0 -83.2 36.4 -9.0 2.2 58.5 52 55 A H T 3> S+ 0 0 47 -2,-0.8 4,-2.1 2,-0.1 -1,-0.3 0.389 76.5 79.1 -68.7 -13.8 -10.3 2.0 62.1 53 56 A L H <> S+ 0 0 6 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.841 86.5 47.9 -69.2 -38.4 -8.2 5.2 61.8 54 57 A L H > S+ 0 0 52 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.894 108.9 56.4 -67.7 -40.6 -10.9 7.3 60.0 55 58 A A H > S+ 0 0 61 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.972 114.9 37.5 -49.8 -58.3 -13.4 6.1 62.7 56 59 A V H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.877 115.7 51.1 -64.8 -46.9 -11.1 7.5 65.4 57 60 A E H X S+ 0 0 75 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.904 107.9 54.2 -60.3 -39.6 -9.9 10.6 63.6 58 61 A R H < S+ 0 0 113 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.927 113.5 41.3 -63.0 -45.0 -13.6 11.6 62.8 59 62 A R H < S+ 0 0 113 -4,-1.8 3,-0.4 -5,-0.3 -1,-0.2 0.818 115.9 50.1 -70.5 -30.6 -14.6 11.4 66.5 60 63 A N H >X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 3,-1.7 0.663 90.0 78.0 -83.2 -16.6 -11.4 13.1 67.7 61 64 A L H 3X S+ 0 0 59 -4,-1.6 4,-2.1 1,-0.3 -1,-0.2 0.874 88.1 62.3 -54.5 -35.8 -11.6 16.0 65.3 62 65 A K H 34 S+ 0 0 88 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.627 116.6 26.4 -74.2 -14.3 -14.2 17.4 67.6 63 66 A I H <4 S+ 0 0 16 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.657 133.2 31.5-113.5 -26.8 -11.7 17.7 70.5 64 67 A F H < S- 0 0 8 -4,-3.0 297,-0.2 1,-0.2 -3,-0.2 0.721 85.7-156.0 -96.9 -25.9 -8.3 18.1 68.7 65 68 A G < - 0 0 9 -4,-2.1 -1,-0.2 -5,-0.4 2,-0.1 -0.272 49.4 -30.1 59.8-161.0 -9.3 19.9 65.6 66 69 A Y S S+ 0 0 73 91,-0.4 2,-0.2 4,-0.1 295,-0.1 -0.457 89.8 72.6 -85.2 153.7 -6.9 19.5 62.6 67 70 A G S > S- 0 0 24 65,-0.2 4,-1.7 -2,-0.1 3,-0.2 -0.485 82.4 -72.2 130.4 169.6 -3.1 18.9 62.8 68 71 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.768 117.2 60.6 -65.5 -31.3 -0.3 16.5 63.5 69 72 A K H > S+ 0 0 27 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.957 110.4 39.7 -65.2 -46.7 -0.6 16.5 67.3 70 73 A G H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.851 111.0 60.7 -67.2 -35.9 -4.2 15.1 67.2 71 74 A X H X S+ 0 0 15 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.913 104.6 48.9 -56.0 -46.4 -3.2 12.8 64.4 72 75 A T H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.908 111.6 47.7 -60.8 -45.4 -0.6 11.2 66.7 73 76 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.868 111.6 50.4 -65.1 -38.2 -3.0 10.7 69.5 74 77 A S H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.873 110.1 51.5 -67.2 -36.9 -5.6 9.2 67.1 75 78 A X H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.856 109.0 49.9 -64.2 -39.1 -2.9 6.8 65.8 76 79 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.963 113.4 46.0 -64.5 -48.9 -2.0 5.7 69.3 77 80 A E H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.904 113.3 49.6 -60.1 -44.0 -5.7 5.1 70.0 78 81 A T H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.891 110.2 50.2 -62.6 -43.3 -6.2 3.2 66.7 79 82 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 8,-0.3 0.876 108.2 52.2 -63.7 -40.0 -3.1 1.0 67.2 80 83 A I H <>S+ 0 0 8 -4,-2.3 5,-3.7 2,-0.2 6,-0.3 0.910 115.5 43.0 -63.9 -41.7 -4.2 -0.0 70.7 81 84 A E H ><5S+ 0 0 100 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.935 114.0 48.8 -63.6 -52.9 -7.6 -1.0 69.2 82 85 A L H 3<5S+ 0 0 29 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.857 117.3 40.8 -59.0 -40.3 -6.3 -2.7 66.1 83 86 A T T ><5S- 0 0 7 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.3 0.281 110.5-118.6 -94.1 11.2 -3.8 -4.8 68.1 84 87 A E T < 5S- 0 0 135 -3,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.929 74.5 -54.7 50.4 50.1 -6.3 -5.5 70.9 85 88 A A T 3 > - 0 0 107 1,-0.1 4,-2.0 226,-0.1 3,-0.6 -0.449 11.6-125.1 -67.4 143.3 4.3 -2.8 72.8 89 92 A A H 3> S+ 0 0 0 224,-0.5 4,-2.7 222,-0.4 5,-0.2 0.897 114.5 61.0 -53.7 -38.3 5.1 0.6 74.6 90 93 A R H 3> S+ 0 0 78 221,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.914 105.6 45.5 -55.6 -40.4 8.2 0.6 72.5 91 94 A D H <> S+ 0 0 31 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.850 109.7 53.3 -77.2 -28.8 6.1 0.7 69.3 92 95 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.898 105.4 56.1 -64.6 -39.7 3.8 3.4 70.8 93 96 A Q H X S+ 0 0 52 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.914 105.4 51.9 -48.9 -49.6 7.0 5.3 71.4 94 97 A R H X S+ 0 0 113 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.816 106.7 52.0 -62.1 -34.7 7.6 4.8 67.6 95 98 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.927 106.9 52.9 -67.5 -44.0 4.2 6.3 66.9 96 99 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 108.0 52.6 -56.9 -40.3 4.9 9.3 69.0 97 100 A E H X S+ 0 0 89 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.881 103.2 56.3 -64.2 -39.2 8.2 9.8 66.9 98 101 A I H X S+ 0 0 12 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.929 110.7 45.7 -51.8 -46.9 6.2 9.7 63.7 99 102 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.905 111.0 51.3 -66.7 -42.7 4.2 12.5 65.1 100 103 A R H X S+ 0 0 67 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.882 110.7 49.7 -56.9 -42.1 7.3 14.4 66.3 101 104 A A H >< S+ 0 0 60 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.860 110.9 48.9 -66.3 -37.7 8.8 14.0 62.8 102 105 A T H >< S+ 0 0 6 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.883 104.7 59.3 -72.6 -36.4 5.6 15.3 61.2 103 106 A L H 3< S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.652 116.5 33.2 -66.2 -17.6 5.5 18.3 63.5 104 107 A Q T << S+ 0 0 128 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 -0.137 87.6 155.6-122.5 34.2 9.0 19.3 62.2 105 108 A H < - 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