==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-JUN-13 4LBH . COMPND 2 MOLECULE: 5-CHLORO-2-HYDROXYHYDROQUINONE DEHYDROCHLORINASE . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR R.P.HAYES,K.M.LEWIS,L.XUN,C.KANG . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 29.8 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 . 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 1 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 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 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 1 A M 0 0 95 0, 0.0 61,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.7 -28.6 26.2 -16.3 2 2 A L E -AB 61 91A 24 89,-0.7 89,-2.5 59,-0.2 2,-0.4 -0.887 360.0-167.3-111.4 146.3 -26.7 29.4 -15.7 3 3 A F E -AB 60 90A 0 57,-2.3 57,-2.2 -2,-0.4 2,-0.4 -0.992 18.4-137.8-132.4 135.9 -25.0 30.4 -12.4 4 4 A L E -AB 59 89A 39 85,-3.1 85,-1.8 -2,-0.4 2,-0.5 -0.770 21.2-167.0 -81.9 134.6 -23.4 33.6 -11.2 5 5 A I E +AB 58 88A 1 53,-2.8 53,-2.1 -2,-0.4 2,-0.5 -0.933 8.1 179.1-129.9 108.9 -20.2 32.9 -9.4 6 6 A Y E +AB 57 87A 75 81,-2.9 81,-3.1 -2,-0.5 2,-0.4 -0.930 2.0 174.6-114.9 126.1 -18.8 35.9 -7.4 7 7 A R E -AB 56 86A 2 49,-2.6 49,-3.4 -2,-0.5 2,-0.4 -0.980 12.6-158.9-141.0 123.7 -15.6 35.5 -5.4 8 8 A K E -AB 55 85A 79 77,-2.0 76,-2.9 -2,-0.4 77,-1.5 -0.881 22.4-117.5-111.0 131.1 -13.8 38.4 -3.5 9 9 A D E - B 0 83A 19 45,-2.4 74,-0.3 -2,-0.4 3,-0.1 -0.324 29.4-108.4 -65.9 142.4 -10.1 38.3 -2.6 10 10 A R > - 0 0 117 72,-3.1 3,-1.3 71,-0.1 -1,-0.1 -0.300 49.2 -87.6 -56.1 148.9 -9.0 38.3 1.0 11 11 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 43,-0.0 -0.312 111.9 16.6 -58.4 145.3 -7.4 41.6 2.1 12 12 A G T 3 S+ 0 0 91 1,-0.1 3,-0.3 -3,-0.1 4,-0.1 0.541 97.8 105.9 72.7 9.1 -3.6 41.8 1.5 13 13 A S X> + 0 0 9 -3,-1.3 4,-1.7 1,-0.2 3,-0.6 0.164 29.2 114.6-112.5 17.2 -3.7 38.9 -0.9 14 14 A L H 3> S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 79.3 55.4 -51.8 -41.7 -3.3 40.6 -4.3 15 15 A Q H 3> S+ 0 0 116 -3,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.834 101.9 56.5 -65.8 -30.4 0.1 38.9 -4.7 16 16 A V H <> S+ 0 0 38 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.919 108.0 48.7 -62.2 -42.5 -1.5 35.5 -4.2 17 17 A R H X S+ 0 0 2 -4,-1.7 4,-0.6 2,-0.2 3,-0.4 0.952 113.7 46.2 -60.4 -48.4 -3.8 36.3 -7.1 18 18 A I H >< S+ 0 0 58 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.913 110.9 52.2 -61.5 -43.0 -0.8 37.3 -9.2 19 19 A D H 3< S+ 0 0 110 -4,-3.1 -1,-0.2 1,-0.2 4,-0.2 0.787 119.5 34.9 -63.1 -30.6 1.2 34.2 -8.2 20 20 A N H 3X S+ 0 0 44 -4,-1.5 4,-2.3 -3,-0.4 -1,-0.2 0.317 89.4 100.2-107.6 8.4 -1.7 31.9 -9.2 21 21 A Y H S+ 0 0 82 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.892 114.1 48.3 -59.4 -41.5 -1.4 31.8 -15.0 23 23 A A H > S+ 0 0 48 2,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.878 110.3 52.5 -65.0 -39.1 -2.5 28.5 -13.3 24 24 A H H X S+ 0 0 11 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.933 110.8 46.2 -62.7 -46.2 -6.1 29.9 -12.9 25 25 A L H X S+ 0 0 65 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.855 110.9 53.0 -67.0 -34.3 -6.3 30.9 -16.6 26 26 A A H < S+ 0 0 65 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.849 108.4 51.8 -64.8 -35.4 -4.9 27.4 -17.6 27 27 A Y H < S+ 0 0 50 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 112.6 44.7 -67.9 -36.6 -7.6 25.9 -15.5 28 28 A L H >X S+ 0 0 18 -4,-1.7 3,-1.5 1,-0.2 4,-0.5 0.738 93.0 82.7 -80.7 -27.2 -10.3 27.9 -17.2 29 29 A E G >< S+ 0 0 103 -4,-1.6 3,-1.5 1,-0.3 4,-0.2 0.897 93.4 42.3 -50.6 -53.6 -9.1 27.4 -20.8 30 30 A P G 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.641 116.7 52.1 -71.7 -6.6 -10.6 24.0 -21.5 31 31 A L G X4 S+ 0 0 51 -3,-1.5 3,-2.3 -4,-0.2 4,-0.5 0.379 76.1 108.0-102.1 0.6 -13.8 25.2 -19.8 32 32 A K G X< + 0 0 115 -3,-1.5 3,-1.0 -4,-0.5 -1,-0.1 0.737 67.2 64.1 -56.9 -30.9 -14.2 28.4 -21.8 33 33 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.681 103.8 49.5 -69.4 -16.6 -17.2 27.2 -23.9 34 34 A K G < S+ 0 0 54 -3,-2.3 27,-2.7 26,-0.1 2,-0.7 0.531 92.5 88.7 -96.5 -10.2 -19.3 27.1 -20.7 35 35 A I E < +C 60 0A 33 -3,-1.0 25,-0.2 -4,-0.5 3,-0.1 -0.812 48.4 177.6 -93.9 116.7 -18.3 30.6 -19.5 36 36 A Q E S+ 0 0 86 23,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.894 71.6 2.8 -81.1 -43.7 -20.6 33.2 -20.9 37 37 A V E S+C 59 0A 76 22,-1.1 22,-2.5 2,-0.0 -1,-0.3 -0.989 73.7 160.7-144.8 140.7 -19.1 36.3 -19.2 38 38 A G E +C 58 0A 49 -2,-0.3 20,-0.2 20,-0.2 18,-0.0 -0.952 6.9 119.0-167.5 148.6 -16.1 36.6 -16.9 39 39 A G E -C 57 0A 35 18,-2.2 18,-2.5 -2,-0.3 2,-0.2 -0.932 52.9 -67.3 168.8 170.8 -13.5 38.9 -15.5 40 40 A P E -C 56 0A 52 0, 0.0 16,-0.3 0, 0.0 2,-0.2 -0.513 38.4-124.2 -79.8 144.5 -12.0 40.5 -12.4 41 41 A T E -C 55 0A 34 14,-1.2 13,-2.7 -34,-0.2 14,-0.8 -0.562 34.0-141.2 -73.9 155.6 -13.7 42.8 -10.0 42 42 A L E -C 53 0A 82 11,-0.3 11,-0.2 -2,-0.2 3,-0.1 -0.879 7.7-142.7-126.7 153.1 -11.6 46.0 -9.6 43 43 A G - 0 0 36 9,-2.1 -1,-0.1 -2,-0.3 9,-0.1 0.253 51.6 -16.7 -95.5-144.7 -10.9 48.3 -6.7 44 44 A A S S+ 0 0 95 2,-0.1 3,-0.4 0, 0.0 -1,-0.2 -0.131 103.3 8.4 -60.4 154.5 -10.5 52.0 -6.1 45 45 A G S S- 0 0 73 1,-0.2 -3,-0.0 -3,-0.1 7,-0.0 -0.351 97.9 -66.6 81.1-156.3 -9.9 54.5 -8.9 46 46 A T S S+ 0 0 141 -2,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.321 81.9 127.1-119.9 2.7 -10.1 54.0 -12.7 47 47 A G - 0 0 27 -3,-0.4 -4,-0.1 1,-0.1 0, 0.0 -0.303 36.1-171.1 -67.2 146.6 -7.2 51.6 -13.3 48 48 A T + 0 0 113 -6,-0.1 -1,-0.1 5,-0.0 2,-0.1 -0.053 46.3 115.6-126.1 33.3 -7.8 48.4 -15.2 49 49 A D S > S- 0 0 107 1,-0.1 3,-1.7 4,-0.0 4,-0.3 -0.359 84.6 -91.9 -94.8 176.9 -4.3 46.7 -14.6 50 50 A D G > S+ 0 0 94 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.888 124.7 61.0 -54.2 -38.5 -3.4 43.6 -12.8 51 51 A K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -9,-0.0 -37,-0.1 0.660 98.3 58.9 -67.3 -14.0 -2.8 45.7 -9.6 52 52 A D G < S+ 0 0 28 -3,-1.7 -9,-2.1 -9,-0.1 -1,-0.3 0.513 78.2 115.3 -90.4 -8.0 -6.4 46.8 -9.7 53 53 A M E < + C 0 42A 9 -3,-1.8 -11,-0.3 -4,-0.3 -36,-0.1 -0.408 27.3 162.5 -71.1 137.9 -7.9 43.3 -9.4 54 54 A T E - 0 0 38 -13,-2.7 -45,-2.4 1,-0.3 2,-0.3 0.387 61.2 -19.9-133.5 -0.8 -9.8 42.4 -6.2 55 55 A G E -AC 8 41A 0 -14,-0.8 -14,-1.2 -47,-0.3 2,-0.4 -0.976 64.2 -94.5 172.4-175.6 -11.9 39.3 -7.1 56 56 A S E -AC 7 40A 9 -49,-3.4 -49,-2.6 -16,-0.3 2,-0.4 -0.987 24.6-173.9-133.6 135.4 -13.4 37.1 -9.8 57 57 A F E +AC 6 39A 62 -18,-2.5 -18,-2.2 -2,-0.4 2,-0.3 -0.998 11.8 166.0-131.6 135.2 -16.8 37.1 -11.4 58 58 A L E -AC 5 38A 11 -53,-2.1 -53,-2.8 -2,-0.4 2,-0.5 -0.979 29.0-150.3-141.5 149.1 -18.1 34.6 -13.9 59 59 A I E +AC 4 37A 14 -22,-2.5 -23,-2.8 -2,-0.3 -22,-1.1 -0.993 35.4 176.2-116.6 120.5 -21.4 33.5 -15.4 60 60 A M E -AC 3 35A 2 -57,-2.2 -57,-2.3 -2,-0.5 2,-0.4 -0.912 31.3-124.6-131.2 145.9 -21.2 29.8 -16.3 61 61 A E E +A 2 0A 77 -27,-2.7 2,-0.3 -2,-0.3 -59,-0.2 -0.776 39.3 161.0 -85.2 134.3 -23.4 27.0 -17.7 62 62 A A - 0 0 4 -61,-2.4 3,-0.1 -2,-0.4 -2,-0.0 -0.989 42.8-136.8-151.7 155.0 -23.6 23.9 -15.5 63 63 A E S S+ 0 0 153 -2,-0.3 2,-0.3 1,-0.2 -61,-0.1 0.618 86.0 0.7 -84.8 -15.8 -26.0 20.9 -15.2 64 64 A S S > S- 0 0 34 -63,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.987 70.8-104.1-163.9 157.8 -26.1 21.0 -11.4 65 65 A W H > S+ 0 0 137 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.810 119.7 63.9 -54.2 -32.3 -24.8 22.7 -8.3 66 66 A D H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 102.5 46.7 -61.2 -41.7 -22.5 19.6 -8.0 67 67 A E H > S+ 0 0 60 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.906 112.5 49.8 -66.6 -41.3 -20.8 20.7 -11.2 68 68 A V H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.934 109.4 52.7 -61.9 -44.2 -20.5 24.2 -10.0 69 69 A H H X S+ 0 0 114 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.936 109.9 46.9 -57.3 -49.6 -19.1 23.0 -6.7 70 70 A S H X S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.887 110.7 53.1 -60.6 -38.7 -16.4 21.0 -8.5 71 71 A F H < S+ 0 0 11 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.943 114.4 41.3 -62.0 -47.5 -15.6 23.9 -10.7 72 72 A V H >< S+ 0 0 9 -4,-2.6 3,-1.1 1,-0.2 6,-0.3 0.938 115.1 50.0 -65.0 -47.3 -15.1 26.2 -7.7 73 73 A E H 3< S+ 0 0 89 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.813 110.2 49.4 -65.5 -31.4 -13.2 23.6 -5.5 74 74 A N T 3< S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.501 82.4 116.2 -87.3 -4.5 -10.7 22.7 -8.2 75 75 A D X> - 0 0 0 -3,-1.1 4,-2.4 -4,-0.5 3,-0.6 -0.472 69.6-133.5 -66.8 128.1 -9.7 26.3 -9.1 76 76 A P H 3> S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.851 109.1 58.1 -44.3 -38.6 -6.1 27.1 -8.3 77 77 A F H 34>S+ 0 0 0 2,-0.2 5,-2.2 1,-0.2 4,-0.3 0.890 107.3 45.4 -62.9 -42.4 -7.4 30.3 -6.8 78 78 A T H X45S+ 0 0 36 -3,-0.6 3,-1.3 -6,-0.3 -1,-0.2 0.925 113.0 49.1 -66.2 -45.3 -9.6 28.3 -4.4 79 79 A K H 3<5S+ 0 0 152 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.814 107.4 56.8 -64.6 -29.8 -6.8 25.9 -3.5 80 80 A A T 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.572 111.6-122.5 -75.9 -10.7 -4.5 28.9 -2.9 81 81 A G T < 5 + 0 0 35 -3,-1.3 -3,-0.2 -4,-0.3 -71,-0.1 0.838 61.2 147.6 71.3 35.1 -7.0 30.3 -0.3 82 82 A L < + 0 0 0 -5,-2.2 -72,-3.1 -6,-0.1 2,-0.3 0.807 41.8 80.1 -70.1 -31.8 -7.3 33.5 -2.2 83 83 A F E -B 9 0A 31 -6,-0.3 -74,-0.3 -74,-0.3 3,-0.1 -0.619 40.9-179.6-101.7 141.1 -11.0 34.3 -1.4 84 84 A A E S+ 0 0 70 -76,-2.9 2,-0.4 -2,-0.3 -75,-0.2 0.656 82.6 28.8 -93.7 -26.0 -12.7 35.8 1.6 85 85 A A E -B 8 0A 39 -77,-1.5 -77,-2.0 2,-0.0 2,-0.4 -0.997 57.5-175.7-142.0 143.1 -16.2 35.5 0.1 86 86 A T E -B 7 0A 74 -2,-0.4 2,-0.4 -79,-0.2 -79,-0.2 -0.992 6.5-178.7-138.4 126.2 -17.9 33.3 -2.4 87 87 A I E -B 6 0A 83 -81,-3.1 -81,-2.9 -2,-0.4 2,-0.4 -0.991 1.5-175.6-128.0 126.9 -21.5 33.8 -3.7 88 88 A V E +B 5 0A 30 -2,-0.4 2,-0.3 -83,-0.2 -83,-0.2 -0.970 6.8 172.2-122.8 134.7 -23.2 31.5 -6.1 89 89 A E E -B 4 0A 109 -85,-1.8 -85,-3.1 -2,-0.4 2,-0.1 -0.997 33.7-122.8-139.1 137.4 -26.7 32.0 -7.6 90 90 A R E +B 3 0A 167 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.3 -0.497 47.7 171.7 -69.9 149.1 -28.8 30.3 -10.3 91 91 A W E -B 2 0A 89 -89,-2.5 -89,-0.7 -2,-0.1 2,-0.3 -0.990 25.7-161.3-158.6 156.6 -29.6 33.0 -12.9 92 92 A K - 0 0 167 -2,-0.3 2,-0.1 -91,-0.1 -2,-0.0 -0.987 35.8 -95.7-142.8 156.4 -31.1 33.7 -16.3 93 93 A H 0 0 106 -2,-0.3 -91,-0.0 1,-0.1 -2,-0.0 -0.473 360.0 360.0 -64.3 139.4 -31.0 36.5 -18.9 94 94 A G 0 0 124 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.211 360.0 360.0 -63.9 360.0 -34.0 38.9 -18.5