==== 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 4LBI . 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 . 376 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 74.5 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 . 130 34.6 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 . 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 . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 0 0 0 3 1 0 0 0 0 4 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 . 2 2 2 0 0 0 8 4 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 0 0 0 0 0 0 0 0 0 0 1 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 X 0 0 67 0, 0.0 61,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.9 108.5 38.6 35.9 2 2 A L E -AB 61 91A 29 89,-0.6 89,-2.1 59,-0.2 2,-0.4 -0.833 360.0-167.8-100.6 140.8 111.7 39.9 34.2 3 3 A F E -AB 60 90A 0 57,-2.5 57,-2.6 -2,-0.4 2,-0.5 -0.989 20.7-141.7-130.7 133.2 112.1 43.5 33.1 4 4 A L E -AB 59 89A 4 85,-2.9 85,-2.0 -2,-0.4 2,-0.5 -0.772 22.3-166.6 -74.6 130.7 114.6 45.3 30.9 5 5 A I E +AB 58 88A 0 53,-3.1 53,-2.0 -2,-0.5 2,-0.5 -0.938 8.1 179.9-125.7 111.6 115.1 48.8 32.5 6 6 A Y E +AB 57 87A 22 81,-3.3 81,-3.3 -2,-0.5 2,-0.4 -0.935 3.6 171.6-116.9 124.9 116.9 51.2 30.2 7 7 A R E -AB 56 86A 0 49,-1.9 49,-2.8 -2,-0.5 2,-0.4 -0.987 14.1-159.7-140.4 126.0 117.7 54.8 31.3 8 8 A K E -AB 55 85A 43 77,-1.7 76,-2.9 -2,-0.4 77,-1.4 -0.873 23.1-118.2-108.7 137.8 119.8 57.5 29.5 9 9 A D E - B 0 83A 18 45,-2.9 74,-0.3 -2,-0.4 73,-0.1 -0.342 34.4 -99.8 -67.1 149.3 121.3 60.5 31.3 10 10 A R > - 0 0 40 72,-3.3 3,-2.0 71,-0.1 -1,-0.1 -0.489 55.8 -91.1 -60.1 136.1 120.3 64.0 30.3 11 11 A P T 3 S+ 0 0 45 0, 0.0 129,-0.3 0, 0.0 -1,-0.1 -0.282 111.7 14.8 -53.4 133.3 123.1 65.4 28.0 12 12 A G T 3 S+ 0 0 68 127,-0.2 3,-0.3 -3,-0.1 4,-0.1 0.507 93.2 109.5 77.5 4.9 125.8 67.2 30.0 13 13 A S X> + 0 0 17 -3,-2.0 4,-1.7 1,-0.2 3,-0.7 0.074 32.9 120.6 -94.6 24.0 124.6 65.8 33.4 14 14 A L H 3> S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 72.8 55.3 -53.4 -41.2 127.7 63.5 33.9 15 15 A Q H 3> S+ 0 0 117 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.826 102.4 56.1 -66.3 -29.8 128.6 65.3 37.1 16 16 A V H <> S+ 0 0 44 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.911 109.9 47.3 -63.3 -42.8 125.1 64.6 38.5 17 17 A R H X S+ 0 0 1 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.945 113.3 47.5 -58.0 -51.9 125.8 60.9 37.8 18 18 A I H >< S+ 0 0 59 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.922 111.9 49.3 -58.0 -48.2 129.3 61.1 39.5 19 19 A D H 3< S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.790 122.3 33.1 -63.8 -30.3 128.1 62.9 42.6 20 20 A N H 3X S+ 0 0 50 -4,-1.4 4,-2.5 -3,-0.2 -1,-0.2 0.410 85.9 100.9-110.3 -0.5 125.2 60.4 43.1 21 21 A Y H S+ 0 0 76 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.927 111.7 45.9 -62.2 -45.7 127.5 56.0 45.4 23 23 A A H > S+ 0 0 48 1,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.860 112.0 53.2 -65.8 -35.9 123.9 56.6 46.7 24 24 A H H X S+ 0 0 8 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.925 110.5 46.3 -60.6 -46.9 122.6 55.0 43.5 25 25 A L H X S+ 0 0 73 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.855 110.0 52.6 -68.6 -35.4 124.6 51.8 44.2 26 26 A A H < S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 107.3 54.7 -68.6 -30.8 123.6 51.7 47.8 27 27 A Y H < S+ 0 0 53 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.888 109.9 45.8 -64.8 -40.4 120.0 51.9 46.6 28 28 A L H >< S+ 0 0 24 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.772 94.8 81.9 -72.9 -28.8 120.6 48.8 44.4 29 29 A E G >< S+ 0 0 130 -4,-1.5 3,-1.6 1,-0.3 4,-0.2 0.836 86.7 49.5 -50.8 -49.5 122.4 46.8 47.1 30 30 A P G 3 S+ 0 0 107 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.747 114.2 49.1 -63.9 -19.8 119.4 45.4 49.0 31 31 A L G X> S+ 0 0 63 -3,-1.3 3,-2.3 -4,-0.3 4,-0.8 0.278 73.6 119.3-103.9 8.5 117.9 44.3 45.7 32 32 A K G X4 S+ 0 0 139 -3,-1.6 3,-0.9 1,-0.3 -1,-0.2 0.802 71.2 56.3 -37.6 -43.1 121.1 42.6 44.5 33 33 A A G 34 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.666 104.1 51.7 -77.2 -16.3 119.4 39.2 44.3 34 34 A K G <4 S+ 0 0 90 -3,-2.3 27,-2.8 1,-0.0 2,-0.7 0.552 94.4 84.5 -90.9 -12.6 116.6 40.4 42.0 35 35 A I E << +C 60 0A 28 -3,-0.9 25,-0.2 -4,-0.8 3,-0.1 -0.836 48.3 174.6 -99.1 114.0 119.0 41.9 39.5 36 36 A Q E S+ 0 0 92 23,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.850 72.1 12.9 -85.4 -38.7 120.4 39.5 36.9 37 37 A V E S+C 59 0A 18 22,-1.1 22,-2.7 2,-0.0 -1,-0.3 -0.998 70.2 162.2-141.3 139.1 122.4 41.9 34.8 38 38 A G E +C 58 0A 21 -2,-0.3 246,-3.1 20,-0.2 20,-0.2 -0.981 10.6 118.1-158.0 145.3 123.4 45.5 35.4 39 39 A G E -C 57 0A 13 18,-1.9 18,-2.5 -2,-0.3 2,-0.2 -0.885 51.8 -82.4 169.9 167.5 125.8 48.2 34.2 40 40 A P E -C 56 0A 3 0, 0.0 242,-1.5 0, 0.0 16,-0.3 -0.531 34.7-117.5 -90.4 151.9 126.0 51.6 32.6 41 41 A T E -CD 55 281A 0 14,-0.6 13,-2.9 -34,-0.3 14,-0.9 -0.546 35.0-137.9 -76.5 152.5 125.8 52.6 28.9 42 42 A L E -CD 53 280A 2 238,-3.5 238,-0.5 11,-0.2 11,-0.2 -0.874 10.7-144.9-119.7 150.9 129.0 54.2 27.7 43 43 A G - 0 0 7 9,-2.3 -1,-0.1 -2,-0.3 9,-0.1 0.272 49.9 -17.5 -91.9-145.6 129.5 57.2 25.4 44 44 A A S S+ 0 0 50 2,-0.1 3,-0.3 61,-0.1 -1,-0.2 -0.104 104.1 14.9 -59.0 153.4 132.0 58.2 22.7 45 45 A G S S- 0 0 52 61,-0.4 -3,-0.0 1,-0.2 7,-0.0 -0.357 96.2 -74.4 83.9-160.0 135.4 56.5 22.4 46 46 A T S S+ 0 0 112 -2,-0.1 -1,-0.2 145,-0.0 -2,-0.1 0.320 81.9 126.7-121.1 1.1 136.6 53.3 23.9 47 47 A G - 0 0 24 -3,-0.3 -4,-0.1 1,-0.1 0, 0.0 -0.303 37.3-170.3 -60.6 143.6 137.1 54.4 27.5 48 48 A T + 0 0 73 -6,-0.1 2,-0.1 5,-0.0 -1,-0.1 -0.126 47.2 108.8-128.9 36.4 135.3 52.3 30.1 49 49 A D S > S- 0 0 101 1,-0.0 3,-1.4 4,-0.0 4,-0.4 -0.354 86.9 -83.1-103.2-174.6 135.8 54.4 33.2 50 50 A D G > S+ 0 0 84 1,-0.3 3,-1.7 2,-0.2 -32,-0.0 0.882 124.3 58.5 -59.0 -39.8 133.4 56.5 35.3 51 51 A K G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -9,-0.0 -37,-0.1 0.636 99.2 61.5 -70.5 -9.6 133.6 59.5 33.0 52 52 A D G < S+ 0 0 20 -3,-1.4 -9,-2.3 -9,-0.1 -1,-0.3 0.576 76.7 116.2 -88.6 -11.3 132.4 57.4 30.1 53 53 A X E < + C 0 42A 4 -3,-1.7 -11,-0.2 -4,-0.4 -36,-0.1 -0.336 27.6 163.7 -66.0 138.0 129.0 56.5 31.7 54 54 A T E - 0 0 38 -13,-2.9 -45,-2.9 1,-0.3 2,-0.3 0.412 61.2 -15.1-131.2 -4.6 125.9 57.8 29.9 55 55 A G E -AC 8 41A 0 -14,-0.9 -14,-0.6 -47,-0.3 2,-0.4 -0.973 63.5 -98.0-179.5-174.8 123.1 55.8 31.4 56 56 A S E -AC 7 40A 6 -49,-2.8 -49,-1.9 -16,-0.3 2,-0.4 -0.996 24.1-169.9-134.7 130.3 122.0 52.7 33.4 57 57 A F E +AC 6 39A 3 -18,-2.5 -18,-1.9 -2,-0.4 2,-0.3 -0.966 11.2 170.8-120.2 141.0 120.8 49.3 32.2 58 58 A L E -AC 5 38A 7 -53,-2.0 -53,-3.1 -2,-0.4 2,-0.5 -0.999 27.8-155.2-142.8 145.2 119.2 46.6 34.3 59 59 A I E +AC 4 37A 0 -22,-2.7 -23,-2.1 -2,-0.3 -22,-1.1 -0.988 37.0 176.1-111.4 120.0 117.5 43.3 33.9 60 60 A X E -AC 3 35A 8 -57,-2.6 -57,-2.5 -2,-0.5 2,-0.5 -0.946 32.3-128.7-133.0 145.1 115.4 42.8 37.0 61 61 A E E +A 2 0A 63 -27,-2.8 2,-0.3 -2,-0.4 -59,-0.2 -0.750 38.7 159.6 -87.1 128.9 112.9 40.4 38.5 62 62 A A - 0 0 1 -61,-3.2 3,-0.1 -2,-0.5 4,-0.0 -0.974 45.4-129.6-146.6 163.6 109.6 42.0 39.8 63 63 A E S S- 0 0 127 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.598 87.0 -2.4 -88.5 -14.4 106.1 40.9 40.6 64 64 A S > - 0 0 40 -63,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.982 69.1-103.5-166.4 162.7 104.4 43.6 38.6 65 65 A W H > S+ 0 0 38 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.899 120.4 58.6 -59.0 -40.7 104.8 46.7 36.4 66 66 A D H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 104.0 51.2 -60.3 -33.8 103.8 48.8 39.4 67 67 A E H > S+ 0 0 85 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 110.3 48.6 -69.3 -42.4 106.7 47.3 41.4 68 68 A V H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.942 111.9 48.8 -60.1 -47.8 109.1 48.2 38.6 69 69 A H H X S+ 0 0 67 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.851 112.4 48.2 -66.8 -32.7 107.8 51.7 38.4 70 70 A S H X S+ 0 0 67 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.896 110.1 52.7 -72.7 -40.4 108.0 52.1 42.1 71 71 A F H < S+ 0 0 16 -4,-2.7 4,-0.3 2,-0.2 3,-0.3 0.947 112.3 45.4 -52.2 -52.9 111.6 50.8 42.1 72 72 A V H >< S+ 0 0 7 -4,-2.7 3,-1.5 1,-0.2 6,-0.3 0.925 109.3 54.4 -59.9 -48.5 112.6 53.3 39.4 73 73 A E H 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.0 50.7 -59.1 -31.6 110.9 56.3 41.1 74 74 A N T 3< S+ 0 0 82 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.430 81.1 118.2 -90.4 1.7 112.8 55.7 44.4 75 75 A D X> - 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 3,-0.8 -0.523 69.6-133.9 -65.9 126.6 116.2 55.5 42.7 76 76 A P H 3> S+ 0 0 32 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.836 108.6 58.9 -49.2 -34.4 118.5 58.4 43.9 77 77 A F H 34>S+ 0 0 0 2,-0.2 5,-2.0 1,-0.2 6,-0.4 0.893 105.2 48.8 -63.7 -39.5 119.3 58.9 40.2 78 78 A T H X45S+ 0 0 31 -3,-0.8 3,-2.2 -6,-0.3 -1,-0.2 0.965 110.4 48.9 -61.4 -54.4 115.6 59.5 39.4 79 79 A K H 3<5S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.714 106.0 59.1 -61.8 -22.3 115.1 62.0 42.3 80 80 A A T 3<5S- 0 0 42 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.497 111.7-120.5 -82.6 -5.3 118.3 63.9 41.1 81 81 A G T < 5 + 0 0 18 -3,-2.2 -3,-0.2 -4,-0.2 -71,-0.1 0.786 68.6 138.5 69.7 28.9 116.8 64.5 37.7 82 82 A L < + 0 0 0 -5,-2.0 -72,-3.3 -66,-0.1 2,-0.3 0.874 45.1 77.6 -71.3 -38.4 119.6 62.6 36.0 83 83 A F E +B 9 0A 17 -6,-0.4 -74,-0.3 -74,-0.3 3,-0.1 -0.581 39.6 172.6 -92.1 135.0 117.5 60.7 33.4 84 84 A A E S+ 0 0 12 -76,-2.9 289,-2.2 -2,-0.3 2,-0.4 0.570 76.7 36.7-104.7 -19.4 116.0 62.0 30.1 85 85 A A E +BE 8 372A 8 -77,-1.4 -77,-1.7 287,-0.2 2,-0.4 -0.999 60.0 179.3-138.5 136.9 114.9 58.7 28.8 86 86 A T E +BE 7 371A 36 285,-2.9 285,-3.0 -2,-0.4 2,-0.4 -0.990 2.6 178.8-138.9 128.1 113.4 55.7 30.5 87 87 A I E -BE 6 370A 7 -81,-3.3 -81,-3.3 -2,-0.4 2,-0.4 -0.996 3.1-174.5-132.9 128.5 112.3 52.5 28.8 88 88 A V E +B 5 0A 13 281,-2.1 2,-0.4 -2,-0.4 -83,-0.2 -0.963 5.8 179.0-122.4 137.2 110.9 49.4 30.6 89 89 A E E -B 4 0A 11 -85,-2.0 -85,-2.9 -2,-0.4 2,-0.1 -0.984 30.5-126.5-142.3 128.0 110.1 46.1 28.8 90 90 A R E +B 3 0A 4 142,-0.5 142,-3.0 -2,-0.4 2,-0.3 -0.482 49.5 167.7 -62.8 145.7 108.7 42.8 30.1 91 91 A W E -BF 2 231A 5 -89,-2.1 -89,-0.6 140,-0.3 2,-0.3 -0.965 28.4-158.3-160.4 161.8 111.2 40.2 28.8 92 92 A K - 0 0 54 138,-1.7 2,-0.1 -2,-0.3 -2,-0.0 -0.988 35.7 -96.2-150.7 152.0 112.5 36.6 29.0 93 93 A H 0 0 91 -2,-0.3 136,-0.3 136,-0.2 -91,-0.0 -0.454 360.0 360.0 -62.6 141.1 115.7 34.7 28.2 94 94 A G 0 0 85 134,-2.9 -1,-0.1 -2,-0.1 134,-0.1 -0.070 360.0 360.0 -85.1 360.0 115.4 33.1 24.7 95 !* 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 96 1 B X 0 0 68 0, 0.0 61,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.0 99.4 58.4 6.9 97 2 B L E -GH 156 186A 24 89,-0.6 89,-2.7 59,-0.2 2,-0.4 -0.868 360.0-171.2-107.0 140.2 101.5 60.3 9.4 98 3 B F E -GH 155 185A 0 57,-2.3 57,-2.5 -2,-0.4 2,-0.4 -0.988 20.7-141.0-132.6 133.9 104.7 58.9 11.0 99 4 B L E -GH 154 184A 4 85,-3.0 85,-2.1 -2,-0.4 2,-0.5 -0.778 21.3-168.0 -81.8 131.6 107.1 60.0 13.7 100 5 B I E +GH 153 183A 0 53,-3.0 53,-2.0 -2,-0.4 2,-0.5 -0.931 7.8 179.6-125.2 108.9 110.7 59.3 12.7 101 6 B Y E +GH 152 182A 23 81,-3.5 81,-3.4 -2,-0.5 2,-0.4 -0.929 3.5 171.1-115.8 123.5 113.2 59.6 15.5 102 7 B R E -GH 151 181A 1 49,-2.6 49,-2.7 -2,-0.5 2,-0.4 -0.998 13.5-160.5-134.6 136.2 116.9 59.1 15.0 103 8 B K E -GH 150 180A 43 77,-2.0 76,-2.6 -2,-0.4 77,-1.1 -0.955 23.6-116.5-118.4 132.5 119.9 59.7 17.4 104 9 B D E - 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