==== 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 4LBP . 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 . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 64.3 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 28.6 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 X 0 0 112 0, 0.0 61,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.6 -28.6 26.4 -16.9 2 2 A L E -AB 61 91A 18 89,-0.8 89,-2.2 59,-0.2 2,-0.4 -0.786 360.0-166.4-114.1 148.2 -26.5 29.4 -15.8 3 3 A F E -AB 60 90A 0 57,-2.1 57,-2.5 -2,-0.3 2,-0.4 -0.995 17.9-137.8-130.6 137.8 -24.9 30.3 -12.5 4 4 A L E -AB 59 89A 39 85,-2.9 85,-1.9 -2,-0.4 2,-0.5 -0.784 21.6-167.1 -82.2 133.6 -23.4 33.6 -11.3 5 5 A I E +AB 58 88A 1 53,-2.7 53,-2.3 -2,-0.4 2,-0.5 -0.953 8.0 179.6-129.9 110.6 -20.1 32.8 -9.4 6 6 A Y E +AB 57 87A 74 81,-2.9 81,-3.0 -2,-0.5 2,-0.4 -0.947 2.6 174.2-116.9 125.3 -18.8 35.8 -7.4 7 7 A R E -AB 56 86A 0 49,-2.6 49,-2.9 -2,-0.5 2,-0.4 -0.981 12.7-159.2-139.7 125.9 -15.6 35.5 -5.4 8 8 A K E -AB 55 85A 75 77,-1.9 76,-3.2 -2,-0.4 77,-1.4 -0.884 22.1-119.1-111.2 130.1 -13.8 38.3 -3.6 9 9 A D E - B 0 83A 19 45,-2.4 74,-0.3 -2,-0.4 3,-0.1 -0.330 29.7-108.3 -65.1 144.9 -10.1 38.2 -2.6 10 10 A R > - 0 0 121 72,-3.2 3,-1.3 71,-0.1 -1,-0.1 -0.282 50.1 -84.5 -60.1 153.1 -9.1 38.4 1.1 11 11 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 43,-0.0 -0.330 112.4 15.9 -59.3 144.6 -7.4 41.7 2.1 12 12 A G T 3 S+ 0 0 91 1,-0.1 3,-0.3 -3,-0.1 4,-0.1 0.545 96.0 108.2 75.4 8.5 -3.7 41.9 1.4 13 13 A S X> + 0 0 11 -3,-1.3 4,-1.9 1,-0.2 3,-0.6 0.169 28.2 114.4-110.3 17.9 -3.7 39.0 -0.9 14 14 A L H 3> S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 79.4 55.4 -52.3 -41.6 -3.2 40.6 -4.3 15 15 A Q H 3> S+ 0 0 117 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.842 103.3 54.7 -64.4 -32.1 0.2 38.9 -4.6 16 16 A V H <> S+ 0 0 40 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.925 108.8 48.7 -61.9 -45.6 -1.5 35.5 -4.1 17 17 A R H X S+ 0 0 3 -4,-1.9 4,-0.7 2,-0.2 3,-0.5 0.954 113.5 46.6 -56.7 -51.9 -3.8 36.3 -7.0 18 18 A I H >X S+ 0 0 56 -4,-2.6 3,-1.3 1,-0.2 4,-0.5 0.942 110.7 52.2 -56.2 -49.1 -0.8 37.3 -9.1 19 19 A D H 3< S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.3 4,-0.2 0.775 120.8 33.6 -59.0 -28.9 1.2 34.1 -8.1 20 20 A N H 3X S+ 0 0 43 -4,-1.5 4,-2.3 -3,-0.5 -1,-0.3 0.344 89.9 99.8-110.3 7.3 -1.7 31.9 -9.1 21 21 A Y H S+ 0 0 47 -4,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.849 110.3 52.8 -65.7 -37.6 -2.7 28.6 -13.2 24 24 A H H X S+ 0 0 8 -4,-2.3 4,-1.7 2,-0.2 3,-0.4 0.957 110.6 46.0 -62.0 -50.6 -6.2 30.0 -12.7 25 25 A L H X S+ 0 0 79 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.845 111.2 52.8 -62.7 -33.9 -6.5 30.9 -16.4 26 26 A A H < S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.808 108.0 52.1 -68.9 -30.2 -5.1 27.5 -17.4 27 27 A Y H < S+ 0 0 55 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.817 112.6 44.6 -74.0 -33.2 -7.8 26.0 -15.2 28 28 A L H >< S+ 0 0 22 -4,-1.7 3,-1.6 1,-0.2 4,-0.4 0.752 93.8 83.5 -79.5 -27.8 -10.5 28.0 -16.9 29 29 A E G >< S+ 0 0 125 -4,-1.7 3,-1.3 1,-0.3 4,-0.2 0.857 91.7 43.8 -49.0 -49.2 -9.1 27.3 -20.4 30 30 A P G 3 S+ 0 0 108 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.681 115.1 52.2 -71.6 -13.9 -10.8 23.9 -21.0 31 31 A L G X> S+ 0 0 48 -3,-1.6 3,-2.3 -4,-0.2 4,-0.7 0.348 74.7 109.0 -97.8 2.3 -14.0 25.3 -19.6 32 32 A K G X4 S+ 0 0 152 -3,-1.3 3,-0.7 -4,-0.4 -1,-0.2 0.792 70.2 61.7 -57.3 -32.4 -14.2 28.4 -21.8 33 33 A A G 34 S+ 0 0 93 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.774 106.7 47.1 -62.1 -26.2 -17.1 27.0 -23.8 34 34 A K G <4 S+ 0 0 71 -3,-2.3 27,-3.0 26,-0.1 2,-0.7 0.595 93.4 87.8 -92.7 -12.1 -19.2 27.0 -20.6 35 35 A I E << +C 60 0A 32 -3,-0.7 25,-0.2 -4,-0.7 3,-0.1 -0.798 47.2 176.5 -95.5 115.4 -18.2 30.5 -19.5 36 36 A Q E S+ 0 0 88 23,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.858 73.2 8.4 -83.2 -39.7 -20.5 33.2 -20.9 37 37 A V E S+C 59 0A 73 22,-1.2 22,-2.6 2,-0.0 -1,-0.3 -0.991 73.1 165.0-143.1 140.0 -19.0 36.2 -19.1 38 38 A G E +C 58 0A 53 -2,-0.3 20,-0.2 20,-0.2 18,-0.0 -0.959 9.8 115.8-162.3 145.2 -15.9 36.4 -17.0 39 39 A G E -C 57 0A 36 18,-2.1 18,-2.7 -2,-0.3 2,-0.2 -0.930 52.6 -74.2 170.2 170.3 -13.5 38.9 -15.5 40 40 A P E -C 56 0A 51 0, 0.0 16,-0.3 0, 0.0 2,-0.2 -0.556 37.1-123.5 -84.6 146.0 -12.0 40.4 -12.4 41 41 A T E -C 55 0A 37 14,-1.1 13,-2.6 -34,-0.2 14,-0.8 -0.569 33.9-138.7 -74.6 157.5 -13.7 42.8 -10.0 42 42 A L E -C 53 0A 82 11,-0.2 11,-0.2 -2,-0.2 3,-0.1 -0.870 9.1-144.1-126.4 152.7 -11.6 46.0 -9.6 43 43 A G - 0 0 36 9,-2.0 -1,-0.1 -2,-0.3 9,-0.1 0.302 52.4 -15.3 -96.2-142.4 -10.8 48.2 -6.7 44 44 A A S S+ 0 0 95 2,-0.1 3,-0.4 0, 0.0 -1,-0.2 -0.168 103.4 8.2 -62.0 152.8 -10.3 51.9 -6.1 45 45 A G S S- 0 0 72 1,-0.2 -3,-0.0 -3,-0.1 7,-0.0 -0.375 96.9 -66.5 85.3-156.1 -9.8 54.4 -9.0 46 46 A T S S+ 0 0 142 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.352 83.2 126.2-120.3 -0.5 -10.1 53.9 -12.7 47 47 A G - 0 0 29 -3,-0.4 -4,-0.1 1,-0.1 0, 0.0 -0.272 36.6-172.4 -63.7 146.2 -7.2 51.6 -13.3 48 48 A T + 0 0 107 -6,-0.1 -1,-0.1 5,-0.0 2,-0.1 -0.021 45.0 117.2-127.9 30.5 -7.8 48.3 -15.2 49 49 A D S > S- 0 0 90 1,-0.1 3,-2.0 4,-0.0 4,-0.3 -0.361 83.7 -92.6 -91.8 173.9 -4.4 46.6 -14.7 50 50 A D G > S+ 0 0 84 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.877 124.9 60.8 -50.6 -42.3 -3.4 43.4 -12.9 51 51 A K G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.0 -37,-0.1 0.657 97.8 59.9 -63.4 -14.2 -2.7 45.5 -9.8 52 52 A D G < S+ 0 0 24 -3,-2.0 -9,-2.0 -9,-0.1 -1,-0.3 0.504 77.6 116.2 -92.5 -5.3 -6.4 46.6 -9.7 53 53 A X E < + C 0 42A 16 -3,-1.8 -11,-0.2 -4,-0.3 -36,-0.1 -0.436 27.1 163.5 -71.8 135.7 -7.9 43.1 -9.4 54 54 A T E - 0 0 41 -13,-2.6 -45,-2.4 1,-0.3 2,-0.3 0.336 61.6 -21.1-131.4 1.3 -9.8 42.3 -6.3 55 55 A G E -AC 8 41A 0 -14,-0.8 -14,-1.1 -47,-0.3 2,-0.4 -0.980 63.8 -91.6 170.5-177.3 -11.8 39.2 -7.2 56 56 A S E -AC 7 40A 7 -49,-2.9 -49,-2.6 -2,-0.3 2,-0.4 -0.985 26.0-175.0-129.6 131.4 -13.3 37.0 -9.8 57 57 A F E +AC 6 39A 58 -18,-2.7 -18,-2.1 -2,-0.4 2,-0.3 -0.997 11.1 167.8-127.6 132.2 -16.7 37.0 -11.4 58 58 A L E -AC 5 38A 10 -53,-2.3 -53,-2.7 -2,-0.4 2,-0.5 -0.975 28.7-151.6-136.6 148.5 -18.1 34.5 -13.9 59 59 A I E +AC 4 37A 14 -22,-2.6 -23,-2.6 -2,-0.3 -22,-1.2 -0.995 37.4 175.7-113.9 121.6 -21.4 33.5 -15.5 60 60 A X E -AC 3 35A 2 -57,-2.5 -57,-2.1 -2,-0.5 2,-0.3 -0.958 32.9-123.1-136.4 142.9 -21.1 29.8 -16.3 61 61 A E E +A 2 0A 76 -27,-3.0 2,-0.3 -2,-0.3 -59,-0.2 -0.638 39.3 161.1 -77.5 136.0 -23.2 26.9 -17.6 62 62 A A - 0 0 8 -61,-2.1 3,-0.1 -2,-0.3 -2,-0.0 -0.982 42.0-139.4-153.7 155.6 -23.5 23.9 -15.4 63 63 A E S S+ 0 0 163 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.567 85.5 6.7 -89.2 -10.3 -25.8 20.9 -15.1 64 64 A S > - 0 0 40 -63,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.992 67.0-112.4-166.1 153.0 -25.9 20.9 -11.3 65 65 A W H > S+ 0 0 131 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.811 118.5 62.3 -57.1 -31.4 -24.9 22.7 -8.1 66 66 A D H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 103.2 47.9 -62.9 -39.6 -22.7 19.7 -7.6 67 67 A E H > S+ 0 0 51 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.913 112.4 48.0 -66.4 -43.6 -20.8 20.6 -10.8 68 68 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.928 110.4 53.3 -61.4 -44.2 -20.5 24.3 -9.6 69 69 A H H X S+ 0 0 116 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.917 111.2 44.6 -57.9 -46.4 -19.3 23.1 -6.2 70 70 A S H X S+ 0 0 57 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.902 110.4 55.1 -67.3 -40.0 -16.5 21.0 -7.7 71 71 A F H < S+ 0 0 10 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.895 113.4 41.7 -57.5 -43.5 -15.5 23.7 -10.2 72 72 A V H >< S+ 0 0 17 -4,-2.3 3,-1.2 1,-0.2 6,-0.2 0.940 113.3 52.9 -69.1 -47.0 -15.1 26.1 -7.3 73 73 A E H 3< S+ 0 0 103 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.798 111.2 46.6 -60.6 -30.5 -13.4 23.5 -5.0 74 74 A N T 3< S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.483 81.4 117.7 -94.8 -3.7 -10.8 22.7 -7.7 75 75 A D <> - 0 0 0 -3,-1.2 4,-2.6 -4,-0.5 3,-0.3 -0.441 67.8-133.1 -65.1 131.7 -9.8 26.2 -8.7 76 76 A P H > S+ 0 0 22 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.836 109.6 57.0 -50.7 -35.9 -6.1 27.0 -8.1 77 77 A F H 4>S+ 0 0 0 2,-0.2 5,-2.2 1,-0.2 4,-0.3 0.909 108.5 45.1 -63.3 -43.3 -7.4 30.3 -6.6 78 78 A T H >45S+ 0 0 35 -3,-0.3 3,-1.4 -6,-0.2 -1,-0.2 0.928 112.3 50.6 -66.1 -44.2 -9.5 28.4 -4.1 79 79 A K H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 107.7 54.7 -65.4 -26.7 -6.8 25.9 -3.2 80 80 A A T 3<5S- 0 0 41 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.507 113.3-119.7 -82.3 -6.7 -4.4 28.9 -2.6 81 81 A G T < 5 + 0 0 35 -3,-1.4 -3,-0.2 -4,-0.3 -71,-0.1 0.839 63.0 146.7 71.2 35.6 -6.9 30.4 -0.1 82 82 A L < + 0 0 0 -5,-2.2 -72,-3.2 -6,-0.1 2,-0.2 0.842 42.7 80.4 -71.1 -34.1 -7.3 33.6 -2.1 83 83 A F E +B 9 0A 30 -6,-0.3 -74,-0.3 -74,-0.3 3,-0.1 -0.517 39.8 178.8 -96.6 144.0 -11.0 34.3 -1.3 84 84 A A E S+ 0 0 72 -76,-3.2 2,-0.3 1,-0.3 -75,-0.2 0.602 82.1 29.1 -99.7 -21.6 -12.8 35.9 1.7 85 85 A A E -B 8 0A 38 -77,-1.4 -77,-1.9 2,-0.0 2,-0.4 -0.998 56.5-177.0-144.3 143.2 -16.2 35.6 0.0 86 86 A T E -B 7 0A 71 -2,-0.3 2,-0.4 -79,-0.2 -79,-0.2 -0.985 7.2-179.9-140.6 127.0 -17.9 33.2 -2.5 87 87 A I E -B 6 0A 85 -81,-3.0 -81,-2.9 -2,-0.4 2,-0.4 -0.998 2.4-174.9-131.2 127.8 -21.5 33.8 -3.7 88 88 A V E +B 5 0A 26 -2,-0.4 2,-0.4 -83,-0.2 -83,-0.2 -0.981 6.3 173.1-124.1 136.2 -23.3 31.5 -6.2 89 89 A E E -B 4 0A 107 -85,-1.9 -85,-2.9 -2,-0.4 2,-0.1 -0.996 33.6-122.9-142.0 135.2 -26.7 32.0 -7.7 90 90 A R E +B 3 0A 172 -2,-0.4 2,-0.3 -87,-0.2 -87,-0.2 -0.502 47.9 171.6 -67.2 148.3 -28.8 30.3 -10.4 91 91 A W E -B 2 0A 88 -89,-2.2 -89,-0.8 -2,-0.1 2,-0.3 -0.990 25.3-160.7-159.9 153.9 -29.6 33.0 -13.0 92 92 A K - 0 0 128 -2,-0.3 2,-0.1 -91,-0.1 3,-0.1 -0.983 34.2 -98.2-139.7 155.9 -31.1 33.7 -16.4 93 93 A H - 0 0 93 -2,-0.3 2,-0.1 1,-0.1 -91,-0.0 -0.493 50.7-100.5 -65.7 141.0 -30.9 36.5 -19.0 94 94 A G - 0 0 27 -2,-0.1 4,-0.3 1,-0.1 -1,-0.1 -0.410 32.7-137.1 -60.1 135.5 -33.9 38.8 -18.8 95 95 A K S S+ 0 0 164 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.635 95.7 48.9 -92.4 -11.0 -36.3 37.7 -21.6 96 96 A H S S- 0 0 141 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.445 118.3 -96.2 -62.7-129.4 -37.3 41.0 -22.9 97 97 A N 0 0 139 -2,-0.0 -2,-0.1 -4,-0.0 -4,-0.0 -0.850 360.0 360.0-160.6 135.2 -33.8 42.4 -23.2 98 98 A D 0 0 152 -2,-0.3 -5,-0.0 -4,-0.3 -3,-0.0 -0.015 360.0 360.0-143.9 360.0 -31.5 44.6 -21.0