==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-NOV-12 4HUZ . COMPND 2 MOLECULE: 2,6-DICHLORO-P-HYDROQUINONE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOBIUM CHLOROPHENOLICUM; . AUTHOR R.P.HAYES,M.S.NISSEN,A.R.GREEN,K.M.LEWIS,L.XUN,C.KANG . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 22.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 33 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 0 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 0 3 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 1 2 0 2 3 1 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 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 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 3 A T 0 0 146 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.1 9.5 43.6 -7.0 2 4 A N + 0 0 101 2,-0.1 2,-0.3 229,-0.1 3,-0.0 -0.169 360.0 64.6-138.1 43.9 12.1 41.8 -4.8 3 5 A H S S- 0 0 30 226,-0.1 233,-0.1 175,-0.1 174,-0.1 -0.887 100.1 -48.3-147.7 178.9 11.5 38.1 -4.8 4 6 A I - 0 0 1 -2,-0.3 226,-0.2 226,-0.1 -2,-0.1 -0.257 52.3-167.4 -58.1 139.7 11.8 35.3 -7.5 5 7 A T - 0 0 30 224,-2.9 2,-0.3 1,-0.3 -1,-0.1 0.749 48.4 -36.0-108.3 -29.4 9.9 36.5 -10.5 6 8 A S E S-A 229 0A 8 223,-0.6 223,-2.7 186,-0.1 -1,-0.3 -0.951 77.8 -53.1-174.4-178.4 9.4 33.6 -12.9 7 9 A L E +A 228 0A 0 193,-2.7 221,-0.3 -2,-0.3 3,-0.1 -0.417 46.3 178.8 -69.9 156.0 10.9 30.4 -14.3 8 10 A H E - 0 0 6 219,-2.5 50,-2.3 1,-0.4 52,-1.1 0.614 51.5 -18.7-125.9 -72.5 14.4 30.8 -15.7 9 11 A H E - b 0 60A 1 218,-0.3 218,-2.4 48,-0.2 -1,-0.4 -0.948 47.6-145.9-137.5 161.7 16.0 27.7 -17.1 10 12 A I E -Ab 226 61A 0 50,-1.2 52,-2.5 -2,-0.3 2,-0.5 -0.949 14.3-150.3-125.1 151.3 15.6 24.0 -16.8 11 13 A T E +Ab 225 62A 2 214,-1.8 213,-1.7 -2,-0.3 214,-1.2 -0.970 17.9 174.9-133.7 120.3 18.5 21.6 -16.9 12 14 A I E -Ab 223 63A 0 50,-2.1 52,-2.1 -2,-0.5 2,-0.6 -0.825 30.0-126.5-127.7 155.3 18.3 18.0 -18.1 13 15 A C E +Ab 222 64A 0 209,-2.8 208,-2.7 -2,-0.3 209,-0.6 -0.934 40.2 170.5-107.4 118.8 20.7 15.1 -18.8 14 16 A T E - b 0 65A 0 50,-1.8 52,-3.6 -2,-0.6 111,-0.1 -0.268 34.8-105.0-116.4-164.9 20.4 13.8 -22.3 15 17 A G S S- 0 0 0 1,-0.3 52,-2.2 50,-0.3 53,-0.4 0.891 81.8 -2.2 -93.0 -86.8 22.2 11.4 -24.7 16 18 A T > - 0 0 38 108,-0.2 4,-1.1 50,-0.2 -1,-0.3 -0.769 61.5-122.4-111.9 156.0 24.3 12.8 -27.5 17 19 A A H >> S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 3,-0.9 0.928 115.4 52.7 -62.7 -45.0 24.9 16.4 -28.4 18 20 A Q H 3> S+ 0 0 38 297,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.790 102.1 62.3 -59.4 -31.5 23.6 15.9 -31.9 19 21 A G H 3> S+ 0 0 11 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.886 107.3 42.8 -57.4 -40.7 20.5 14.4 -30.3 20 22 A D H S+ 0 0 0 -4,-1.1 4,-4.8 -3,-0.9 5,-0.6 0.924 113.0 49.1 -79.7 -46.3 19.7 17.7 -28.7 21 23 A I H X>S+ 0 0 7 -4,-2.2 5,-2.1 1,-0.2 4,-1.5 0.938 111.2 51.5 -53.3 -49.3 20.4 19.9 -31.6 22 24 A D H <5S+ 0 0 68 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.844 122.3 34.1 -56.7 -32.7 18.3 17.7 -33.8 23 25 A F H <>S+ 0 0 1 -4,-1.0 5,-1.8 3,-0.2 4,-0.5 0.895 123.8 35.9 -92.2 -47.3 15.6 18.0 -31.2 24 26 A F H <5S+ 0 0 0 -4,-4.8 6,-2.7 3,-0.2 -3,-0.2 0.883 132.8 24.8 -82.8 -36.0 15.8 21.5 -29.7 25 27 A V T X S- 0 0 28 -2,-0.2 3,-0.6 4,-0.2 -1,-0.3 0.036 84.9 -58.6 -83.9-152.9 14.8 32.2 -27.9 53 55 A E T 3 S+ 0 0 116 1,-0.2 -2,-0.1 -2,-0.1 89,-0.0 0.916 133.0 15.3 -62.3 -48.0 16.9 34.8 -29.7 54 56 A L T 3 S- 0 0 71 226,-0.0 227,-0.3 228,-0.0 -1,-0.2 -0.097 109.6 -96.8-124.9 33.3 18.9 36.2 -26.8 55 57 A G < - 0 0 8 -3,-0.6 225,-0.2 1,-0.2 5,-0.1 0.808 53.7-175.4 61.9 36.8 18.4 33.6 -23.9 56 58 A T > - 0 0 59 1,-0.1 3,-1.3 3,-0.1 4,-0.3 -0.369 35.0 -94.6 -66.5 137.5 15.6 35.3 -22.1 57 59 A P T 3 S+ 0 0 52 0, 0.0 -49,-0.2 0, 0.0 -48,-0.2 -0.235 111.6 37.8 -51.1 134.7 14.5 33.7 -18.7 58 60 A G T 3 S+ 0 0 0 -50,-2.3 98,-3.1 2,-0.1 -50,-0.1 0.413 114.3 57.5 98.5 0.1 11.5 31.3 -19.2 59 61 A T S < S+ 0 0 5 -3,-1.3 2,-0.3 -51,-0.5 -50,-0.1 0.326 74.8 113.0-134.0 -1.4 12.8 30.0 -22.5 60 62 A V E -b 9 0A 0 -52,-1.1 -50,-1.2 -4,-0.3 2,-0.4 -0.627 39.0-175.5 -89.1 134.9 16.2 28.6 -21.7 61 63 A M E -bE 10 50A 0 -11,-2.8 -11,-2.2 -2,-0.3 2,-0.4 -0.988 4.0-168.8-125.0 128.7 16.9 24.9 -21.8 62 64 A T E -bE 11 49A 0 -52,-2.5 -50,-2.1 -2,-0.4 2,-0.3 -0.952 5.4-172.0-122.7 149.5 20.2 23.5 -20.8 63 65 A T E -bE 12 48A 0 -15,-2.0 -15,-2.1 -2,-0.4 -50,-0.2 -0.985 23.1-156.3-141.6 144.9 21.5 20.0 -21.4 64 66 A F E -b 13 0A 14 -52,-2.1 -50,-1.8 -2,-0.3 2,-0.6 -0.952 23.3-144.4-115.3 103.7 24.3 17.7 -20.4 65 67 A P E +b 14 0A 0 0, 0.0 -19,-0.4 0, 0.0 -50,-0.3 -0.619 29.2 171.3 -66.1 118.7 24.6 15.1 -23.1 66 68 A T > + 0 0 2 -52,-3.6 3,-0.6 -2,-0.6 154,-0.4 -0.060 36.8 112.6-128.0 32.3 25.6 12.2 -20.8 67 69 A R T 3 S+ 0 0 104 -52,-2.2 -1,-0.1 1,-0.2 -51,-0.1 0.798 73.3 65.4 -72.2 -27.3 25.5 9.1 -23.0 68 70 A R T 3 S+ 0 0 63 -53,-0.4 2,-0.4 -3,-0.2 -1,-0.2 0.591 90.9 69.2 -78.9 -12.1 29.3 8.7 -22.7 69 71 A T S < S- 0 0 25 -3,-0.6 151,-0.1 2,-0.2 -3,-0.0 -0.799 92.1-127.1 -88.9 148.1 29.1 8.1 -19.0 70 72 A G S S+ 0 0 78 -2,-0.4 -1,-0.1 149,-0.0 149,-0.0 0.800 73.2 118.9 -65.1 -26.1 27.5 4.7 -18.4 71 73 A Q - 0 0 117 147,-0.1 149,-2.0 1,-0.1 2,-0.5 -0.126 40.6-175.8 -50.7 119.2 25.0 6.3 -16.0 72 74 A K B -r 220 0B 133 147,-0.2 149,-0.1 149,-0.1 -1,-0.1 -0.974 21.6-134.5-118.7 119.3 21.4 6.0 -17.0 73 75 A G - 0 0 14 147,-1.3 2,-0.6 -2,-0.5 145,-0.0 -0.254 9.8-123.4 -75.8 157.3 19.0 7.8 -14.7 74 76 A R - 0 0 93 139,-0.0 141,-2.2 -2,-0.0 2,-0.1 -0.885 15.6-135.3-105.7 117.4 15.7 6.5 -13.2 75 77 A K + 0 0 85 -2,-0.6 2,-0.3 139,-0.2 6,-0.1 -0.434 52.4 127.5 -60.4 143.6 12.5 8.4 -13.8 76 78 A G - 0 0 2 4,-0.1 137,-0.3 139,-0.1 3,-0.3 -0.875 61.5 -60.0-176.7-155.1 10.7 8.5 -10.5 77 79 A S S S+ 0 0 0 135,-1.9 2,-0.3 -2,-0.3 136,-0.2 0.503 102.9 60.1-107.7 -9.4 9.0 10.6 -7.9 78 80 A N S S+ 0 0 15 85,-0.2 2,-0.3 134,-0.1 -1,-0.2 -0.433 97.6 59.4-114.4 64.5 11.2 13.3 -6.3 79 81 A Q E S-F 162 0A 8 83,-0.9 83,-2.6 -2,-0.3 2,-0.4 -0.974 94.7 -69.7-164.0 169.6 12.1 15.3 -9.4 80 82 A F E +FG 161 223A 3 143,-0.5 143,-0.6 -2,-0.3 81,-0.3 -0.670 45.1 177.4 -71.9 133.6 10.8 17.3 -12.4 81 83 A T E + 0 0 19 79,-2.9 47,-0.6 -2,-0.4 2,-0.4 0.675 57.0 29.0-114.3 -27.2 9.1 14.9 -14.7 82 84 A V E -Fh 160 128A 21 78,-1.3 78,-2.1 45,-0.1 2,-0.5 -0.979 56.2-155.1-144.2 128.2 7.7 17.0 -17.6 83 85 A C E -Fh 159 129A 0 45,-2.1 47,-1.7 -2,-0.4 2,-0.6 -0.904 19.1-155.8-102.7 127.8 8.7 20.2 -19.3 84 86 A T E -Fh 158 130A 0 74,-2.2 73,-3.9 -2,-0.5 74,-1.1 -0.882 4.1-158.3-116.2 114.5 5.9 22.1 -21.1 85 87 A Y E -Fh 156 131A 0 45,-3.0 47,-2.3 -2,-0.6 2,-0.6 -0.595 19.6-126.1 -83.3 146.6 6.2 24.6 -24.0 86 88 A A E + h 0 132A 0 69,-3.0 68,-3.0 -2,-0.2 47,-0.2 -0.834 30.7 178.8 -93.2 120.3 3.6 27.2 -24.8 87 89 A I E - h 0 133A 0 45,-2.6 47,-2.2 -2,-0.6 66,-0.2 -0.761 37.0 -89.3-111.9 162.7 2.3 27.2 -28.4 88 90 A P > - 0 0 22 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.295 53.0 -88.6 -71.8 161.0 -0.3 29.5 -29.9 89 91 A K T 3 S+ 0 0 140 1,-0.2 26,-0.0 45,-0.2 43,-0.0 -0.494 114.7 25.0 -71.8 132.5 -4.0 28.4 -29.8 90 92 A G T 3 S+ 0 0 48 -2,-0.2 4,-0.3 -3,-0.1 3,-0.3 0.308 96.7 100.5 98.1 -4.8 -5.0 26.3 -32.8 91 93 A S <> + 0 0 5 -3,-1.6 4,-2.0 1,-0.2 5,-0.2 0.502 47.1 95.2 -93.6 -1.8 -1.5 25.2 -33.4 92 94 A L H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.879 83.8 49.6 -59.7 -43.4 -1.7 21.7 -31.8 93 95 A E H > S+ 0 0 99 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.886 108.2 52.7 -67.2 -40.6 -2.3 19.8 -35.0 94 96 A W H > S+ 0 0 63 -4,-0.3 4,-4.1 2,-0.2 5,-0.3 0.946 113.0 46.1 -56.0 -47.3 0.5 21.4 -36.9 95 97 A W H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.3 5,-0.3 0.933 110.7 50.1 -61.7 -49.7 2.8 20.4 -34.0 96 98 A I H X S+ 0 0 40 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.914 116.8 46.7 -52.6 -42.2 1.4 16.8 -33.9 97 99 A G H X S+ 0 0 37 -4,-2.9 4,-2.7 2,-0.2 -2,-0.3 0.969 113.0 43.0 -61.1 -60.7 2.1 17.0 -37.6 98 100 A H H < S+ 0 0 66 -4,-4.1 4,-0.2 1,-0.2 -1,-0.2 0.587 117.1 51.3 -73.1 -5.0 5.6 18.4 -37.6 99 101 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 -5,-0.3 3,-0.4 0.846 110.9 44.1 -89.7 -49.2 6.5 16.0 -34.7 100 102 A N H ><5S+ 0 0 82 -4,-2.3 3,-2.4 -5,-0.3 -2,-0.2 0.902 107.8 61.0 -59.7 -43.0 5.2 12.9 -36.3 101 103 A A T 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 104.5 50.4 -51.1 -33.4 6.9 14.0 -39.5 102 104 A H T 3 5S- 0 0 82 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.404 122.8-106.8 -91.7 2.6 10.1 13.8 -37.5 103 105 A G T < 5S+ 0 0 68 -3,-2.4 2,-0.7 1,-0.3 -3,-0.2 0.456 74.9 138.0 91.3 0.6 9.5 10.3 -36.2 104 106 A I < - 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