==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-NOV-12 3ZDS . COMPND 2 MOLECULE: HOMOGENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR J.-H.JEOUNG,M.BOMMER,T.-Y.LIN,H.DOBBEK . 5110 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 180000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3162 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1632 31.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.1 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 . 24 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.1 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 . 571 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 448 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 2.8 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+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 2 10 0 0 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 20 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 . 90 26 51 43 53 24 32 16 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 . 15 0 3 0 9 12 12 12 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 9 A L 0 0 93 0, 0.0 2,-0.3 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0 141.3 -5.2 13.9 -4.1 2 10 A H - 0 0 145 219,-0.1 219,-1.1 158,-0.0 2,-0.3 -0.750 360.0-169.2-104.0 146.9 -5.9 14.8 -7.8 3 11 A Y E -A 220 0A 58 -2,-0.3 2,-0.3 217,-0.2 215,-0.0 -0.953 19.3-134.5-135.3 154.1 -5.3 18.2 -9.3 4 12 A L E -A 219 0A 46 215,-2.9 215,-2.4 -2,-0.3 2,-0.3 -0.741 30.3-138.2-100.1 151.3 -6.1 20.1 -12.5 5 13 A S E +A 218 0A 37 -2,-0.3 213,-0.2 213,-0.2 210,-0.2 -0.896 51.4 74.4-118.6 153.6 -3.2 22.2 -14.1 6 14 A G > - 0 0 0 211,-1.7 3,-2.1 208,-0.8 209,-0.2 0.524 66.8-111.6 113.3 98.5 -2.9 25.6 -15.8 7 15 A F T 3 S+ 0 0 31 207,-1.4 1284,-0.1 1,-0.3 -2,-0.0 -0.311 101.2 6.9 -54.5 126.4 -2.9 29.0 -14.2 8 16 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 251,-0.2 251,-0.0 0.481 92.5 151.8 77.4 10.1 -5.9 31.0 -15.1 9 17 A N < - 0 0 9 -3,-2.1 2,-1.0 1282,-0.1 -1,-0.2 -0.234 57.3-114.3 -67.0 160.7 -7.7 28.2 -17.0 10 18 A E - 0 0 25 1278,-0.1 2,-0.2 1276,-0.1 249,-0.2 -0.844 51.4-166.0 -89.6 96.6 -11.5 27.7 -17.4 11 19 A F E -I 258 0B 16 247,-2.3 247,-2.3 -2,-1.0 2,-0.4 -0.593 15.9-160.8 -89.2 160.5 -11.6 24.5 -15.3 12 20 A A E +I 257 0B 39 245,-0.2 2,-0.4 -2,-0.2 245,-0.2 -0.981 14.7 167.8-143.6 128.6 -14.3 21.9 -15.0 13 21 A S E +I 256 0B 11 243,-2.7 243,-2.7 -2,-0.4 2,-0.4 -0.995 8.2 178.5-145.3 133.6 -14.8 19.3 -12.2 14 22 A E E -I 255 0B 83 -2,-0.4 241,-0.2 241,-0.2 240,-0.1 -0.998 19.0-164.7-135.6 138.6 -17.5 17.0 -11.2 15 23 A A S S+ 0 0 45 239,-2.7 240,-0.1 -2,-0.4 -1,-0.1 0.613 86.7 47.1 -95.0 -10.2 -17.6 14.4 -8.3 16 24 A L S > S- 0 0 33 238,-0.4 3,-2.0 0, 0.0 4,-0.3 -0.962 104.2 -95.0-127.6 140.2 -20.7 12.8 -9.8 17 25 A P T 3 S- 0 0 102 0, 0.0 -2,-0.1 0, 0.0 1262,-0.0 -0.383 108.6 -0.6 -59.2 119.1 -21.1 11.8 -13.4 18 26 A G T 3 S+ 0 0 19 -2,-0.1 4,-0.1 1,-0.1 237,-0.1 0.618 84.8 132.9 76.0 23.4 -23.0 14.6 -15.2 19 27 A A < + 0 0 0 -3,-2.0 236,-0.2 235,-0.1 15,-0.1 0.791 58.5 79.1 -70.6 -29.0 -23.4 16.8 -12.1 20 28 A L S S- 0 0 11 -4,-0.3 5,-0.1 234,-0.1 -6,-0.1 -0.691 94.9-117.3 -79.5 122.7 -22.2 19.7 -14.3 21 29 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 3,-0.3 -0.405 29.0-125.9 -61.4 137.6 -25.0 21.0 -16.6 22 30 A V S S- 0 0 107 1,-0.2 3,-0.1 -4,-0.1 1475,-0.0 -0.824 81.0 -4.7 -94.7 121.9 -24.2 20.5 -20.3 23 31 A G S S+ 0 0 13 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.486 125.4 51.8 80.9 7.2 -24.3 23.6 -22.6 24 32 A Q - 0 0 32 -3,-0.3 -1,-0.1 1,-0.1 1526,-0.0 -0.971 63.8-140.6-161.9 164.1 -25.7 26.0 -20.0 25 33 A N S S+ 0 0 6 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.716 92.7 42.5-101.5 -29.6 -25.1 27.4 -16.4 26 34 A S - 0 0 4 10,-0.1 1145,-1.7 1149,-0.0 1107,-0.3 -0.564 68.1-180.0-124.4 70.2 -28.6 27.7 -15.1 27 35 A P B -N 1170 0C 16 0, 0.0 1143,-0.3 0, 0.0 3,-0.3 -0.329 32.4-130.9 -65.2 152.3 -30.9 24.7 -15.9 28 36 A Q S S+ 0 0 22 1141,-1.3 2,-0.7 1,-0.3 1142,-0.1 0.937 107.6 32.0 -65.5 -43.2 -34.5 24.7 -14.6 29 37 A K S S- 0 0 163 1140,-0.2 -1,-0.3 1196,-0.0 3,-0.1 -0.928 93.7-150.5-115.1 93.4 -34.1 21.1 -13.2 30 38 A A > - 0 0 16 -2,-0.7 3,-2.4 -3,-0.3 4,-0.2 -0.461 31.9 -86.8 -66.8 142.7 -30.4 21.0 -12.2 31 39 A P G > S+ 0 0 7 0, 0.0 3,-1.7 0, 0.0 1248,-0.1 -0.189 114.2 4.3 -51.3 135.0 -28.7 17.6 -12.3 32 40 A Y G 3 S- 0 0 19 1,-0.3 1243,-1.9 1246,-0.1 1247,-0.1 0.560 123.9 -78.8 62.8 12.4 -29.2 15.6 -9.0 33 41 A G G < S+ 0 0 25 -3,-2.4 1240,-0.5 1241,-0.2 -1,-0.3 0.779 86.4 157.6 69.5 25.1 -31.4 18.5 -7.8 34 42 A L < - 0 0 8 -3,-1.7 2,-0.4 -4,-0.2 -4,-0.3 -0.347 41.6-115.9 -75.8 166.4 -28.4 20.6 -7.0 35 43 A Y E -J 58 0B 14 23,-3.3 23,-2.6 -2,-0.1 2,-0.3 -0.872 20.1-135.7-103.8 136.5 -28.5 24.4 -6.7 36 44 A A E +J 57 0B 19 -2,-0.4 1140,-1.0 21,-0.2 2,-0.3 -0.702 27.2 177.3 -88.2 139.8 -26.5 26.6 -9.1 37 45 A E E -Jk 561176B 1 19,-2.1 19,-2.8 -2,-0.3 2,-0.5 -0.958 21.2-140.4-148.0 130.2 -24.6 29.5 -7.5 38 46 A L E -Jk 551177B 0 1138,-2.5 1140,-2.4 -2,-0.3 2,-0.8 -0.796 5.2-161.6 -95.2 122.7 -22.2 32.1 -9.0 39 47 A L E -Jk 541178B 0 15,-3.0 15,-2.2 -2,-0.5 2,-0.9 -0.896 12.6-163.1 -97.5 99.2 -19.1 33.2 -7.2 40 48 A S E +Jk 531179B 2 1138,-3.1 1140,-1.7 -2,-0.8 13,-0.2 -0.808 14.6 175.8 -92.1 101.1 -18.1 36.5 -8.9 41 49 A G + 0 0 13 11,-1.9 2,-0.2 -2,-0.9 12,-0.2 0.662 68.3 28.3 -78.5 -19.4 -14.5 37.2 -7.9 42 50 A T S S- 0 0 10 10,-0.9 1138,-0.3 1,-0.1 1139,-0.2 -0.802 103.6 -73.6-132.9 170.6 -14.3 40.3 -10.1 43 51 A A > - 0 0 1 -2,-0.2 3,-1.5 1,-0.1 9,-0.2 -0.398 47.8-117.6 -62.8 146.3 -16.7 43.0 -11.4 44 52 A F T 3 S+ 0 0 3 1,-0.3 -1,-0.1 -4,-0.1 1108,-0.1 0.809 111.7 55.5 -56.4 -33.6 -18.9 41.5 -14.2 45 53 A T T 3 S+ 0 0 34 1106,-0.4 -1,-0.3 1444,-0.1 1440,-0.1 0.197 76.6 127.4 -90.4 12.9 -17.4 44.0 -16.7 46 54 A M S < S- 0 0 20 -3,-1.5 1438,-0.2 1,-0.1 1105,-0.2 -0.312 75.4 -87.0 -64.1 155.5 -13.7 43.2 -16.3 47 55 A A >> - 0 0 26 1103,-0.4 3,-1.4 1,-0.1 4,-0.7 -0.336 42.7-114.3 -57.3 144.8 -11.6 42.4 -19.5 48 56 A R G >4 S+ 0 0 65 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.835 118.7 58.6 -54.0 -33.8 -12.0 38.6 -20.1 49 57 A S G 34 S+ 0 0 84 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.788 111.2 41.5 -63.4 -30.8 -8.2 38.2 -19.3 50 58 A E G <4 S+ 0 0 42 -3,-1.4 2,-0.3 2,-0.0 -1,-0.2 0.409 90.3 119.5 -94.7 -6.2 -8.8 39.7 -15.8 51 59 A L << - 0 0 13 -3,-0.9 2,-0.4 -4,-0.7 -7,-0.1 -0.504 36.5-178.8 -72.6 131.7 -12.1 37.8 -15.2 52 60 A R + 0 0 28 -2,-0.3 -11,-1.9 -9,-0.2 -10,-0.9 -0.970 22.6 140.3-128.6 111.2 -12.4 35.4 -12.1 53 61 A R E -J 40 0B 5 -2,-0.4 206,-2.2 -13,-0.2 2,-0.4 -0.971 26.7-164.9-155.0 139.0 -15.7 33.6 -11.7 54 62 A T E -JL 39 258B 0 -15,-2.2 -15,-3.0 -2,-0.3 2,-0.5 -0.991 13.4-146.3-130.1 138.3 -16.9 30.1 -10.8 55 63 A W E -JL 38 257B 2 202,-3.0 202,-2.0 -2,-0.4 2,-0.4 -0.852 22.9-161.2 -97.2 128.2 -20.2 28.4 -11.2 56 64 A L E -JL 37 256B 0 -19,-2.8 -19,-2.1 -2,-0.5 2,-0.6 -0.905 13.7-157.8-114.5 143.4 -20.9 26.0 -8.2 57 65 A Y E +JL 36 255B 1 198,-2.7 197,-2.1 -2,-0.4 198,-1.6 -0.974 35.6 167.2-126.3 98.3 -23.5 23.0 -8.1 58 66 A R E -JL 35 253B 2 -23,-2.6 -23,-3.3 -2,-0.6 195,-0.2 -0.841 49.3-123.2-125.1 160.3 -24.2 22.5 -4.5 59 67 A I S S+ 0 0 4 193,-1.9 1214,-0.5 -2,-0.3 1215,-0.3 0.919 100.9 16.8 -69.7 -51.6 -26.5 20.7 -2.0 60 68 A R S S- 0 0 36 189,-0.2 -1,-0.2 192,-0.1 192,-0.2 -0.987 88.1-110.9-123.1 138.6 -27.6 23.8 -0.1 61 69 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 -24,-0.1 -0.331 25.0-121.7 -62.8 149.0 -27.2 27.5 -1.3 62 70 A S T 3 S+ 0 0 11 1,-0.3 1150,-0.2 1151,-0.1 1152,-0.1 0.710 109.8 72.7 -62.1 -20.5 -24.7 29.7 0.6 63 71 A A T 3 S+ 0 0 0 1150,-0.3 2,-1.7 1,-0.1 -1,-0.3 0.601 71.8 92.9 -67.2 -15.9 -27.7 32.0 1.3 64 72 A L < + 0 0 24 -3,-1.9 -1,-0.1 1149,-0.1 1201,-0.1 -0.615 62.9 108.3 -83.6 81.5 -29.0 29.4 3.8 65 73 A H - 0 0 17 -2,-1.7 1202,-0.2 1199,-0.3 3,-0.1 -0.980 63.9-120.3-152.9 145.5 -27.3 30.8 6.9 66 74 A P - 0 0 65 0, 0.0 180,-0.0 0, 0.0 -2,-0.0 -0.246 56.8 -57.0 -81.8 178.4 -28.6 32.7 10.0 67 75 A R - 0 0 75 1,-0.1 2,-0.4 873,-0.1 178,-0.2 -0.221 57.6-122.4 -54.3 136.4 -27.6 36.2 11.2 68 76 A F - 0 0 5 176,-0.1 2,-0.4 -3,-0.1 176,-0.2 -0.708 27.2-157.4 -80.1 138.4 -23.8 36.4 11.6 69 77 A E E -O 243 0D 100 174,-3.2 174,-2.9 -2,-0.4 2,-0.0 -0.946 23.3-105.4-121.8 139.5 -22.8 37.5 15.2 70 78 A R E -O 242 0D 124 -2,-0.4 172,-0.2 172,-0.2 2,-0.2 -0.342 36.8-125.6 -60.4 133.7 -19.5 39.2 16.2 71 79 A L - 0 0 32 170,-2.4 170,-0.1 1,-0.1 -1,-0.1 -0.568 2.5-138.7 -82.4 151.7 -17.1 36.8 18.0 72 80 A A S S+ 0 0 87 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.903 91.6 73.4 -72.7 -40.0 -15.8 37.8 21.5 73 81 A R + 0 0 110 -3,-0.0 168,-0.1 2,-0.0 -2,-0.1 -0.644 63.4 175.2 -79.1 116.5 -12.3 36.4 20.5 74 82 A Q > - 0 0 37 -2,-0.6 3,-0.8 1,-0.1 4,-0.2 -0.922 14.4-178.8-125.6 101.5 -10.7 38.7 18.0 75 83 A P T 3 S+ 0 0 33 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.736 83.7 44.4 -71.7 -24.1 -7.1 37.9 16.9 76 84 A L T 3 S+ 0 0 9 163,-0.3 39,-0.1 1,-0.1 31,-0.0 -0.019 84.5 94.5-114.4 30.2 -6.7 40.9 14.6 77 85 A G < + 0 0 58 -3,-0.8 -1,-0.1 38,-0.1 39,-0.1 0.614 47.3 127.4 -94.3 -19.0 -8.1 43.8 16.7 78 86 A G - 0 0 40 -3,-0.2 3,-0.1 -4,-0.2 319,-0.1 -0.037 65.2 -98.7 -44.7 136.7 -5.0 45.2 18.4 79 87 A P - 0 0 96 0, 0.0 318,-1.0 0, 0.0 319,-0.3 -0.001 47.7 -76.7 -62.0 166.0 -4.4 49.0 18.0 80 88 A L - 0 0 113 316,-0.1 2,-0.2 317,-0.1 316,-0.1 -0.352 46.5-120.8 -64.5 137.2 -2.1 50.7 15.5 81 89 A G - 0 0 1 314,-0.5 3,-0.1 1,-0.1 316,-0.1 -0.541 34.9 -96.3 -78.4 147.8 1.6 50.6 16.1 82 90 A G - 0 0 47 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.001 48.8 -81.3 -58.7 161.6 3.5 53.9 16.5 83 91 A I + 0 0 32 311,-0.1 -1,-0.1 582,-0.1 311,-0.0 -0.547 57.0 166.2 -67.4 129.7 5.5 55.6 13.6 84 92 A N - 0 0 43 -2,-0.3 581,-0.1 -3,-0.1 412,-0.0 -0.846 23.4-176.9-151.5 103.0 8.9 53.9 13.2 85 93 A P + 0 0 10 0, 0.0 269,-0.3 0, 0.0 3,-0.1 0.580 49.0 123.4 -76.6 -7.8 11.1 54.5 10.2 86 94 A N S S- 0 0 16 409,-0.1 2,-0.4 1,-0.1 268,-0.2 -0.063 72.6-106.4 -60.0 151.8 13.8 52.0 11.5 87 95 A R - 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0 0 3 -2,-1.5 -1277,-2.1 36,-0.2 2,-0.3 -0.331 11.9-163.6 -62.4 126.6 -5.5 80.9 -32.9 1981 281 E I E +H 702 0P 1 12,-0.4 2,-0.2 -1279,-0.2 -1279,-0.2 -0.870 25.4 134.6-109.9 142.2 -2.9 80.1 -30.2 1982 282 E G E -H 701 0P 6 -1281,-3.4 -1281,-3.1 -2,-0.3 2,-0.2 -0.877 53.3 -35.6-163.5-166.3 0.7 81.0 -30.6 1983 283 E T E +H 700 0P 14 -2,-0.2 37,-0.4 -1283,-0.2 -1283,-0.2 -0.499 34.7 176.4 -72.2 136.5 3.8 82.5 -28.9 1984 284 E V S S+ 0 0 4 -1285,-2.4 -1247,-1.9 -2,-0.2 -1284,-0.2 0.068 83.2 26.5-120.7 22.0 3.3 85.3 -26.5 1985 285 E S S S- 0 0 8 -1286,-0.4 37,-2.3 1,-0.4 2,-0.3 0.435 115.4 -41.9-140.3 -78.6 7.0 85.4 -25.7 1986 286 E F S S+ 0 0 30 -1287,-0.3 -1,-0.4 35,-0.3 -2,-0.2 -0.903 84.6 45.7-153.7 178.7 9.6 84.3 -28.2 1987 287 E D S S- 0 0 7 35,-0.4 34,-0.2 601,-0.3 -4,-0.1 0.046 81.1 -78.2 69.3-176.6 10.5 81.6 -30.7 1988 288 E H - 0 0 27 -6,-0.1 41,-0.2 33,-0.0 -1,-0.1 -0.903 43.9-132.2-125.1 103.7 8.3 80.1 -33.5 1989 289 E P - 0 0 20 0, 0.0 -1355,-0.1 0, 0.0 -1352,-0.1 -0.089 33.5 -92.5 -54.1 150.6 5.7 77.4 -32.4 1990 290 E D > - 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