==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAY-00 1EY2 . COMPND 2 MOLECULE: HOMOGENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.E.TIMM,G.P.TITUS,M.A.PENALVA,H.A.MUELLER,S.M.DE CORDOBA . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 45 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 0 0 1 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 . 1 0 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 PARALLEL BRIDGES PER LADDER . 4 3 4 4 3 3 0 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 . 1 0 1 0 0 2 0 0 1 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 2 A A 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.0 44.1 75.2 38.2 2 3 A E - 0 0 129 1,-0.1 2,-0.0 170,-0.0 0, 0.0 -0.656 360.0-113.8 -97.6 142.7 41.5 77.5 36.5 3 4 A L - 0 0 46 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.274 18.2-139.5 -70.7 145.8 38.0 76.5 35.7 4 5 A K - 0 0 159 226,-0.1 226,-0.7 -2,-0.0 2,-0.3 -0.695 22.2-165.7 -99.0 157.7 36.5 76.2 32.2 5 6 A Y E -A 229 0A 55 -2,-0.3 2,-0.3 224,-0.2 225,-0.0 -0.943 21.9-125.6-142.8 161.6 33.0 77.4 31.4 6 7 A I E -A 228 0A 44 222,-3.1 222,-3.5 -2,-0.3 2,-0.3 -0.823 33.8-143.9-101.5 148.2 30.2 77.2 28.8 7 8 A S E +A 227 0A 57 -2,-0.3 220,-0.2 220,-0.2 217,-0.2 -0.879 48.6 87.2-119.5 151.7 29.0 80.6 27.4 8 9 A G > - 0 0 7 218,-1.9 3,-2.2 215,-0.7 216,-0.2 0.423 64.1-116.4 127.7 94.0 25.6 81.9 26.3 9 10 A F T 3 S+ 0 0 43 214,-1.7 -2,-0.0 1,-0.3 215,-0.0 -0.254 99.3 0.8 -54.7 124.7 22.9 83.5 28.5 10 11 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 262,-0.1 -2,-0.0 0.458 93.6 156.1 77.3 3.7 19.8 81.4 28.5 11 12 A N < - 0 0 83 -3,-2.2 2,-1.0 1,-0.1 -1,-0.2 -0.130 53.3-117.5 -62.1 155.4 21.2 78.7 26.2 12 13 A E - 0 0 105 258,-0.1 258,-0.3 256,-0.0 2,-0.2 -0.872 51.6-169.9 -92.4 100.9 19.9 75.1 26.2 13 14 A C E -J 269 0B 9 256,-3.1 256,-2.4 -2,-1.0 2,-0.4 -0.613 24.2-159.3-101.0 161.5 23.2 73.5 27.4 14 15 A S E +J 268 0B 84 254,-0.2 2,-0.4 -2,-0.2 254,-0.2 -0.999 17.2 173.1-136.9 130.4 24.6 70.0 27.7 15 16 A S E -J 267 0B 12 252,-2.9 252,-2.5 -2,-0.4 2,-0.4 -0.977 11.4-175.6-149.0 132.6 27.5 69.1 30.0 16 17 A E E -J 266 0B 68 -2,-0.4 250,-0.2 250,-0.2 249,-0.1 -0.972 38.3-107.6-124.1 135.0 29.2 65.8 31.1 17 18 A D > - 0 0 2 248,-2.6 3,-2.2 -2,-0.4 6,-0.2 -0.464 34.3-125.2 -55.4 132.3 32.0 65.5 33.6 18 19 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 214,-0.1 0.721 106.7 63.5 -55.7 -25.6 35.1 64.7 31.5 19 20 A R T 3 S+ 0 0 141 1,-0.3 -2,-0.1 246,-0.1 246,-0.0 0.665 106.3 43.6 -74.4 -17.7 35.7 61.5 33.5 20 21 A C S X S- 0 0 15 -3,-2.2 3,-0.9 245,-0.2 -1,-0.3 -0.602 78.8-167.3-130.0 72.3 32.4 59.9 32.4 21 22 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.0 0, 0.0 -2,-0.0 -0.271 74.0 21.9 -60.3 144.7 32.0 60.5 28.7 22 23 A G T 3 S+ 0 0 41 1,-0.1 4,-0.1 3,-0.0 244,-0.1 0.786 74.7 135.9 69.4 28.7 28.5 59.7 27.4 23 24 A S < + 0 0 0 -3,-0.9 243,-0.2 -6,-0.2 15,-0.1 0.647 51.6 86.8 -79.2 -17.6 26.8 60.1 30.8 24 25 A L S S- 0 0 30 241,-0.1 5,-0.1 10,-0.1 -8,-0.0 -0.757 93.9-109.4 -81.3 129.4 24.0 62.1 29.1 25 26 A P - 0 0 17 0, 0.0 2,-0.5 0, 0.0 3,-0.5 -0.295 34.9-118.6 -58.7 136.0 21.2 59.8 27.7 26 27 A E S S- 0 0 186 1,-0.2 3,-0.0 -4,-0.1 0, 0.0 -0.685 83.4 -13.2 -85.8 119.5 21.3 59.8 24.0 27 28 A G S S+ 0 0 86 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.606 126.1 54.8 69.5 17.1 18.2 61.1 22.3 28 29 A Q - 0 0 104 -3,-0.5 -1,-0.1 1,-0.1 0, 0.0 -0.975 65.2-138.3-167.1 166.5 15.9 61.1 25.4 29 30 A N S S+ 0 0 53 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.663 93.3 42.9-105.8 -24.5 15.7 62.3 29.0 30 31 A N + 0 0 96 10,-0.0 -1,-0.2 4,-0.0 4,-0.0 -0.572 64.5 173.9-128.0 68.0 14.3 59.3 30.8 31 32 A P - 0 0 23 0, 0.0 3,-0.2 0, 0.0 9,-0.1 -0.342 44.9-115.6 -66.8 158.8 15.9 56.0 29.8 32 33 A Q S S+ 0 0 207 1,-0.3 2,-0.4 2,-0.0 0, 0.0 0.934 110.8 18.8 -58.1 -45.6 14.8 53.0 31.9 33 34 A V S S- 0 0 95 6,-0.0 -1,-0.3 -3,-0.0 6,-0.1 -0.997 90.2-137.3-127.6 119.4 18.4 52.8 33.0 34 35 A C > - 0 0 11 4,-0.7 3,-2.2 -2,-0.4 4,-0.2 -0.463 38.1 -82.6 -72.6 151.3 20.5 55.9 32.6 35 36 A P G > S+ 0 0 42 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.197 120.3 15.6 -50.7 145.2 24.1 55.6 31.4 36 37 A Y G 3 S- 0 0 119 1,-0.3 -13,-0.1 -3,-0.1 -2,-0.1 0.577 127.6 -81.7 61.7 13.3 26.5 54.7 34.3 37 38 A N G < S+ 0 0 131 -3,-2.2 -1,-0.3 1,-0.1 2,-0.1 0.825 83.9 157.3 61.4 39.0 23.4 53.7 36.3 38 39 A L < - 0 0 17 -3,-1.5 -4,-0.7 -4,-0.2 2,-0.4 -0.304 42.5-112.5 -87.2 170.1 22.6 57.3 37.3 39 40 A Y E -K 62 0B 116 23,-3.1 23,-2.4 -6,-0.1 2,-0.4 -0.868 22.8-133.7-103.1 141.1 19.2 58.7 38.4 40 41 A A E +K 61 0B 38 -2,-0.4 2,-0.4 21,-0.2 21,-0.2 -0.793 27.7 179.2 -95.2 130.3 17.4 61.3 36.2 41 42 A E E -K 60 0B 41 19,-2.2 19,-3.3 -2,-0.4 2,-0.5 -0.998 16.2-147.6-135.3 130.0 16.1 64.3 38.1 42 43 A Q E -K 59 0B 69 -2,-0.4 2,-0.6 17,-0.2 17,-0.2 -0.862 3.8-163.0-103.3 131.0 14.3 67.3 36.7 43 44 A L E -K 58 0B 35 15,-2.7 15,-2.3 -2,-0.5 2,-0.7 -0.967 13.1-157.8-108.7 110.8 14.6 70.8 38.2 44 45 A S E +K 57 0B 57 -2,-0.6 13,-0.3 13,-0.2 4,-0.1 -0.846 18.3 176.4 -95.3 115.7 11.7 72.9 37.0 45 46 A G S S+ 0 0 15 11,-2.8 2,-0.3 -2,-0.7 12,-0.2 0.594 70.7 31.0 -91.4 -12.8 12.4 76.7 37.1 46 47 A S S S- 0 0 23 10,-1.3 9,-0.1 4,-0.1 159,-0.0 -0.911 99.5 -80.0-139.1 160.6 9.1 77.6 35.5 47 48 A A > - 0 0 62 -2,-0.3 3,-1.4 1,-0.1 9,-0.2 -0.329 47.4-116.6 -52.4 149.4 5.5 76.3 35.3 48 49 A F T 3 S+ 0 0 152 1,-0.3 -1,-0.1 7,-0.1 7,-0.0 0.806 111.2 58.1 -61.2 -33.0 5.4 73.4 32.7 49 50 A T T 3 S+ 0 0 137 6,-0.0 -1,-0.3 2,-0.0 6,-0.1 0.283 74.7 125.1 -85.3 9.4 3.0 75.4 30.5 50 51 A C < - 0 0 37 -3,-1.4 5,-0.1 4,-0.1 -4,-0.1 -0.394 68.4-104.6 -67.5 144.7 5.2 78.4 30.0 51 52 A P >> - 0 0 82 0, 0.0 3,-1.9 0, 0.0 4,-1.4 -0.204 40.3 -92.7 -61.9 166.0 5.9 79.3 26.4 52 53 A R G >4 S+ 0 0 234 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.893 124.5 59.6 -48.3 -44.6 9.3 78.5 24.8 53 54 A S G 34 S+ 0 0 91 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.706 119.8 24.7 -61.8 -23.5 10.6 82.0 25.7 54 55 A T G <4 S+ 0 0 53 -3,-1.9 2,-0.6 2,-0.0 -1,-0.2 0.371 88.1 116.1-122.8 4.1 10.0 81.5 29.4 55 56 A N << - 0 0 39 -4,-1.4 2,-0.5 -3,-0.7 -7,-0.1 -0.645 42.3-176.7 -80.5 119.1 10.1 77.7 30.0 56 57 A K + 0 0 48 -2,-0.6 -11,-2.8 -9,-0.2 -10,-1.3 -0.960 15.7 133.6-124.9 126.4 13.0 76.8 32.3 57 58 A R E -K 44 0B 50 -2,-0.5 213,-1.7 -13,-0.3 214,-0.4 -0.987 28.2-155.3-162.0 154.0 14.2 73.4 33.4 58 59 A S E -KL 43 269B 0 -15,-2.3 -15,-2.7 -2,-0.3 2,-0.5 -0.988 12.9-140.5-135.4 141.8 17.3 71.2 33.7 59 60 A W E -KL 42 268B 26 209,-3.5 209,-2.0 -2,-0.3 2,-0.5 -0.928 18.7-162.5-101.2 125.9 17.8 67.4 33.8 60 61 A L E -KL 41 267B 1 -19,-3.3 -19,-2.2 -2,-0.5 2,-0.8 -0.935 8.8-158.8-111.0 127.4 20.4 66.2 36.3 61 62 A Y E +KL 40 266B 0 205,-3.1 204,-1.8 -2,-0.5 205,-1.5 -0.901 34.5 167.3-108.5 103.7 21.9 62.8 36.0 62 63 A R E -KL 39 264B 3 -23,-2.4 -23,-3.1 -2,-0.8 202,-0.2 -0.719 50.9-116.4-124.3 168.6 23.2 62.1 39.5 63 64 A I S S+ 0 0 42 200,-2.1 201,-0.1 -2,-0.2 -1,-0.1 0.873 103.8 8.1 -70.9 -40.7 24.5 59.4 41.8 64 65 A L S S- 0 0 57 199,-0.2 -1,-0.2 -25,-0.1 199,-0.2 -0.990 86.6-110.3-139.7 142.3 21.6 59.6 44.2 65 66 A P > - 0 0 26 0, 0.0 3,-1.4 0, 0.0 -24,-0.1 -0.330 31.9-112.0 -70.1 157.8 18.4 61.6 43.8 66 67 A S T 3 S+ 0 0 18 1,-0.3 -25,-0.0 195,-0.0 0, 0.0 0.618 107.8 79.2 -67.1 -15.0 17.9 64.7 46.0 67 68 A V T 3 + 0 0 112 1,-0.1 2,-1.8 0, 0.0 -1,-0.3 0.800 67.7 93.4 -62.1 -28.1 15.1 62.9 47.9 68 69 A S < + 0 0 52 -3,-1.4 2,-0.3 189,-0.0 190,-0.3 -0.478 63.6 100.6 -73.3 88.3 17.6 60.9 49.9 69 70 A H S S- 0 0 67 -2,-1.8 188,-0.2 188,-0.1 3,-0.1 -0.952 72.5-103.5-158.4 161.4 17.8 63.1 53.0 70 71 A K - 0 0 137 186,-3.2 0, 0.0 -2,-0.3 0, 0.0 -0.412 59.2 -67.2 -86.7 168.5 16.4 63.2 56.5 71 72 A P - 0 0 105 0, 0.0 185,-0.4 0, 0.0 -1,-0.2 -0.216 54.8-107.0 -58.8 141.5 13.5 65.5 57.5 72 73 A F - 0 0 64 183,-0.2 2,-0.4 -3,-0.1 183,-0.2 -0.411 33.7-160.3 -65.9 145.2 14.2 69.3 57.6 73 74 A E E -M 254 0C 146 181,-2.0 181,-3.0 -2,-0.1 2,-0.2 -0.969 24.4-105.7-129.6 140.8 14.4 70.8 61.0 74 75 A S E -M 253 0C 96 -2,-0.4 2,-0.3 179,-0.2 179,-0.2 -0.475 38.3-173.0 -65.2 132.6 14.0 74.5 61.8 75 76 A I - 0 0 54 177,-2.1 177,-0.4 -2,-0.2 2,-0.2 -0.789 38.9 -75.1-119.4 169.8 17.3 76.3 62.6 76 77 A D - 0 0 142 -2,-0.3 177,-0.0 1,-0.1 175,-0.0 -0.481 34.0-142.5 -70.0 133.5 17.7 79.9 63.9 77 78 A E > - 0 0 30 1,-0.2 3,-1.6 -2,-0.2 2,-0.3 0.685 25.7-170.0 -66.7 -26.1 17.2 82.6 61.2 78 79 A G T 3 - 0 0 47 1,-0.2 -1,-0.2 174,-0.1 38,-0.1 -0.508 68.1 -22.8 70.9-124.0 20.0 84.8 62.4 79 80 A H B 3 S+b 116 0A 95 36,-0.7 38,-2.9 -2,-0.3 2,-0.7 0.082 107.1 111.4-109.2 19.4 19.7 88.1 60.6 80 81 A V < + 0 0 6 -3,-1.6 2,-0.3 36,-0.2 172,-0.1 -0.875 45.2 151.9 -91.9 118.5 17.8 86.8 57.6 81 82 A T - 0 0 29 -2,-0.7 169,-0.1 170,-0.1 170,-0.1 -0.957 41.4-169.5-146.5 162.4 14.3 88.3 57.8 82 83 A H + 0 0 59 -2,-0.3 2,-1.3 49,-0.1 42,-0.1 0.092 51.3 121.7-137.6 13.6 11.3 89.3 55.6 83 84 A N > + 0 0 73 1,-0.2 3,-0.8 2,-0.0 4,-0.3 -0.736 34.3 177.8 -82.1 96.5 9.3 91.2 58.2 84 85 A W T 3 S+ 0 0 25 -2,-1.3 3,-0.2 1,-0.2 -1,-0.2 0.644 70.6 59.9 -77.7 -11.6 9.1 94.6 56.5 85 86 A D T 3 S+ 0 0 145 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.068 72.2 86.6-107.4 29.6 6.9 96.0 59.3 86 87 A E S < S+ 0 0 59 -3,-0.8 2,-0.4 1,-0.1 -1,-0.2 0.755 91.3 55.7 -94.4 -20.3 8.9 95.7 62.5 87 88 A V S S- 0 0 24 313,-0.3 -1,-0.1 -4,-0.3 3,-0.1 -0.860 94.1-115.4-112.0 129.7 10.5 99.1 61.8 88 89 A D - 0 0 138 -2,-0.4 312,-0.1 1,-0.1 -2,-0.1 -0.328 43.1 -93.1 -61.9 146.0 8.4 102.2 61.1 89 90 A P - 0 0 126 0, 0.0 -1,-0.1 0, 0.0 310,-0.1 -0.141 41.8-173.3 -56.5 154.6 8.7 103.7 57.6 90 91 A D - 0 0 85 -3,-0.1 310,-0.1 2,-0.1 268,-0.1 -0.807 17.0-167.3-156.9 113.5 11.3 106.4 57.1 91 92 A P + 0 0 82 0, 0.0 267,-0.5 0, 0.0 3,-0.1 0.615 55.5 110.5 -75.6 -17.5 11.6 108.4 53.8 92 93 A N S S- 0 0 110 1,-0.1 2,-0.1 265,-0.1 -2,-0.1 -0.251 81.4 -98.2 -59.6 146.5 15.0 109.9 54.6 93 94 A Q - 0 0 83 264,-0.1 2,-0.3 265,-0.1 264,-0.2 -0.421 39.7-150.0 -63.3 138.5 18.0 108.8 52.7 94 95 A L E -S 356 0D 26 262,-1.4 262,-2.0 -3,-0.1 2,-0.3 -0.846 11.5-168.0-110.1 151.3 20.0 106.1 54.5 95 96 A R E -S 355 0D 58 -2,-0.3 314,-2.2 260,-0.2 2,-0.4 -0.992 3.7-158.0-139.4 143.7 23.7 105.6 54.2 96 97 A W E -S 354 0D 0 258,-2.9 258,-1.5 -2,-0.3 254,-0.2 -0.975 12.9-138.1-128.0 133.5 25.9 102.8 55.4 97 98 A K - 0 0 136 310,-0.5 3,-0.1 -2,-0.4 252,-0.1 -0.456 63.5 -62.2 -72.8 162.9 29.7 102.7 56.1 98 99 A P S S- 0 0 35 0, 0.0 255,-0.3 0, 0.0 -1,-0.2 -0.267 70.0-106.8 -49.6 126.6 31.3 99.5 54.8 99 100 A F - 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