==== 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 1EYB . 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) . 21119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 60.6 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 . 133 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 41 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.1 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 . 3 4 4 4 3 4 0 3 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 0 149 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 43.7 75.1 37.3 2 3 A E - 0 0 161 1,-0.1 2,-0.1 170,-0.0 0, 0.0 -0.622 360.0-115.7 -77.6 135.3 41.7 77.9 35.7 3 4 A L - 0 0 53 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.351 22.2-136.9 -69.1 149.2 38.1 76.9 35.3 4 5 A K - 0 0 128 226,-0.1 226,-0.8 -2,-0.1 2,-0.3 -0.767 21.7-164.4-102.4 155.9 36.5 76.5 31.8 5 6 A Y E -A 229 0A 59 -2,-0.3 2,-0.2 224,-0.2 166,-0.0 -0.943 20.7-132.0-139.1 157.0 33.0 77.8 30.9 6 7 A I E -A 228 0A 40 222,-3.0 222,-3.1 -2,-0.3 2,-0.3 -0.645 33.8-147.5 -93.7 159.1 30.2 77.6 28.3 7 8 A S E +A 227 0A 52 220,-0.2 220,-0.2 -2,-0.2 217,-0.2 -0.940 46.5 86.2-131.7 158.3 28.8 80.9 27.1 8 9 A G > - 0 0 8 218,-1.9 3,-2.1 215,-0.7 216,-0.2 0.583 63.3-117.1 122.1 91.7 25.5 82.4 25.9 9 10 A F T 3 S+ 0 0 47 214,-1.7 -2,-0.0 1,-0.3 265,-0.0 -0.344 100.1 10.1 -50.0 132.1 22.8 83.8 28.1 10 11 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.3 260,-0.1 -2,-0.0 0.344 94.3 154.0 81.2 -0.3 19.6 81.8 27.9 11 12 A N < - 0 0 77 -3,-2.1 2,-1.0 1,-0.1 -1,-0.2 -0.173 53.3-123.3 -62.4 149.8 21.2 79.0 25.9 12 13 A E - 0 0 107 258,-0.1 258,-0.2 256,-0.1 2,-0.2 -0.819 48.4-168.9 -80.9 101.6 20.0 75.4 25.7 13 14 A C E -J 269 0B 8 256,-2.7 256,-2.2 -2,-1.0 2,-0.4 -0.575 23.6-159.7 -99.5 164.0 23.3 73.9 26.9 14 15 A S E +J 268 0B 85 254,-0.2 2,-0.3 -2,-0.2 254,-0.2 -0.993 18.4 170.7-138.0 128.0 24.7 70.4 27.0 15 16 A S E -J 267 0B 12 252,-2.7 252,-2.6 -2,-0.4 2,-0.4 -0.986 11.1-175.8-145.2 133.6 27.6 69.5 29.3 16 17 A E E -J 266 0B 65 -2,-0.3 250,-0.2 250,-0.2 249,-0.1 -0.979 37.8-107.6-124.9 139.9 29.2 66.3 30.3 17 18 A D > - 0 0 3 248,-3.1 3,-2.3 -2,-0.4 6,-0.2 -0.473 33.7-127.0 -60.0 131.2 32.0 65.8 32.9 18 19 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 214,-0.1 0.706 105.8 67.2 -62.9 -14.8 35.0 65.0 30.7 19 20 A R T 3 S+ 0 0 137 1,-0.3 -2,-0.1 246,-0.1 246,-0.0 0.662 107.1 39.7 -74.7 -17.2 35.7 61.8 32.7 20 21 A C S X S- 0 0 16 -3,-2.3 3,-1.2 245,-0.2 -1,-0.3 -0.569 79.3-166.8-136.1 69.6 32.4 60.3 31.5 21 22 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.0 0, 0.0 245,-0.0 -0.233 75.6 23.1 -57.1 138.2 31.9 61.0 27.8 22 23 A G T 3 S+ 0 0 40 1,-0.1 4,-0.1 3,-0.1 244,-0.1 0.692 74.4 137.8 72.0 28.7 28.4 60.3 26.5 23 24 A S < + 0 0 0 -3,-1.2 243,-0.2 -6,-0.2 15,-0.1 0.653 51.5 86.7 -77.5 -15.9 26.8 60.6 30.0 24 25 A L S S- 0 0 25 241,-0.1 5,-0.1 10,-0.1 -8,-0.0 -0.735 93.7-110.3 -77.5 134.1 23.9 62.5 28.3 25 26 A P - 0 0 16 0, 0.0 2,-0.6 0, 0.0 3,-0.3 -0.326 34.8-117.6 -59.3 136.6 21.2 60.2 26.9 26 27 A E S S- 0 0 177 1,-0.2 3,-0.0 -4,-0.1 -3,-0.0 -0.784 84.0 -12.3 -81.1 121.1 21.3 60.3 23.2 27 28 A G S S+ 0 0 87 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.559 126.3 53.6 74.1 9.9 18.1 61.6 21.5 28 29 A Q - 0 0 107 -3,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.977 63.8-140.4-161.8 171.9 15.9 61.5 24.7 29 30 A N S S+ 0 0 53 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.643 91.9 48.8-107.9 -24.0 15.7 62.7 28.3 30 31 A N + 0 0 99 10,-0.0 -1,-0.1 3,-0.0 4,-0.0 -0.415 65.3 173.5-128.9 61.3 14.2 59.6 30.1 31 32 A P - 0 0 23 0, 0.0 3,-0.3 0, 0.0 9,-0.2 -0.167 43.2-119.0 -62.0 153.1 15.9 56.4 29.2 32 33 A Q S S+ 0 0 205 1,-0.3 2,-0.4 2,-0.0 0, 0.0 0.942 109.4 15.6 -58.0 -47.1 14.9 53.2 31.1 33 34 A V S S- 0 0 95 6,-0.0 -1,-0.3 0, 0.0 6,-0.1 -0.991 90.4-135.1-125.4 124.0 18.5 53.1 32.3 34 35 A C > - 0 0 9 4,-0.8 3,-2.3 -2,-0.4 4,-0.2 -0.395 37.7 -81.9 -72.8 152.8 20.7 56.2 31.9 35 36 A P G > S+ 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.236 120.6 14.1 -47.2 137.6 24.3 56.1 30.6 36 37 A Y G 3 S- 0 0 118 1,-0.3 -2,-0.1 -3,-0.1 -13,-0.1 0.561 127.2 -80.8 65.1 14.0 26.6 55.1 33.4 37 38 A N G < S+ 0 0 129 -3,-2.3 -1,-0.3 1,-0.1 25,-0.0 0.773 85.3 155.4 59.7 39.7 23.6 54.0 35.4 38 39 A L < - 0 0 18 -3,-1.4 -4,-0.8 -4,-0.2 2,-0.4 -0.215 43.3-113.2 -84.9 172.8 22.8 57.6 36.5 39 40 A Y E -K 62 0B 115 23,-2.6 23,-2.3 -6,-0.1 2,-0.4 -0.933 22.1-131.3-103.8 140.5 19.4 58.9 37.6 40 41 A A E +K 61 0B 41 -2,-0.4 2,-0.4 21,-0.2 21,-0.2 -0.696 29.2 176.0 -89.8 136.9 17.5 61.5 35.5 41 42 A E E -K 60 0B 38 19,-2.1 19,-3.3 -2,-0.4 2,-0.5 -0.984 18.1-147.8-143.0 127.2 16.2 64.5 37.4 42 43 A Q E -K 59 0B 69 -2,-0.4 2,-0.6 17,-0.2 17,-0.2 -0.790 4.0-163.2 -98.4 131.5 14.5 67.6 36.1 43 44 A L E -K 58 0B 33 15,-3.2 15,-2.2 -2,-0.5 2,-0.5 -0.969 13.7-159.7-105.6 110.6 14.9 71.0 37.7 44 45 A S E -K 57 0B 51 -2,-0.6 13,-0.3 13,-0.2 4,-0.1 -0.827 18.0-179.9 -91.6 130.5 12.1 73.2 36.4 45 46 A G S S+ 0 0 14 11,-2.2 2,-0.3 -2,-0.5 12,-0.2 0.325 71.1 32.6-108.0 6.2 12.6 77.0 36.8 46 47 A S S S- 0 0 26 10,-0.9 9,-0.1 4,-0.0 159,-0.0 -0.968 99.1 -76.9-147.5 164.6 9.2 77.9 35.2 47 48 A A > - 0 0 64 -2,-0.3 3,-1.2 1,-0.1 9,-0.3 -0.309 49.7-114.1 -52.3 153.2 5.6 76.6 35.0 48 49 A F T 3 S+ 0 0 157 1,-0.2 -1,-0.1 7,-0.1 7,-0.0 0.824 110.8 53.2 -61.6 -35.5 5.5 73.7 32.5 49 50 A T T 3 S+ 0 0 133 6,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.233 74.5 129.6 -94.6 17.9 3.2 75.7 30.1 50 51 A C S < S- 0 0 37 -3,-1.2 5,-0.1 1,-0.1 -4,-0.0 -0.353 70.6 -95.1 -63.1 145.7 5.3 78.9 29.6 51 52 A P >> - 0 0 90 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.235 44.4-101.5 -51.7 155.3 5.9 79.9 26.0 52 53 A R G >4 S+ 0 0 230 1,-0.3 3,-0.6 2,-0.2 -2,-0.1 0.822 118.8 60.5 -56.7 -38.5 9.2 78.7 24.8 53 54 A S G 34 S+ 0 0 97 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.707 120.0 28.3 -66.6 -18.3 11.1 82.0 25.2 54 55 A T G <4 S+ 0 0 62 -3,-1.9 2,-0.5 2,-0.0 -1,-0.2 0.343 89.8 113.6-122.0 8.7 10.4 81.9 28.9 55 56 A N << - 0 0 37 -4,-0.9 2,-0.5 -3,-0.6 -7,-0.1 -0.694 48.5-169.4 -83.9 120.1 10.1 78.1 29.6 56 57 A K + 0 0 47 -2,-0.5 -11,-2.2 -9,-0.3 -10,-0.9 -0.952 20.0 130.6-123.6 125.2 13.1 77.2 31.8 57 58 A R E -K 44 0B 55 -2,-0.5 213,-2.0 -13,-0.3 214,-0.5 -0.961 27.6-158.9-162.7 157.6 14.3 73.7 32.8 58 59 A S E -KL 43 269B 0 -15,-2.2 -15,-3.2 -2,-0.3 2,-0.5 -0.986 14.4-139.3-138.0 147.0 17.4 71.5 33.0 59 60 A W E -KL 42 268B 28 209,-3.5 209,-2.0 -2,-0.3 2,-0.4 -0.926 17.9-159.5-104.4 131.7 17.9 67.8 33.2 60 61 A L E -KL 41 267B 0 -19,-3.3 -19,-2.1 -2,-0.5 2,-0.7 -0.921 9.2-157.1-114.5 131.3 20.5 66.5 35.6 61 62 A Y E +KL 40 266B 0 205,-2.8 204,-1.9 -2,-0.4 205,-1.5 -0.969 35.6 170.2-111.5 101.7 22.1 63.0 35.2 62 63 A R E -KL 39 264B 2 -23,-2.3 -23,-2.6 -2,-0.7 202,-0.2 -0.878 49.6-121.7-129.0 156.8 23.3 62.3 38.7 63 64 A I S S+ 0 0 41 200,-2.3 -1,-0.1 -2,-0.3 201,-0.1 0.899 103.5 8.8 -68.3 -41.1 24.7 59.6 40.9 64 65 A L S S- 0 0 56 199,-0.1 -1,-0.2 -25,-0.1 199,-0.2 -0.995 86.8-113.3-136.9 140.1 21.9 59.9 43.5 65 66 A P > - 0 0 24 0, 0.0 3,-1.5 0, 0.0 -24,-0.0 -0.199 29.0-111.2 -67.8 162.2 18.7 61.9 43.1 66 67 A S T 3 S+ 0 0 18 1,-0.3 -25,-0.0 195,-0.0 0, 0.0 0.707 108.6 75.1 -72.7 -18.9 18.0 64.9 45.3 67 68 A V T 3 + 0 0 113 1,-0.1 2,-2.0 0, 0.0 -1,-0.3 0.682 69.6 96.0 -63.4 -22.6 15.1 63.1 47.1 68 69 A S < + 0 0 57 -3,-1.5 2,-0.3 189,-0.0 190,-0.3 -0.534 64.3 99.0 -74.5 80.7 17.7 61.0 49.0 69 70 A H S S- 0 0 71 -2,-2.0 188,-0.2 188,-0.1 3,-0.1 -0.973 71.3-103.1-156.6 162.3 17.8 63.1 52.2 70 71 A K - 0 0 145 186,-3.0 0, 0.0 -2,-0.3 0, 0.0 -0.331 56.7 -69.9 -85.7 172.2 16.4 63.2 55.7 71 72 A P - 0 0 104 0, 0.0 185,-0.4 0, 0.0 -1,-0.2 -0.182 53.2-103.8 -65.6 148.3 13.6 65.5 56.8 72 73 A F - 0 0 67 183,-0.1 2,-0.4 -3,-0.1 183,-0.2 -0.432 33.3-164.2 -72.6 145.6 14.1 69.2 57.2 73 74 A E E -M 254 0C 142 181,-2.2 181,-3.0 -2,-0.1 2,-0.0 -0.982 26.8-104.7-127.2 145.7 14.5 70.8 60.6 74 75 A S E -M 253 0C 88 -2,-0.4 2,-0.3 179,-0.2 179,-0.2 -0.339 38.1-172.5 -68.1 134.3 14.2 74.5 61.5 75 76 A I - 0 0 52 177,-2.0 177,-0.5 -2,-0.0 2,-0.1 -0.932 37.2 -80.8-123.7 165.0 17.4 76.3 62.2 76 77 A D - 0 0 141 -2,-0.3 3,-0.1 1,-0.1 177,-0.0 -0.346 31.8-143.1 -69.3 140.3 18.0 79.8 63.5 77 78 A E > - 0 0 33 1,-0.3 3,-2.7 2,-0.1 -1,-0.1 0.578 24.2-167.9 -85.6 -1.6 17.6 82.5 60.8 78 79 A G T 3 S- 0 0 44 1,-0.3 -1,-0.3 38,-0.1 38,-0.1 -0.384 70.1 -20.9 52.3-121.2 20.5 84.6 62.2 79 80 A H B 3 S+b 116 0A 95 36,-0.6 38,-2.4 34,-0.2 2,-0.6 0.216 105.4 114.1-109.3 19.2 20.2 87.9 60.3 80 81 A V < + 0 0 7 -3,-2.7 2,-0.3 36,-0.2 172,-0.1 -0.793 44.9 154.7 -81.4 119.1 18.2 86.7 57.4 81 82 A T - 0 0 45 -2,-0.6 38,-0.1 38,-0.1 169,-0.1 -0.983 39.6-173.7-146.6 154.7 14.8 88.5 57.7 82 83 A H + 0 0 26 -2,-0.3 2,-1.4 49,-0.1 42,-0.3 0.103 48.5 121.7-132.4 17.2 11.9 89.6 55.6 83 84 A N > + 0 0 69 1,-0.2 3,-0.9 2,-0.1 4,-0.3 -0.686 24.4 165.8 -89.8 91.0 9.8 91.5 58.1 84 85 A W G > S+ 0 0 28 -2,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.731 72.3 66.5 -77.8 -14.5 9.7 94.9 56.5 85 86 A D G 3 S+ 0 0 152 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.376 78.4 82.1 -86.7 -2.7 6.9 95.8 58.9 86 87 A E G < S+ 0 0 43 -3,-0.9 2,-0.3 2,-0.1 -1,-0.2 0.851 91.5 51.5 -66.4 -29.7 9.2 95.6 61.9 87 88 A V S < S- 0 0 30 -3,-0.7 3,-0.1 -4,-0.3 -1,-0.0 -0.800 88.1-110.7-122.8 142.9 10.5 99.2 61.3 88 89 A D - 0 0 141 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.478 42.4 -99.6 -73.3 142.7 8.7 102.5 60.8 89 90 A P + 0 0 128 0, 0.0 -1,-0.1 0, 0.0 310,-0.1 -0.202 43.2 176.5 -53.3 144.9 8.8 104.1 57.4 90 91 A D - 0 0 100 -3,-0.1 310,-0.1 2,-0.1 -3,-0.0 -0.856 21.9-162.0-158.1 116.3 11.4 106.9 56.9 91 92 A P + 0 0 79 0, 0.0 267,-0.6 0, 0.0 2,-0.1 0.561 56.5 113.2 -79.5 -10.0 12.0 108.7 53.7 92 93 A N S S- 0 0 112 1,-0.1 -2,-0.1 265,-0.1 264,-0.1 -0.392 78.0 -99.9 -67.3 143.5 15.4 110.1 54.7 93 94 A Q - 0 0 99 -2,-0.1 2,-0.4 265,-0.1 264,-0.2 -0.222 36.1-150.7 -56.9 139.7 18.5 108.8 52.9 94 95 A L E -S 356 0D 34 262,-1.9 262,-2.2 -3,-0.1 2,-0.3 -0.920 10.2-165.9-110.9 145.8 20.4 106.2 54.7 95 96 A R E -S 355 0D 93 -2,-0.4 314,-2.8 314,-0.2 2,-0.4 -0.970 2.9-160.5-132.8 148.2 24.2 105.6 54.4 96 97 A W E -S 354 0D 1 258,-2.8 258,-1.8 -2,-0.3 254,-0.2 -0.993 13.2-139.2-128.8 133.4 26.5 102.8 55.4 97 98 A K - 0 0 131 310,-0.4 3,-0.1 -2,-0.4 255,-0.1 -0.439 64.2 -59.1 -72.1 163.0 30.2 102.6 55.9 98 99 A P S S- 0 0 35 0, 0.0 255,-0.3 0, 0.0 -1,-0.2 -0.237 72.0-104.9 -48.4 118.7 31.9 99.5 54.6 99 100 A F - 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