==== 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 27-AUG-09 3ISQ . COMPND 2 MOLECULE: 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,N.SHAFQAT,R.COCKING,J.E.BRAY,T.KROJER,A.C.W.PIKE,F . 376 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 25.5 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 1.1 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 . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 1 0 1 2 2 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 2 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 0 0 1 2 1 1 4 1 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 2 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 A 0 0 141 0, 0.0 3,-0.1 0, 0.0 223,-0.0 0.000 360.0 360.0 360.0 116.8 6.6 39.3 -21.4 2 10 A K - 0 0 143 1,-0.1 195,-0.0 2,-0.1 0, 0.0 -0.538 360.0-107.2 -74.3 127.5 2.9 39.0 -22.1 3 11 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.251 25.2-125.5 -52.8 139.6 1.6 35.4 -21.5 4 12 A E S S- 0 0 117 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.857 85.1 -1.0 -58.9 -40.0 0.8 33.7 -24.8 5 13 A R S S+ 0 0 138 89,-0.0 -1,-0.1 92,-0.0 89,-0.0 -0.911 98.3 49.9-142.9 167.8 -2.8 32.9 -23.8 6 14 A G - 0 0 27 -2,-0.3 2,-0.3 1,-0.1 88,-0.2 0.205 50.8-140.2 86.3 154.7 -5.1 33.2 -20.8 7 15 A R E -A 93 0A 105 86,-1.8 86,-2.6 217,-0.0 2,-0.7 -0.956 9.5-147.0-152.3 138.5 -6.1 36.1 -18.6 8 16 A F E -A 92 0A 13 -2,-0.3 219,-0.3 84,-0.2 84,-0.2 -0.948 22.9-176.4-100.2 109.1 -6.7 36.6 -14.9 9 17 A L E - 0 0 42 82,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.973 51.3 -40.2 -73.9 -57.4 -9.4 39.2 -14.9 10 18 A H E S-A 91 0A 100 81,-0.9 81,-2.6 218,-0.0 -1,-0.3 -0.962 70.5 -70.3-161.0 163.1 -10.0 40.0 -11.2 11 19 A F E -A 90 0A 21 216,-0.3 79,-0.3 -2,-0.3 162,-0.1 -0.526 43.6-166.6 -56.5 134.8 -10.3 38.3 -7.8 12 20 A H E - 0 0 19 77,-3.1 2,-0.3 1,-0.4 78,-0.2 0.867 53.9 -41.6 -91.5 -48.7 -13.7 36.4 -8.0 13 21 A S E -A 89 0A 5 76,-0.9 76,-2.7 46,-0.1 2,-0.4 -0.976 45.7-119.5-172.3 163.8 -14.2 35.6 -4.3 14 22 A V E -Ab 88 61A 0 46,-2.1 48,-3.1 -2,-0.3 2,-0.5 -0.995 23.0-151.9-123.3 129.9 -12.6 34.4 -1.1 15 23 A T E -Ab 87 62A 25 72,-2.8 71,-3.3 -2,-0.4 72,-2.0 -0.921 9.5-164.1-106.5 127.2 -13.8 31.2 0.6 16 24 A F E -Ab 85 63A 2 46,-3.4 48,-2.6 -2,-0.5 2,-0.6 -0.863 12.8-147.6-108.9 137.6 -13.4 30.8 4.3 17 25 A W E +Ab 84 64A 37 67,-2.5 67,-1.8 -2,-0.4 2,-0.3 -0.964 36.2 168.5-103.5 117.2 -13.6 27.5 6.2 18 26 A V - 0 0 8 46,-2.7 3,-0.3 -2,-0.6 48,-0.3 -0.821 48.3-117.3-132.2 166.2 -15.1 28.4 9.6 19 27 A G S S+ 0 0 44 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.844 108.6 19.7 -73.6 -33.6 -16.6 26.7 12.7 20 28 A N > - 0 0 69 1,-0.1 4,-2.4 44,-0.1 -1,-0.3 -0.779 64.0-174.1-143.6 89.6 -20.0 28.3 12.3 21 29 A A H > S+ 0 0 3 -3,-0.3 4,-2.8 -2,-0.3 5,-0.2 0.888 85.6 54.3 -56.4 -41.6 -20.8 29.6 8.8 22 30 A K H > S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 112.8 42.1 -59.0 -49.5 -24.2 31.2 9.8 23 31 A Q H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 113.1 53.5 -65.9 -35.4 -22.6 33.3 12.6 24 32 A A H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.922 108.5 48.4 -67.6 -44.7 -19.6 34.2 10.5 25 33 A A H X S+ 0 0 9 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.924 110.6 52.7 -61.0 -39.5 -21.8 35.6 7.8 26 34 A S H X S+ 0 0 57 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.907 108.3 51.1 -59.3 -44.9 -23.7 37.5 10.4 27 35 A F H X>S+ 0 0 76 -4,-2.3 4,-2.8 1,-0.2 5,-0.5 0.944 112.2 44.5 -58.0 -56.5 -20.4 39.0 11.7 28 36 A Y H X5S+ 0 0 13 -4,-2.4 6,-1.4 3,-0.2 4,-1.3 0.864 116.8 46.8 -61.6 -37.3 -19.2 40.2 8.3 29 37 A C H X5S+ 0 0 5 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.964 120.1 37.0 -67.4 -49.2 -22.6 41.6 7.4 30 38 A S H <5S+ 0 0 23 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.957 128.5 31.0 -68.5 -51.0 -23.2 43.4 10.7 31 39 A K H <5S+ 0 0 65 -4,-2.8 247,-0.3 -5,-0.3 -3,-0.2 0.732 130.0 31.5 -81.7 -30.8 -19.7 44.6 11.4 32 40 A M H <>>S- 0 0 0 -2,-0.3 5,-2.1 9,-0.2 3,-1.8 -0.949 79.9 -38.7 176.3-162.5 -27.1 23.8 2.6 42 50 A L G >45S+ 0 0 76 1,-0.3 3,-1.2 -2,-0.3 5,-0.1 0.891 129.2 55.1 -54.2 -39.4 -29.5 21.1 3.8 43 51 A E G 345S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.632 113.2 42.1 -70.7 -15.6 -32.5 23.0 2.6 44 52 A T G <45S- 0 0 54 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.276 124.1 -96.7-110.3 4.3 -31.1 23.3 -0.9 45 53 A G T <<5S+ 0 0 57 -3,-1.2 2,-0.9 -4,-0.6 -3,-0.2 0.478 83.9 128.4 92.7 6.3 -29.7 19.7 -1.1 46 54 A S < + 0 0 21 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.2 -0.829 29.0 171.7 -92.4 104.9 -26.1 20.3 -0.2 47 55 A R + 0 0 148 -2,-0.9 -1,-0.1 1,-0.1 3,-0.1 0.569 66.2 40.1-102.0 -9.6 -25.7 17.8 2.6 48 56 A E S S+ 0 0 123 1,-0.3 19,-2.5 19,-0.1 20,-0.5 0.759 117.5 32.9-103.4 -32.0 -22.0 17.8 3.4 49 57 A V E - E 0 66A 29 17,-0.2 2,-0.4 18,-0.1 -1,-0.3 -0.987 61.2-157.5-133.0 133.5 -21.1 21.5 3.3 50 58 A V E - E 0 65A 14 15,-2.5 15,-2.1 -2,-0.4 2,-0.4 -0.913 14.9-171.7-104.5 141.7 -23.1 24.6 4.1 51 59 A S E -CE 40 64A 0 -11,-2.6 -11,-2.0 -2,-0.4 2,-0.6 -0.986 15.8-164.3-136.9 130.8 -22.1 27.9 2.6 52 60 A H E -CE 39 63A 28 11,-2.7 11,-2.8 -2,-0.4 2,-0.5 -0.952 16.8-159.3-107.1 120.7 -23.3 31.5 3.2 53 61 A V E -CE 38 62A 2 -15,-3.0 -16,-3.4 -2,-0.6 -15,-1.9 -0.873 12.9-179.5-104.8 130.9 -22.3 33.8 0.4 54 62 A I E -CE 36 61A 2 7,-2.7 7,-2.1 -2,-0.5 2,-0.3 -0.891 5.6-162.9-131.8 157.6 -22.2 37.6 1.1 55 63 A K E +CE 35 60A 78 -20,-2.8 -20,-2.0 -2,-0.3 2,-0.3 -0.974 18.3 179.1-142.5 149.2 -21.3 40.6 -1.0 56 64 A Q E > S- E 0 59A 19 3,-2.2 3,-2.4 -2,-0.3 2,-0.2 -0.870 76.5 -41.4-148.9 119.1 -20.4 44.2 -0.7 57 65 A G T 3 S- 0 0 41 -2,-0.3 115,-0.2 1,-0.3 114,-0.2 -0.484 126.6 -26.3 60.3-129.6 -19.8 46.0 -4.0 58 66 A K T 3 S+ 0 0 123 113,-3.1 2,-0.4 -2,-0.2 -1,-0.3 0.467 113.9 113.1 -88.1 -8.0 -17.8 43.5 -6.1 59 67 A I E < - E 0 56A 1 -3,-2.4 -3,-2.2 111,-0.2 2,-0.5 -0.563 45.0-175.0 -72.5 125.3 -16.4 41.8 -2.9 60 68 A V E - E 0 55A 10 -2,-0.4 -46,-2.1 -5,-0.2 2,-0.4 -0.983 5.5-175.8-126.2 121.8 -17.7 38.3 -2.4 61 69 A F E -bE 14 54A 0 -7,-2.1 -7,-2.7 -2,-0.5 2,-0.5 -0.958 10.2-157.5-111.9 137.7 -17.0 36.1 0.6 62 70 A V E -bE 15 53A 3 -48,-3.1 -46,-3.4 -2,-0.4 2,-0.6 -0.971 5.8-163.3-115.1 117.9 -18.1 32.5 1.0 63 71 A L E -bE 16 52A 0 -11,-2.8 -11,-2.7 -2,-0.5 2,-0.4 -0.928 17.7-179.5-107.0 116.0 -18.3 31.3 4.5 64 72 A S E +bE 17 51A 3 -48,-2.6 -46,-2.7 -2,-0.6 2,-0.3 -0.916 12.6 173.8-124.3 143.6 -18.4 27.5 4.7 65 73 A S E - E 0 50A 7 -15,-2.1 -15,-2.5 -2,-0.4 2,-0.2 -0.967 37.4 -99.8-134.8 158.7 -18.7 24.8 7.4 66 74 A A E - E 0 49A 35 -2,-0.3 -17,-0.2 -48,-0.3 -45,-0.1 -0.504 22.5-156.4 -67.7 143.5 -19.1 21.0 7.5 67 75 A L S S+ 0 0 56 -19,-2.5 -18,-0.1 -2,-0.2 -1,-0.1 0.699 70.0 60.6 -92.1 -21.4 -22.6 19.9 8.2 68 76 A N S > S- 0 0 82 -20,-0.5 3,-0.7 1,-0.1 -2,-0.1 -0.798 88.4 -98.9-111.9 151.3 -21.7 16.4 9.7 69 77 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.265 101.6 18.0 -55.3 145.3 -19.7 15.2 12.6 70 78 A W T 3 S+ 0 0 248 1,-0.2 2,-0.6 2,-0.1 4,-0.0 0.796 70.6 175.0 63.8 34.4 -16.2 14.1 11.9 71 79 A N <> - 0 0 44 -3,-0.7 4,-1.6 1,-0.2 5,-0.4 -0.629 17.9-156.4 -66.6 115.2 -15.6 15.7 8.6 72 80 A K H > S+ 0 0 146 -2,-0.6 4,-2.4 3,-0.2 5,-0.3 0.961 80.9 37.8 -65.7 -54.9 -11.9 14.9 8.0 73 81 A E H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.953 126.4 34.8 -68.2 -48.9 -10.8 17.6 5.6 74 82 A M H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 118.6 52.3 -75.1 -38.2 -12.7 20.5 7.0 75 83 A G H X S+ 0 0 26 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.952 110.7 47.1 -63.8 -46.2 -12.4 19.3 10.6 76 84 A D H X S+ 0 0 84 -4,-2.4 4,-2.5 -5,-0.4 -1,-0.2 0.931 112.6 49.9 -59.5 -44.7 -8.6 19.0 10.4 77 85 A H H X S+ 0 0 9 -4,-1.7 4,-2.7 -5,-0.3 5,-0.4 0.898 110.8 50.6 -62.3 -38.4 -8.3 22.4 8.8 78 86 A L H X S+ 0 0 62 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.923 112.6 44.5 -66.6 -44.1 -10.5 23.9 11.5 79 87 A V H < S+ 0 0 117 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.894 118.5 45.7 -67.8 -39.9 -8.5 22.4 14.4 80 88 A K H < S+ 0 0 86 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.960 132.1 13.1 -64.0 -54.5 -5.2 23.4 12.6 81 89 A H H < S- 0 0 7 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.607 87.4-139.7 -98.7 -22.5 -6.0 27.0 11.6 82 90 A G < - 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0 0 10 -5,-2.8 2,-0.6 -6,-0.2 -1,-0.3 -0.339 50.5-116.8 -64.2 147.4 1.7 23.0 -10.1 108 116 A K - 0 0 132 21,-0.4 21,-2.3 -2,-0.0 2,-0.8 -0.834 21.9-151.3 -86.6 117.0 -0.5 20.6 -8.3 109 117 A I E -G 128 0A 27 -2,-0.6 19,-0.3 19,-0.2 3,-0.2 -0.804 14.3-177.9 -91.3 107.3 -4.0 20.4 -9.8 110 118 A M E S+ 0 0 82 17,-1.6 2,-0.4 -2,-0.8 18,-0.2 0.823 75.8 19.6 -77.5 -33.4 -6.3 19.5 -7.0 111 119 A R E S-G 127 0A 134 16,-1.8 16,-2.3 -3,-0.1 -1,-0.3 -0.954 82.0-131.9-143.9 118.1 -9.4 19.4 -9.2 112 120 A E E - 0 0 98 -2,-0.4 13,-0.1 -3,-0.2 16,-0.0 -0.267 49.9 -71.4 -63.7 155.0 -9.2 19.0 -13.0 113 121 A P E + 0 0 44 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.201 61.5 171.6 -55.4 134.6 -11.4 21.4 -15.0 114 122 A W E -G 125 0A 54 11,-2.2 11,-2.9 -3,-0.1 2,-0.4 -0.946 24.3-133.0-142.0 157.3 -15.1 20.8 -14.8 115 123 A V E -G 124 0A 70 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.955 14.1-167.9-118.1 133.3 -18.2 22.6 -16.0 116 124 A E E -G 123 0A 63 7,-2.8 7,-2.6 -2,-0.4 2,-0.4 -0.903 10.8-164.5-116.5 150.8 -21.4 23.3 -14.0 117 125 A Q E +G 122 0A 137 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.989 17.1 159.4-140.0 142.9 -24.6 24.6 -15.5 118 126 A D E > -G 121 0A 49 3,-2.3 3,-1.7 -2,-0.4 28,-0.0 -0.770 61.7 -74.6-142.9-169.4 -27.9 26.1 -14.5 119 127 A K T 3 S+ 0 0 192 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.644 127.1 58.8 -70.3 -11.6 -30.6 28.1 -16.2 120 128 A F T 3 S- 0 0 83 1,-0.3 25,-2.4 24,-0.0 2,-0.3 0.437 119.1 -90.6 -94.1 -3.0 -28.3 31.2 -16.3 121 129 A G E < -G 118 0A 17 -3,-1.7 -3,-2.3 23,-0.2 2,-0.3 -0.882 52.2 -51.0 130.4-157.7 -25.5 29.6 -18.3 122 130 A K E -GH 117 142A 67 20,-1.6 20,-2.9 -2,-0.3 2,-0.4 -0.858 33.9-165.1-122.2 152.6 -22.3 27.6 -17.7 123 131 A V E -GH 116 141A 0 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.4 -0.995 10.1-149.0-137.8 130.8 -19.3 28.1 -15.6 124 132 A K E -GH 115 140A 32 16,-3.3 16,-3.2 -2,-0.4 2,-0.3 -0.852 20.2-175.7 -99.8 138.3 -15.9 26.3 -15.8 125 133 A F E +GH 114 139A 12 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.3 -0.893 13.7 176.3-128.5 155.8 -13.8 25.7 -12.7 126 134 A A E - 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