==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-NOV-07 3BA1 . COMPND 2 MOLECULE: HYDROXYPHENYLPYRUVATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLENOSTEMON SCUTELLARIOIDES; . AUTHOR V.JANIAK,G.KLEBE,M.PETERSEN,A.HEINE . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.5 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 2 2 1 1 2 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 7 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 E 0 0 230 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.1 31.6 6.2 -13.7 2 3 A A - 0 0 82 1,-0.1 2,-0.4 21,-0.1 21,-0.1 -0.279 360.0-120.7 -75.7 144.8 30.1 4.2 -10.9 3 4 A I - 0 0 33 19,-0.3 21,-3.4 1,-0.1 2,-0.5 -0.697 20.0-125.2 -94.7 127.3 30.3 5.5 -7.4 4 5 A G E -ab 24 45A 2 40,-0.9 42,-2.5 -2,-0.4 43,-1.3 -0.569 28.2-179.9 -79.0 125.8 32.1 3.6 -4.7 5 6 A V E -ab 25 47A 0 19,-2.9 21,-2.9 -2,-0.5 2,-0.7 -0.984 14.7-152.8-124.9 123.2 30.1 2.9 -1.6 6 7 A L E -ab 26 48A 0 41,-2.9 43,-2.8 -2,-0.5 2,-0.5 -0.864 5.8-160.7-100.8 116.4 31.6 1.0 1.4 7 8 A M E -ab 27 49A 0 19,-3.0 21,-2.5 -2,-0.7 22,-0.5 -0.841 6.8-154.3 -94.7 124.0 29.1 -1.0 3.4 8 9 A M - 0 0 17 41,-2.7 42,-0.1 -2,-0.5 -1,-0.1 0.825 64.3 -4.1 -79.0 -31.0 30.7 -1.7 6.8 9 10 A C S S- 0 0 22 40,-0.3 2,-2.0 45,-0.1 3,-0.2 -0.958 83.6 -85.0-156.4 161.0 28.8 -4.8 8.0 10 11 A P + 0 0 84 0, 0.0 3,-0.2 0, 0.0 17,-0.0 -0.344 63.1 146.6 -80.5 71.7 25.9 -7.1 6.8 11 12 A M + 0 0 19 -2,-2.0 2,-0.2 1,-0.2 39,-0.0 0.541 63.9 9.5 -84.0 -16.5 23.0 -5.1 8.2 12 13 A S > - 0 0 20 -3,-0.2 4,-2.3 1,-0.1 -1,-0.2 -0.719 48.7-152.8-172.9 115.3 20.3 -5.7 5.7 13 14 A T H > S+ 0 0 101 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.907 103.2 50.6 -54.8 -47.3 19.9 -8.0 2.7 14 15 A Y H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 110.1 48.3 -60.8 -47.4 17.5 -5.5 1.1 15 16 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 109.6 52.4 -60.8 -40.8 19.8 -2.6 1.6 16 17 A E H X S+ 0 0 41 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.921 111.5 47.9 -57.5 -46.0 22.7 -4.5 0.2 17 18 A Q H X S+ 0 0 108 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.896 112.4 48.3 -62.2 -42.9 20.6 -5.3 -2.9 18 19 A E H X S+ 0 0 14 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.858 114.0 45.8 -71.4 -33.7 19.5 -1.7 -3.3 19 20 A L H >X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 3,-0.6 0.898 110.1 53.9 -72.8 -39.5 23.0 -0.4 -3.0 20 21 A D H 3< S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.3 5,-0.2 0.807 107.0 52.6 -63.4 -34.2 24.4 -3.0 -5.4 21 22 A K H 3< S+ 0 0 154 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.741 122.0 29.8 -68.5 -30.7 21.7 -2.0 -8.1 22 23 A R H << S+ 0 0 97 -4,-0.8 -19,-0.3 -3,-0.6 2,-0.2 0.698 120.4 21.1-104.6 -26.9 22.7 1.7 -7.8 23 24 A F S < S- 0 0 23 -4,-2.6 2,-1.0 -21,-0.1 -19,-0.2 -0.694 87.1 -82.6-133.8 177.8 26.4 2.1 -6.9 24 25 A K E -a 4 0A 105 -21,-3.4 -19,-2.9 -2,-0.2 2,-0.5 -0.841 56.9-154.5 -89.4 98.4 29.7 0.3 -6.9 25 26 A L E -a 5 0A 17 -2,-1.0 2,-0.4 -5,-0.2 -19,-0.2 -0.728 15.7-170.0 -87.0 125.7 29.2 -1.6 -3.6 26 27 A F E -a 6 0A 24 -21,-2.9 -19,-3.0 -2,-0.5 2,-0.8 -0.949 12.9-150.0-107.8 129.5 32.1 -2.8 -1.5 27 28 A R E > -a 7 0A 66 -2,-0.4 3,-1.3 -21,-0.2 4,-0.4 -0.888 9.0-167.4 -99.5 103.2 31.4 -5.1 1.4 28 29 A Y G > S+ 0 0 33 -21,-2.5 3,-1.4 -2,-0.8 -1,-0.2 0.845 81.1 58.6 -61.9 -37.2 34.0 -4.3 4.0 29 30 A W G 3 S+ 0 0 79 -22,-0.5 -1,-0.3 1,-0.3 -21,-0.1 0.573 99.7 58.4 -73.2 -12.8 33.4 -7.4 6.1 30 31 A T G < S+ 0 0 76 -3,-1.3 -1,-0.3 4,-0.0 -2,-0.2 0.561 80.6 101.5 -91.2 -11.1 34.1 -9.8 3.3 31 32 A Q < - 0 0 68 -3,-1.4 3,-0.4 -4,-0.4 6,-0.0 -0.645 57.3-159.6 -80.9 117.7 37.6 -8.5 2.7 32 33 A P S S+ 0 0 133 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.759 91.3 36.8 -66.3 -23.6 40.3 -10.9 4.2 33 34 A A S > S+ 0 0 50 1,-0.1 4,-2.6 2,-0.0 3,-0.2 -0.700 73.9 174.3-127.2 81.7 43.0 -8.1 4.3 34 35 A Q H > S+ 0 0 73 -3,-0.4 4,-2.5 -2,-0.4 5,-0.2 0.858 75.0 50.4 -62.9 -36.0 41.0 -5.0 5.1 35 36 A R H > S+ 0 0 152 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 111.6 49.3 -74.8 -34.1 43.8 -2.5 5.4 36 37 A D H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 111.3 52.3 -58.3 -46.2 45.2 -3.6 2.0 37 38 A F H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.942 106.2 50.5 -60.3 -49.1 41.8 -3.2 0.7 38 39 A L H X S+ 0 0 8 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.909 111.3 50.0 -61.2 -36.0 41.4 0.4 2.0 39 40 A A H >< S+ 0 0 74 -4,-1.9 3,-0.9 -5,-0.2 4,-0.3 0.946 110.8 49.3 -60.0 -47.9 44.7 1.3 0.5 40 41 A L H 3< S+ 0 0 120 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.850 120.6 36.3 -59.1 -37.6 43.6 -0.2 -2.9 41 42 A Q H >X S+ 0 0 39 -4,-2.3 3,-1.7 -5,-0.2 4,-1.4 0.304 78.8 113.2-107.7 15.9 40.3 1.6 -2.8 42 43 A A T << S+ 0 0 20 -3,-0.9 24,-0.8 -4,-0.5 -1,-0.2 0.833 85.7 42.5 -53.9 -39.2 41.3 5.0 -1.2 43 44 A E T 34 S+ 0 0 134 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.519 114.5 51.2 -85.9 -4.8 40.6 6.8 -4.5 44 45 A S T <4 S+ 0 0 49 -3,-1.7 -40,-0.9 -41,-0.1 2,-0.6 0.621 84.3 88.9-107.5 -17.3 37.3 5.0 -5.3 45 46 A I E < +b 4 0A 0 -4,-1.4 21,-0.3 1,-0.2 -40,-0.2 -0.722 33.7 159.7 -96.1 121.7 35.2 5.2 -2.1 46 47 A R E + 0 0 84 -42,-2.5 22,-2.7 -2,-0.6 23,-1.0 0.509 64.9 34.6-112.8 -8.8 33.0 8.3 -1.9 47 48 A A E -bc 5 69A 0 -43,-1.3 -41,-2.9 20,-0.2 2,-0.4 -0.989 57.6-155.2-148.2 148.3 30.4 7.0 0.7 48 49 A V E -bc 6 70A 0 21,-1.8 23,-2.7 -2,-0.3 2,-0.5 -0.975 7.0-157.6-120.9 135.8 30.3 4.8 3.8 49 50 A V E +bc 7 71A 0 -43,-2.8 -41,-2.7 -2,-0.4 -40,-0.3 -0.983 26.5 164.8-113.0 121.4 27.1 3.0 4.9 50 51 A G E - c 0 72A 0 21,-1.2 23,-3.2 -2,-0.5 5,-0.2 -0.621 19.5-163.6-121.2-178.8 27.2 2.1 8.7 51 52 A N - 0 0 18 3,-2.3 23,-0.2 21,-0.2 3,-0.1 -0.743 52.6 -66.9-150.9-159.9 24.9 1.0 11.4 52 53 A S S S+ 0 0 19 21,-0.4 3,-0.1 1,-0.2 22,-0.1 0.679 131.0 46.9 -79.4 -11.2 25.0 0.9 15.2 53 54 A N S S+ 0 0 80 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.752 123.0 21.7 -99.6 -27.3 27.6 -1.8 15.2 54 55 A A S S+ 0 0 25 -3,-0.1 -3,-2.3 -45,-0.1 -1,-0.3 -0.961 70.1 143.8-146.6 121.8 30.1 -0.4 12.6 55 56 A G - 0 0 12 -2,-0.3 2,-0.3 24,-0.3 25,-0.2 0.097 54.0 -67.0-122.7-126.3 30.4 3.3 11.6 56 57 A A B -f 80 0B 0 23,-1.7 25,-2.6 -8,-0.1 29,-0.1 -0.875 44.1-175.1-147.6 104.4 33.2 5.6 10.6 57 58 A D > - 0 0 92 -2,-0.3 4,-2.2 23,-0.2 3,-0.2 -0.357 46.3 -88.3 -93.3 179.8 35.9 6.6 13.1 58 59 A A H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.851 124.9 53.5 -59.9 -36.8 38.7 9.1 12.6 59 60 A E H > S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 109.3 47.3 -68.7 -37.5 41.1 6.5 11.2 60 61 A L H > S+ 0 0 13 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.931 111.3 51.0 -67.7 -41.0 38.7 5.3 8.6 61 62 A I H >< S+ 0 0 5 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.928 110.2 50.0 -61.8 -42.7 37.8 8.8 7.5 62 63 A D H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.799 108.5 54.2 -63.5 -31.4 41.6 9.5 7.2 63 64 A A H 3< S+ 0 0 30 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.594 104.6 57.2 -79.4 -8.4 41.9 6.4 5.1 64 65 A L X< + 0 0 2 -3,-1.2 3,-2.4 -4,-0.6 -1,-0.2 -0.698 61.6 172.0-124.4 71.7 39.2 7.5 2.7 65 66 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.744 79.4 51.4 -64.2 -18.1 40.4 10.8 1.3 66 67 A K T 3 S+ 0 0 89 -24,-0.8 2,-0.1 -21,-0.3 -23,-0.1 0.326 79.4 135.2 -98.3 9.7 37.6 11.0 -1.2 67 68 A L < + 0 0 14 -3,-2.4 -20,-0.2 -6,-0.3 -21,-0.2 -0.386 20.2 165.3 -57.7 130.7 34.9 10.3 1.4 68 69 A E + 0 0 63 -22,-2.7 23,-2.5 1,-0.4 2,-0.3 0.627 58.9 16.3-118.3 -23.9 31.9 12.7 0.9 69 70 A I E -cd 47 91A 0 -23,-1.0 -21,-1.8 21,-0.2 2,-0.5 -0.988 48.0-156.3-159.0 138.9 29.1 11.2 3.0 70 71 A V E -cd 48 92A 0 21,-2.8 23,-2.2 -2,-0.3 2,-0.6 -0.995 17.9-168.4-115.5 114.5 28.5 8.7 5.8 71 72 A S E -cd 49 93A 0 -23,-2.7 -21,-1.2 -2,-0.5 2,-0.4 -0.958 9.6-153.4-108.4 113.9 24.9 7.4 5.7 72 73 A S E -c 50 0A 2 21,-2.9 2,-1.4 -2,-0.6 -21,-0.2 -0.740 17.4-145.8 -96.7 136.4 24.0 5.4 8.8 73 74 A F S S+ 0 0 8 -23,-3.2 -21,-0.4 -2,-0.4 2,-0.3 -0.579 81.7 62.5 -89.1 63.2 21.3 2.7 8.9 74 75 A S S S- 0 0 5 -2,-1.4 21,-2.1 -23,-0.2 -2,-0.1 -0.934 79.7-126.2-174.2 159.7 20.4 3.8 12.5 75 76 A V S S+ 0 0 52 -2,-0.3 -1,-0.1 19,-0.2 2,-0.1 0.840 93.3 76.8 -86.2 -38.1 19.1 6.8 14.4 76 77 A G - 0 0 18 1,-0.1 3,-0.1 19,-0.1 19,-0.1 -0.338 56.2-173.1 -72.7 151.4 22.1 6.6 16.7 77 78 A L > + 0 0 28 127,-0.1 3,-2.0 1,-0.1 5,-0.2 0.106 44.8 121.1-130.2 26.2 25.5 7.9 15.6 78 79 A D T 3 S+ 0 0 58 1,-0.3 -1,-0.1 3,-0.1 -23,-0.1 0.699 77.2 56.1 -63.7 -15.5 27.8 6.9 18.4 79 80 A K T 3 S+ 0 0 95 -3,-0.1 -23,-1.7 -28,-0.1 2,-0.5 0.397 95.7 79.5 -99.9 5.2 29.9 4.9 15.9 80 81 A V B < S-f 56 0B 11 -3,-2.0 2,-1.5 -25,-0.2 -23,-0.2 -0.943 78.3-134.6-112.4 132.7 30.4 7.9 13.7 81 82 A D > + 0 0 54 -25,-2.6 4,-2.4 -2,-0.5 5,-0.1 -0.658 28.1 177.1 -83.4 91.7 33.0 10.6 14.5 82 83 A L H > S+ 0 0 56 -2,-1.5 4,-2.7 2,-0.2 5,-0.2 0.864 76.5 55.5 -62.7 -37.2 30.9 13.6 13.8 83 84 A I H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.956 110.4 45.5 -64.1 -45.1 33.6 16.0 14.9 84 85 A K H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 111.2 52.2 -64.9 -42.0 36.0 14.5 12.4 85 86 A C H X>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 4,-0.6 0.933 110.8 47.8 -59.2 -45.6 33.3 14.5 9.6 86 87 A E H ><5S+ 0 0 132 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.937 109.9 53.2 -60.8 -47.4 32.6 18.2 10.1 87 88 A E H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.852 115.1 41.5 -55.2 -36.9 36.3 18.9 10.1 88 89 A K H 3<5S- 0 0 117 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.402 113.7-109.2 -95.1 1.8 36.7 17.1 6.8 89 90 A G T <<5 + 0 0 64 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.782 67.4 150.6 76.6 20.6 33.6 18.4 5.0 90 91 A V < - 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