==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-NOV-07 3BAZ . COMPND 2 MOLECULE: HYDROXYPHENYLPYRUVATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLENOSTEMON SCUTELLARIOIDES; . AUTHOR V.JANIAK,G.KLEBE,M.PETERSEN,A.HEINE . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 2 0.6 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 . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.0 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 3 1 2 2 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 . 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 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 3 A A 0 0 121 0, 0.0 2,-0.4 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 148.7 22.7 18.8 -45.4 2 4 A I - 0 0 33 19,-0.4 21,-3.7 1,-0.1 2,-0.6 -0.636 360.0-122.6 -78.0 132.1 25.5 17.6 -43.2 3 5 A G E -ab 23 44A 1 40,-1.4 42,-2.6 -2,-0.4 43,-1.3 -0.665 29.4-173.4 -80.9 119.4 24.6 14.5 -41.3 4 6 A V E -ab 24 46A 0 19,-3.4 21,-3.9 -2,-0.6 2,-0.7 -0.965 11.2-151.9-115.4 119.4 24.9 14.8 -37.6 5 7 A L E -ab 25 47A 0 41,-2.8 43,-2.9 -2,-0.5 2,-0.5 -0.836 5.5-162.6 -97.5 114.2 24.4 11.7 -35.4 6 8 A M E -ab 26 48A 0 19,-2.9 21,-1.6 -2,-0.7 22,-0.6 -0.828 8.4-152.4 -93.4 124.3 23.1 12.5 -31.9 7 9 A M - 0 0 14 41,-2.4 -1,-0.1 -2,-0.5 42,-0.1 0.830 65.4 -5.0 -76.8 -32.4 23.8 9.5 -29.7 8 10 A C S S- 0 0 12 40,-0.3 2,-2.2 45,-0.1 3,-0.2 -0.970 86.0 -78.4-157.3 166.4 21.0 9.8 -27.1 9 11 A P + 0 0 87 0, 0.0 3,-0.2 0, 0.0 17,-0.0 -0.400 66.8 142.0 -75.3 83.0 18.2 12.1 -26.0 10 12 A M + 0 0 19 -2,-2.2 2,-0.2 1,-0.2 39,-0.0 0.724 65.4 8.9 -96.5 -19.8 20.2 14.7 -24.2 11 13 A S > - 0 0 16 -3,-0.2 4,-3.3 1,-0.1 -1,-0.2 -0.688 43.9-160.8-169.2 108.3 18.6 18.0 -25.0 12 14 A T H > S+ 0 0 115 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.871 104.3 51.5 -55.0 -40.4 15.4 19.0 -26.8 13 15 A Y H > S+ 0 0 64 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.933 110.0 48.3 -65.1 -39.5 16.8 22.4 -27.3 14 16 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.949 109.0 53.4 -67.5 -44.1 20.0 20.9 -28.8 15 17 A E H X S+ 0 0 32 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.937 112.0 46.8 -47.8 -50.6 17.8 18.6 -31.0 16 18 A Q H X S+ 0 0 116 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.969 112.9 46.7 -58.8 -54.3 16.1 21.8 -32.2 17 19 A E H < S+ 0 0 20 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.860 116.1 45.6 -62.0 -34.1 19.3 23.8 -32.8 18 20 A L H >X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 3,-1.5 0.931 108.7 55.6 -71.6 -45.0 21.0 20.9 -34.6 19 21 A D H 3< S+ 0 0 92 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.726 104.3 53.9 -63.0 -21.8 18.0 20.1 -36.8 20 22 A K T 3< S+ 0 0 137 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.672 119.2 31.9 -91.5 -8.6 17.8 23.6 -38.2 21 23 A R T <4 S+ 0 0 90 -3,-1.5 -19,-0.4 -4,-0.4 2,-0.2 0.613 124.9 14.0-114.1 -23.1 21.4 23.7 -39.3 22 24 A F S < S- 0 0 17 -4,-2.5 2,-1.1 -21,-0.1 -19,-0.2 -0.770 87.8 -78.7-137.4-178.1 22.1 20.0 -40.3 23 25 A K E -a 3 0A 100 -21,-3.7 -19,-3.4 -2,-0.2 2,-0.5 -0.785 52.9-152.5 -86.5 101.2 20.7 16.7 -41.1 24 26 A L E -a 4 0A 4 -2,-1.1 2,-0.5 -21,-0.2 -19,-0.2 -0.604 10.0-164.8 -77.9 125.4 20.0 15.5 -37.5 25 27 A F E -a 5 0A 20 -21,-3.9 -19,-2.9 -2,-0.5 2,-1.0 -0.948 11.3-147.9-110.4 132.2 20.1 11.7 -37.0 26 28 A R E > -a 6 0A 84 -2,-0.5 3,-2.5 -21,-0.2 -19,-0.1 -0.742 14.1-176.2-103.2 87.2 18.7 10.2 -33.8 27 29 A Y G > S+ 0 0 40 -21,-1.6 3,-1.4 -2,-1.0 -1,-0.2 0.832 78.2 62.2 -47.6 -42.0 20.8 7.2 -33.1 28 30 A W G 3 S+ 0 0 73 -22,-0.6 -1,-0.3 1,-0.3 -21,-0.1 0.641 95.8 61.5 -70.1 -12.3 18.7 6.1 -30.1 29 31 A T G < S+ 0 0 74 -3,-2.5 -1,-0.3 4,-0.0 -2,-0.2 0.012 81.2 95.8-105.9 34.5 15.6 5.7 -32.2 30 32 A Q < - 0 0 55 -3,-1.4 3,-0.3 1,-0.2 6,-0.0 -0.976 55.8-160.6-122.5 123.2 17.0 3.0 -34.5 31 33 A P S S+ 0 0 134 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.949 90.7 40.2 -64.5 -52.7 16.1 -0.7 -33.6 32 34 A A S > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.1 3,-0.2 -0.763 74.6 175.6 -98.1 87.9 18.9 -2.2 -35.7 33 35 A Q H > S+ 0 0 67 -2,-1.0 4,-3.0 -3,-0.3 -1,-0.2 0.918 70.5 55.0 -66.8 -46.3 21.8 0.2 -35.0 34 36 A R H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 112.2 44.8 -54.6 -42.9 24.6 -1.5 -36.9 35 37 A D H > S+ 0 0 112 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.917 110.8 53.8 -66.6 -47.0 22.6 -1.6 -40.1 36 38 A F H X S+ 0 0 17 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.939 109.9 49.1 -47.7 -53.6 21.5 2.0 -39.7 37 39 A L H >X S+ 0 0 11 -4,-3.0 4,-1.4 1,-0.2 3,-0.5 0.955 112.3 46.0 -49.9 -62.9 25.1 2.9 -39.3 38 40 A A H 3< S+ 0 0 78 -4,-2.5 3,-0.3 1,-0.3 4,-0.3 0.855 114.8 51.3 -48.8 -41.0 26.1 1.0 -42.4 39 41 A L H 3< S+ 0 0 130 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.847 120.7 28.7 -73.0 -33.3 23.1 2.6 -44.1 40 42 A Q H XX S+ 0 0 56 -4,-2.9 4,-1.8 -3,-0.5 3,-1.7 0.311 84.8 108.8-112.3 13.1 23.8 6.2 -43.3 41 43 A A T 3< S+ 0 0 16 -4,-1.4 24,-0.4 -3,-0.3 -1,-0.2 0.836 74.1 60.6 -54.0 -35.9 27.6 6.1 -43.0 42 44 A E T 34 S+ 0 0 168 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.707 113.0 37.4 -69.3 -18.5 28.0 8.1 -46.2 43 45 A S T <4 S+ 0 0 35 -3,-1.7 -40,-1.4 -41,-0.1 2,-0.7 0.672 90.0 95.2-103.5 -30.6 26.1 11.0 -44.7 44 46 A I E < +b 3 0A 0 -4,-1.8 21,-0.3 1,-0.2 -40,-0.2 -0.567 33.3 152.5 -75.3 110.2 27.2 11.1 -41.1 45 47 A R E + 0 0 88 -42,-2.6 22,-1.6 -2,-0.7 23,-0.9 0.384 62.0 42.7-116.6 -2.1 30.1 13.6 -40.8 46 48 A A E -bc 4 68A 0 -43,-1.3 -41,-2.8 21,-0.2 2,-0.4 -0.998 60.6-155.8-144.2 145.6 29.6 14.6 -37.1 47 49 A V E -bc 5 69A 0 21,-2.9 23,-3.0 -2,-0.3 2,-0.5 -0.985 2.8-163.7-122.8 134.9 28.8 12.9 -33.9 48 50 A V E +bc 6 70A 0 -43,-2.9 -41,-2.4 -2,-0.4 -40,-0.3 -0.963 26.3 160.4-113.2 118.8 27.2 14.6 -30.9 49 51 A G E - c 0 71A 0 21,-1.1 23,-3.2 -2,-0.5 5,-0.3 -0.567 19.7-165.5-123.7-171.1 27.7 12.6 -27.7 50 52 A N - 0 0 23 3,-2.1 23,-0.2 21,-0.2 28,-0.1 -0.791 51.3 -62.5-157.9-157.5 27.6 13.1 -24.0 51 53 A S S S+ 0 0 31 21,-0.4 3,-0.1 -2,-0.2 22,-0.1 0.535 130.5 45.5 -82.4 -8.8 28.6 11.3 -20.8 52 54 A N S S+ 0 0 100 1,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.762 126.9 17.7 -97.3 -38.7 26.3 8.3 -21.5 53 55 A A + 0 0 23 -45,-0.0 -3,-2.1 2,-0.0 -1,-0.3 -0.914 69.6 148.1-142.5 118.3 27.2 7.8 -25.1 54 56 A G - 0 0 8 -2,-0.4 2,-0.3 24,-0.3 25,-0.3 0.386 57.0 -65.7-110.9-119.9 30.2 9.1 -26.9 55 57 A A B -f 79 0B 0 23,-2.1 25,-2.4 14,-0.1 29,-0.1 -0.788 48.8-173.6-147.8 98.6 32.2 7.6 -29.8 56 58 A D > - 0 0 79 -2,-0.3 4,-3.0 23,-0.2 5,-0.2 -0.335 43.4 -92.2 -89.4 172.8 34.1 4.4 -29.2 57 59 A A H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 124.8 48.7 -47.0 -54.8 36.5 2.6 -31.6 58 60 A E H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 112.8 46.4 -59.2 -48.1 33.8 0.5 -33.1 59 61 A L H > S+ 0 0 10 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.965 112.2 50.9 -62.8 -45.0 31.4 3.3 -33.7 60 62 A I H >< S+ 0 0 1 -4,-3.0 3,-0.8 1,-0.3 6,-0.3 0.903 110.0 50.7 -59.7 -39.5 34.2 5.5 -35.2 61 63 A D H 3< S+ 0 0 81 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.797 107.6 52.3 -64.6 -33.2 35.1 2.6 -37.5 62 64 A A H 3< S+ 0 0 36 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.554 105.8 60.3 -79.7 -6.0 31.5 2.2 -38.6 63 65 A L X< + 0 0 1 -3,-0.8 3,-2.4 -4,-0.8 -1,-0.2 -0.576 63.2 166.1-119.5 65.9 31.5 6.0 -39.4 64 66 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.567 75.2 53.1 -70.7 -6.6 34.2 6.3 -42.0 65 67 A K T 3 S+ 0 0 125 -24,-0.4 -23,-0.0 -21,-0.3 -2,-0.0 0.390 79.2 136.1-104.7 8.4 33.2 9.8 -43.0 66 68 A L < + 0 0 11 -3,-2.4 -20,-0.2 -6,-0.3 -21,-0.2 -0.261 20.7 166.3 -58.1 129.5 33.4 11.0 -39.4 67 69 A E + 0 0 63 -22,-1.6 23,-3.0 1,-0.3 2,-0.3 0.638 60.3 16.4-114.9 -32.5 35.1 14.4 -39.1 68 70 A I E -cd 46 90A 0 -23,-0.9 -21,-2.9 21,-0.2 2,-0.5 -0.983 46.2-157.5-154.3 141.0 34.2 15.6 -35.6 69 71 A V E -cd 47 91A 0 21,-2.4 23,-2.2 -2,-0.3 2,-0.6 -0.983 17.6-171.4-110.7 114.4 32.9 14.4 -32.3 70 72 A S E -cd 48 92A 0 -23,-3.0 -21,-1.1 -2,-0.5 2,-0.4 -0.958 15.1-147.2-110.5 109.5 31.4 17.4 -30.4 71 73 A S E -c 49 0A 1 21,-2.6 2,-1.4 -2,-0.6 -21,-0.2 -0.700 15.3-146.3 -88.0 129.6 30.6 16.3 -26.8 72 74 A F S S+ 0 0 8 -23,-3.2 -21,-0.4 -2,-0.4 2,-0.3 -0.462 84.2 57.8 -78.8 51.3 27.7 17.7 -24.9 73 75 A S S S- 0 0 8 -2,-1.4 21,-1.6 -23,-0.2 -2,-0.2 -0.958 78.3-128.0-173.5 156.8 29.9 17.3 -21.8 74 76 A V S S+ 0 0 33 -2,-0.3 -1,-0.1 19,-0.3 -3,-0.1 0.936 90.2 82.4 -80.7 -45.2 33.2 18.2 -20.3 75 77 A G - 0 0 18 1,-0.1 19,-0.1 19,-0.1 3,-0.1 -0.156 56.5-173.5 -54.5 146.6 34.1 14.6 -19.5 76 78 A L > + 0 0 33 127,-0.2 3,-2.4 1,-0.1 5,-0.2 0.297 49.6 111.7-129.5 8.7 35.6 12.7 -22.5 77 79 A D T 3 S+ 0 0 54 1,-0.3 -1,-0.1 3,-0.1 -23,-0.1 0.510 75.9 59.2 -68.7 -7.3 35.9 9.2 -21.2 78 80 A K T 3 S+ 0 0 96 -28,-0.1 -23,-2.1 -3,-0.1 2,-0.5 0.281 95.3 79.8 -99.5 2.1 33.1 8.1 -23.6 79 81 A V B < S-f 55 0B 11 -3,-2.4 2,-1.3 -25,-0.3 -23,-0.2 -0.962 77.4-138.2-115.9 129.9 35.2 9.2 -26.5 80 82 A D > - 0 0 55 -25,-2.4 4,-1.9 -2,-0.5 5,-0.1 -0.713 24.6-179.3 -79.5 90.8 38.1 7.2 -27.9 81 83 A L H > S+ 0 0 56 -2,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.793 76.8 51.4 -66.2 -34.2 40.6 10.0 -28.4 82 84 A I H > S+ 0 0 106 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.945 112.3 45.2 -68.2 -51.4 43.4 7.8 -29.8 83 85 A K H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 6,-0.2 0.881 110.5 57.7 -57.3 -37.5 41.1 6.2 -32.4 84 86 A C H <>S+ 0 0 0 -4,-1.9 5,-3.1 1,-0.2 4,-0.3 0.956 108.1 44.6 -63.5 -45.0 39.9 9.7 -33.0 85 87 A E H ><5S+ 0 0 141 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.913 109.8 54.9 -66.7 -40.7 43.4 10.9 -33.9 86 88 A E H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.894 113.2 42.5 -60.1 -34.3 44.2 7.9 -36.0 87 89 A K T 3<5S- 0 0 89 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.356 117.5-108.6 -97.5 12.3 41.1 8.5 -38.2 88 90 A G T < 5 + 0 0 59 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.703 64.3 154.3 80.0 20.3 41.5 12.3 -38.4 89 91 A V < - 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