==== 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 30-MAY-01 1JA9 . COMPND 2 MOLECULE: 1,3,6,8-TETRAHYDROXYNAPHTHALENE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MAGNAPORTHE GRISEA; . AUTHOR D.-I.LIAO,J.E.THOMPSON,S.FAHNESTOCK,B.VALENT,D.B.JORDAN . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 0 1 1 2 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 24 A S 0 0 140 0, 0.0 3,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 34.4 71.6 27.2 2.9 2 25 A K > + 0 0 110 1,-0.1 3,-1.8 28,-0.1 27,-0.1 -0.520 360.0 156.3-129.0 63.8 70.6 24.9 5.8 3 26 A P T 3 S+ 0 0 72 0, 0.0 239,-0.2 0, 0.0 27,-0.1 0.762 79.7 50.3 -61.2 -24.8 70.7 21.3 4.6 4 27 A L T > S+ 0 0 4 25,-2.3 3,-2.1 22,-0.2 28,-0.2 0.178 78.5 147.7 -99.6 15.6 71.2 20.1 8.2 5 28 A A T < + 0 0 62 -3,-1.8 26,-0.2 24,-0.3 3,-0.1 -0.208 69.1 16.1 -54.3 135.0 68.3 22.0 9.6 6 29 A G T 3 S+ 0 0 70 24,-0.8 -1,-0.3 1,-0.3 2,-0.2 0.424 99.8 119.0 82.6 -3.2 66.6 20.2 12.5 7 30 A K < - 0 0 46 -3,-2.1 25,-2.4 23,-0.1 2,-0.5 -0.635 54.8-139.9 -95.1 157.4 69.5 17.8 13.1 8 31 A V E -a 32 0A 8 -2,-0.2 78,-2.8 23,-0.2 79,-2.5 -0.973 17.7-170.2-120.5 128.7 71.6 17.4 16.2 9 32 A A E -ab 33 87A 1 23,-2.9 25,-3.0 -2,-0.5 2,-0.4 -0.889 10.8-160.1-117.3 147.6 75.4 16.9 16.1 10 33 A L E -ab 34 88A 0 77,-2.3 79,-3.2 -2,-0.3 2,-0.4 -0.997 10.9-172.3-125.2 127.7 77.9 16.0 18.8 11 34 A T E > -ab 35 89A 0 23,-2.4 25,-2.2 -2,-0.4 3,-0.7 -0.993 16.6-140.0-124.5 122.1 81.6 16.8 18.2 12 35 A T T 3 S+ 0 0 0 77,-2.5 79,-0.2 -2,-0.4 25,-0.1 -0.642 88.0 11.3 -80.2 139.5 84.3 15.6 20.6 13 36 A G T > S+ 0 0 19 -2,-0.3 3,-0.5 78,-0.1 6,-0.4 0.908 80.8 149.4 60.9 46.8 87.1 18.1 21.2 14 37 A A T < + 0 0 0 22,-2.3 23,-0.2 -3,-0.7 10,-0.1 0.395 42.3 90.7 -93.4 2.8 85.2 20.9 19.5 15 38 A G T 3 S- 0 0 3 21,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.761 101.7 -7.1 -71.2 -22.6 86.6 23.8 21.6 16 39 A R S X> S+ 0 0 129 -3,-0.5 4,-1.2 31,-0.0 3,-0.6 -0.937 106.1 22.1-159.5 175.8 89.5 24.4 19.1 17 40 A G H 3> S- 0 0 22 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.217 118.5 -16.4 62.2-145.9 91.3 23.1 16.0 18 41 A I H 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 135.6 59.8 -60.2 -40.8 89.5 20.8 13.6 19 42 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.4 -5,-0.3 0.899 106.7 46.7 -55.6 -46.0 86.8 20.0 16.1 20 43 A R H X S+ 0 0 75 -4,-1.2 4,-2.7 -7,-0.3 -1,-0.2 0.918 110.7 52.0 -63.5 -43.1 85.8 23.7 16.3 21 44 A G H X S+ 0 0 4 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.875 111.5 47.6 -62.5 -36.3 85.9 24.0 12.5 22 45 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.931 111.1 50.3 -70.1 -45.1 83.6 21.0 12.1 23 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 113.1 47.3 -58.1 -45.5 81.2 22.3 14.8 24 47 A I H X S+ 0 0 13 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.922 112.1 47.3 -66.6 -42.6 81.0 25.7 13.1 25 48 A E H X S+ 0 0 9 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.873 113.5 48.5 -69.5 -32.8 80.4 24.4 9.6 26 49 A L H <>S+ 0 0 1 -4,-2.4 5,-2.0 2,-0.2 3,-0.3 0.926 114.6 45.8 -69.1 -43.8 77.7 22.0 10.8 27 50 A G H ><5S+ 0 0 2 -4,-2.4 3,-2.2 -5,-0.2 -2,-0.2 0.893 105.1 60.1 -66.2 -38.9 76.0 24.8 12.7 28 51 A R H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.5 49.4 -57.8 -28.7 76.4 27.2 9.8 29 52 A R T 3<5S- 0 0 54 -4,-1.0 -25,-2.3 -3,-0.3 -24,-0.3 0.193 132.5 -84.7 -96.9 13.7 74.2 24.6 7.9 30 53 A G T < 5S+ 0 0 22 -3,-2.2 -24,-0.8 1,-0.3 -3,-0.2 0.212 81.4 132.5 110.8 -18.4 71.5 24.2 10.5 31 54 A A < - 0 0 1 -5,-2.0 2,-0.4 -26,-0.2 -1,-0.3 -0.373 52.6-132.5 -73.8 144.3 72.6 21.7 13.0 32 55 A S E -a 8 0A 25 -25,-2.4 -23,-2.9 -28,-0.2 2,-0.4 -0.803 35.2-146.3 -84.6 141.5 72.4 22.2 16.8 33 56 A V E -ac 9 58A 0 24,-2.7 26,-1.7 -2,-0.4 2,-0.8 -0.943 21.1-150.6-127.3 132.9 75.8 21.2 18.1 34 57 A V E -ac 10 59A 0 -25,-3.0 -23,-2.4 -2,-0.4 2,-1.0 -0.848 22.1-155.3 -92.5 113.3 77.1 19.7 21.3 35 58 A V E -ac 11 60A 0 24,-3.1 26,-2.2 -2,-0.8 2,-0.2 -0.819 11.9-165.7 -92.9 96.2 80.5 21.1 21.7 36 59 A N E + c 0 61A 0 -25,-2.2 -22,-2.3 -2,-1.0 -21,-0.6 -0.576 9.5 178.0 -82.5 149.5 82.5 18.6 23.9 37 60 A Y E - c 0 62A 39 24,-1.3 26,-2.2 -2,-0.2 4,-0.1 -0.977 27.3-152.1-147.7 151.3 85.8 19.7 25.4 38 61 A G S S- 0 0 40 -2,-0.3 -1,-0.1 24,-0.2 3,-0.1 0.877 89.4 -26.3 -88.5 -54.9 88.2 18.0 27.7 39 62 A S S S+ 0 0 110 23,-0.1 2,-2.1 1,-0.1 3,-0.3 0.484 110.4 96.9-139.2 -8.8 89.7 20.9 29.5 40 63 A S > + 0 0 37 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.417 39.9 155.6 -85.9 69.0 89.3 23.9 27.2 41 64 A S H > S+ 0 0 58 -2,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.904 70.5 50.0 -61.0 -43.7 86.1 25.3 28.8 42 65 A K H > S+ 0 0 180 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.892 110.9 48.2 -65.8 -37.5 86.7 28.8 27.7 43 66 A A H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 110.1 53.9 -67.9 -40.0 87.4 27.9 24.0 44 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.923 108.1 47.3 -60.8 -45.9 84.3 25.7 24.0 45 68 A E H X S+ 0 0 103 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.871 108.7 57.1 -64.9 -30.9 82.0 28.5 25.2 46 69 A E H X S+ 0 0 75 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.862 106.9 48.2 -63.6 -39.7 83.6 30.8 22.6 47 70 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 -3,-0.3 -2,-0.2 0.891 109.2 52.0 -68.3 -41.6 82.5 28.2 20.0 48 71 A V H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.898 111.3 49.1 -60.8 -38.2 79.0 28.1 21.4 49 72 A A H X S+ 0 0 59 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.893 109.6 50.1 -68.2 -43.3 79.0 31.9 21.1 50 73 A E H X S+ 0 0 52 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.894 109.7 52.5 -62.7 -38.9 80.3 31.7 17.5 51 74 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-1.0 0.947 107.1 51.7 -61.3 -46.9 77.5 29.3 16.7 52 75 A K H ><5S+ 0 0 165 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.905 105.0 55.2 -56.6 -42.2 74.9 31.7 18.2 53 76 A K H 3<5S+ 0 0 199 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.785 108.2 50.3 -63.6 -24.7 76.2 34.5 16.0 54 77 A L T <<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.296 123.9-107.6 -91.4 1.9 75.6 32.1 13.0 55 78 A G T < 5S+ 0 0 61 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.614 79.1 129.2 81.5 13.4 72.1 31.5 14.3 56 79 A A < - 0 0 8 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.739 56.5-124.9-102.4 151.5 72.9 27.9 15.4 57 80 A Q + 0 0 117 -2,-0.3 -24,-2.7 -27,-0.2 2,-0.3 -0.687 37.4 163.3 -91.7 145.1 72.2 26.4 18.8 58 81 A G E -c 33 0A 19 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.976 22.5-161.1-155.4 164.0 75.0 24.9 20.8 59 82 A V E -c 34 0A 27 -26,-1.7 -24,-3.1 -2,-0.3 2,-0.5 -0.961 18.7-133.7-152.7 133.8 76.0 23.7 24.3 60 83 A A E +c 35 0A 15 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.787 26.3 179.8 -89.9 126.6 79.5 23.1 25.8 61 84 A I E -c 36 0A 17 -26,-2.2 -24,-1.3 -2,-0.5 2,-0.2 -0.971 19.6-138.7-133.5 118.6 79.7 19.8 27.7 62 85 A Q E +c 37 0A 76 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.502 34.2 151.4 -74.7 140.3 82.9 18.7 29.4 63 86 A A - 0 0 2 -26,-2.2 2,-0.9 -2,-0.2 -2,-0.1 -0.843 44.8-127.8-168.8 131.2 84.0 15.0 29.2 64 87 A D > - 0 0 50 -2,-0.3 3,-1.8 1,-0.2 6,-0.3 -0.769 21.3-161.2 -84.6 105.4 87.3 13.3 29.3 65 88 A I T 3 S+ 0 0 6 -2,-0.9 -1,-0.2 1,-0.3 56,-0.1 0.706 84.5 68.2 -64.1 -19.8 87.2 11.2 26.1 66 89 A S T 3 S+ 0 0 28 1,-0.1 -1,-0.3 52,-0.1 51,-0.1 0.497 92.3 70.5 -76.9 -2.1 90.0 8.9 27.3 67 90 A K S X> S- 0 0 103 -3,-1.8 4,-1.2 1,-0.1 3,-1.1 -0.945 72.6-154.3-119.3 108.5 87.6 7.6 30.1 68 91 A P H 3> S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.832 93.2 56.8 -49.6 -40.3 84.7 5.4 28.7 69 92 A S H 3> S+ 0 0 94 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.853 107.3 50.1 -64.4 -31.3 82.3 6.2 31.6 70 93 A E H <> S+ 0 0 54 -3,-1.1 4,-2.3 -6,-0.3 -1,-0.3 0.751 106.3 55.0 -75.9 -27.0 82.7 9.9 30.8 71 94 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.924 109.2 47.9 -70.9 -40.8 81.9 9.3 27.1 72 95 A V H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.931 112.8 48.5 -63.4 -42.3 78.7 7.6 28.2 73 96 A A H X S+ 0 0 33 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.898 106.9 56.6 -62.8 -44.2 77.9 10.5 30.5 74 97 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.920 109.9 44.9 -53.5 -48.3 78.6 13.0 27.7 75 98 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.899 109.8 54.1 -66.0 -40.8 76.0 11.3 25.5 76 99 A D H X S+ 0 0 79 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.923 113.4 43.8 -58.3 -44.0 73.4 11.1 28.3 77 100 A K H X S+ 0 0 110 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.892 111.7 52.4 -68.0 -43.1 73.8 14.8 28.8 78 101 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 6,-0.3 0.938 112.9 44.9 -59.9 -45.6 73.7 15.6 25.1 79 102 A V H X S+ 0 0 38 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.888 111.7 53.3 -66.1 -36.8 70.5 13.6 24.7 80 103 A S H < S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.897 114.4 42.8 -64.5 -35.5 69.1 15.3 27.8 81 104 A H H < S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.890 130.4 19.6 -79.8 -43.0 69.8 18.7 26.4 82 105 A F H < S- 0 0 48 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.359 98.6-120.8-110.9 -0.3 68.7 18.4 22.7 83 106 A G S < S- 0 0 57 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.2 0.377 78.6 -1.6 79.7 -0.6 66.4 15.4 22.9 84 107 A G - 0 0 7 -6,-0.3 2,-0.3 47,-0.0 46,-0.1 -0.935 69.1-115.7 165.0 175.0 68.2 13.1 20.5 85 108 A L E + d 0 130A 0 44,-0.7 46,-2.5 -2,-0.3 -76,-0.2 -0.997 22.6 170.1-141.8 147.9 71.2 12.9 18.2 86 109 A D E S+ 0 0 6 -78,-2.8 49,-2.3 -2,-0.3 2,-0.4 0.712 70.8 39.1-118.6 -48.5 71.8 12.5 14.5 87 110 A F E -bd 9 135A 6 -79,-2.5 -77,-2.3 47,-0.2 2,-0.5 -0.915 56.5-170.4-116.8 134.8 75.5 13.1 13.8 88 111 A V E -bd 10 136A 2 47,-2.9 49,-2.6 -2,-0.4 2,-0.6 -0.977 2.6-168.5-125.6 118.2 78.5 12.1 15.9 89 112 A M E -bd 11 137A 4 -79,-3.2 -77,-2.5 -2,-0.5 2,-1.0 -0.928 7.1-159.6-109.2 107.9 81.9 13.4 15.0 90 113 A S + 0 0 1 47,-3.0 49,-0.3 -2,-0.6 -79,-0.1 -0.808 37.9 139.7 -88.9 100.7 84.7 11.6 16.9 91 114 A N + 0 0 20 -2,-1.0 -1,-0.2 -79,-0.2 -78,-0.1 0.650 19.7 114.4-116.8 -31.7 87.5 14.1 16.7 92 115 A S + 0 0 19 -73,-0.1 2,-0.3 26,-0.1 47,-0.1 -0.189 41.6 135.2 -49.4 139.5 89.5 14.3 19.9 93 116 A G - 0 0 28 -80,-0.1 2,-0.3 25,-0.0 18,-0.0 -0.986 39.9-133.8-174.9 168.4 93.1 13.2 19.6 94 117 A M - 0 0 35 -2,-0.3 2,-0.2 17,-0.2 21,-0.1 -0.976 15.6-132.6-136.3 147.8 96.8 13.8 20.4 95 118 A E - 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