==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-FEB-06 2FZ9 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.STEUBER,M.ZENTGRAF,C.GERLACH,C.A.SOTRIFFER,A.HEINE,G.KLEBE . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.2 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 . 2 0.6 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 . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 3 1 2 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 2 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 1 A A 0 0 131 0, 0.0 13,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-175.1 14.0 12.2 39.5 2 2 A S + 0 0 70 11,-0.1 12,-2.8 12,-0.1 13,-0.4 0.586 360.0 51.2 -94.3 -8.2 13.2 8.6 38.6 3 3 A R E -A 13 0A 117 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.949 67.2-146.3-129.7 153.0 10.6 9.4 35.9 4 4 A I E -A 12 0A 35 8,-2.5 8,-2.7 -2,-0.3 2,-0.3 -0.930 25.4-116.9-116.3 137.8 10.6 11.6 32.8 5 5 A L E -A 11 0A 99 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.616 28.6-150.3 -77.6 130.9 7.5 13.4 31.5 6 6 A L > - 0 0 1 4,-3.2 3,-1.9 -2,-0.3 198,-0.1 -0.472 27.9-108.7 -93.8 165.5 6.3 12.3 28.1 7 7 A N T 3 S+ 0 0 65 173,-0.3 171,-0.1 1,-0.3 -1,-0.1 0.461 117.4 63.7 -79.0 4.0 4.4 14.5 25.6 8 8 A N T 3 S- 0 0 63 2,-0.2 -1,-0.3 169,-0.1 3,-0.1 0.292 120.6-107.4 -96.5 4.3 1.3 12.4 26.2 9 9 A G S < S+ 0 0 55 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.292 82.5 118.6 89.5 -9.4 1.3 13.7 29.8 10 10 A A - 0 0 33 144,-0.1 -4,-3.2 95,-0.1 2,-0.4 -0.477 62.1-121.4 -89.1 158.7 2.4 10.4 31.4 11 11 A K E -A 5 0A 110 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.884 21.3-157.9-105.2 136.3 5.6 9.8 33.4 12 12 A M E -A 4 0A 1 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.1 -0.934 22.2-118.6-115.7 126.8 8.1 7.1 32.3 13 13 A P E -A 3 0A 12 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.412 18.2-142.7 -61.1 133.8 10.6 5.5 34.6 14 14 A I S S+ 0 0 20 -12,-2.8 245,-2.9 244,-0.1 2,-0.5 0.663 86.5 57.2 -79.4 -9.8 14.1 6.3 33.3 15 15 A L B +b 259 0B 4 -13,-0.4 25,-0.5 243,-0.2 26,-0.4 -0.966 68.0 162.1-114.7 127.2 15.4 2.8 34.2 16 16 A G - 0 0 0 243,-2.3 2,-0.5 -2,-0.5 26,-0.2 -0.909 37.7-107.2-133.1 171.6 13.7 -0.3 32.8 17 17 A L E -c 42 0B 3 24,-2.4 26,-3.3 -2,-0.3 245,-0.2 -0.831 28.6-141.7 -98.4 125.7 14.5 -4.0 32.3 18 18 A G E -cd 43 262B 5 243,-2.3 245,-0.7 -2,-0.5 26,-0.1 -0.592 13.6-171.4 -81.1 154.9 15.3 -5.3 28.9 19 19 A T > + 0 0 0 24,-0.6 3,-1.7 -2,-0.2 2,-0.3 0.328 38.0 125.0-129.9 4.1 14.0 -8.7 27.7 20 20 A W T 3 S+ 0 0 65 1,-0.3 -2,-0.1 23,-0.1 29,-0.1 -0.548 88.3 6.8 -72.7 130.5 15.6 -9.5 24.4 21 21 A K T 3 S+ 0 0 46 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.348 89.3 139.7 84.5 -1.0 17.5 -12.8 24.5 22 22 A S < - 0 0 5 -3,-1.7 -1,-0.3 1,-0.1 5,-0.2 -0.606 61.5-116.0 -70.1 118.8 16.2 -13.5 28.0 23 23 A P >> - 0 0 49 0, 0.0 3,-2.5 0, 0.0 4,-2.0 -0.203 14.9-122.8 -61.1 143.5 15.4 -17.2 27.8 24 24 A P H 3> S+ 0 0 69 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.855 111.2 53.0 -54.9 -33.1 11.7 -18.0 28.1 25 25 A G H 34 S+ 0 0 77 1,-0.2 4,-0.1 2,-0.1 25,-0.0 0.376 117.9 33.9 -88.6 8.8 12.4 -20.3 31.1 26 26 A Q H <> S+ 0 0 101 -3,-2.5 4,-2.0 2,-0.1 -1,-0.2 0.504 97.9 78.7-127.4 -16.0 14.4 -17.7 33.0 27 27 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.808 86.7 60.6 -73.9 -27.1 12.6 -14.4 32.2 28 28 A T H X S+ 0 0 30 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.976 110.2 40.6 -66.4 -47.8 9.7 -15.0 34.5 29 29 A E H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.914 112.6 57.2 -65.3 -35.7 12.0 -15.1 37.5 30 30 A A H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.952 110.6 42.6 -59.1 -44.1 14.1 -12.2 36.1 31 31 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.896 112.1 53.5 -71.9 -35.9 11.0 -9.9 35.9 32 32 A K H X S+ 0 0 54 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.949 112.7 44.8 -60.0 -46.2 9.8 -11.0 39.4 33 33 A V H X S+ 0 0 20 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.943 111.5 53.2 -61.0 -49.8 13.2 -10.2 40.9 34 34 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.3 4,-0.7 0.934 110.7 46.5 -55.9 -44.9 13.3 -6.9 39.0 35 35 A I H ><5S+ 0 0 1 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.904 110.9 53.0 -68.5 -37.6 9.9 -5.8 40.3 36 36 A D H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.876 110.8 46.3 -59.8 -34.9 10.9 -6.8 43.8 37 37 A V H 3<5S- 0 0 58 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.521 132.6 -81.9 -90.9 -3.2 14.1 -4.7 43.8 38 38 A G T <<5S+ 0 0 20 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.280 76.2 141.0 131.9 -15.3 12.4 -1.6 42.3 39 39 A Y < + 0 0 0 -5,-2.6 -1,-0.3 -6,-0.2 -23,-0.1 -0.387 13.7 169.2 -67.6 142.0 12.0 -1.8 38.6 40 40 A R + 0 0 71 -25,-0.5 33,-3.4 1,-0.2 2,-0.5 0.341 59.0 70.0-127.4 -1.5 8.7 -0.4 37.3 41 41 A H E - e 0 73B 0 -26,-0.4 -24,-2.4 31,-0.2 2,-0.4 -0.990 56.7-175.0-125.3 122.0 9.5 -0.4 33.6 42 42 A I E -ce 17 74B 0 31,-1.5 33,-2.3 -2,-0.5 2,-0.6 -0.980 14.2-148.6-114.5 129.4 9.8 -3.5 31.4 43 43 A D E +ce 18 75B 5 -26,-3.3 -24,-0.6 -2,-0.4 2,-0.2 -0.884 30.9 162.3 -99.3 123.6 10.8 -3.4 27.8 44 44 A C - 0 0 0 31,-2.2 2,-0.3 -2,-0.6 3,-0.1 -0.747 20.4-169.3-129.0 170.4 9.3 -6.1 25.6 45 45 A A > > - 0 0 0 -2,-0.2 3,-1.5 31,-0.2 5,-0.5 -0.919 31.7-127.4-161.4 150.2 8.5 -7.2 22.1 46 46 A H G > 5S+ 0 0 37 31,-1.0 3,-2.0 -2,-0.3 5,-0.2 0.894 111.4 59.2 -55.8 -43.0 6.6 -9.8 20.2 47 47 A V G 3 5S+ 0 0 21 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.651 90.0 71.3 -66.3 -13.0 9.6 -10.7 18.2 48 48 A Y G < 5S- 0 0 38 -3,-1.5 -1,-0.3 1,-0.0 -27,-0.2 0.604 93.8-143.8 -78.1 -13.3 11.5 -11.6 21.5 49 49 A Q T < 5S+ 0 0 142 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.659 77.9 86.1 64.1 19.7 9.2 -14.6 21.7 50 50 A N >< + 0 0 1 -5,-0.5 4,-2.2 2,-0.1 5,-0.2 0.171 43.0 111.6-133.3 19.1 9.0 -14.4 25.5 51 51 A E H > S+ 0 0 3 -6,-0.2 4,-2.9 1,-0.2 5,-0.2 0.825 77.2 58.2 -66.1 -29.5 6.1 -12.0 26.2 52 52 A N H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.966 109.9 43.7 -62.1 -44.3 3.9 -14.8 27.6 53 53 A E H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.843 113.2 50.9 -70.0 -39.1 6.6 -15.6 30.3 54 54 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.947 108.6 53.7 -60.4 -45.3 7.1 -11.9 31.0 55 55 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.863 100.9 58.4 -57.4 -39.9 3.4 -11.6 31.4 56 56 A V H X S+ 0 0 63 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.926 108.3 47.4 -57.9 -41.1 3.3 -14.4 34.0 57 57 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 5,-0.2 0.924 112.2 47.7 -65.1 -46.3 5.7 -12.4 36.2 58 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.960 113.5 48.4 -59.2 -48.2 3.8 -9.2 35.9 59 59 A Q H X S+ 0 0 86 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.888 109.5 51.6 -63.1 -42.0 0.6 -10.9 36.7 60 60 A E H X S+ 0 0 45 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.877 112.5 46.4 -65.5 -32.9 2.0 -12.7 39.7 61 61 A K H <>S+ 0 0 14 -4,-2.0 5,-2.0 2,-0.2 6,-1.1 0.845 113.2 48.8 -80.3 -27.7 3.3 -9.5 41.2 62 62 A L H ><5S+ 0 0 32 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.917 113.6 47.9 -67.9 -40.2 0.1 -7.7 40.5 63 63 A R H 3<5S+ 0 0 161 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.884 110.3 50.3 -66.0 -38.3 -1.8 -10.6 42.1 64 64 A E T 3<5S- 0 0 83 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.486 110.7-124.6 -78.0 -3.6 0.6 -10.5 45.1 65 65 A Q T < 5S+ 0 0 144 -3,-1.0 -3,-0.2 -4,-0.3 3,-0.1 0.785 70.7 134.1 58.7 35.0 -0.0 -6.7 45.4 66 66 A V S > - 0 0 81 -2,-0.3 3,-1.3 -3,-0.1 4,-0.7 -0.747 30.1-116.2 -96.2 154.1 -0.3 -1.7 41.3 69 69 A R G >4 S+ 0 0 31 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.878 114.5 58.3 -56.9 -38.0 -0.9 -1.7 37.5 70 70 A E G 34 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.745 101.0 57.2 -67.0 -20.5 -0.7 2.1 37.4 71 71 A E G <4 S+ 0 0 93 -3,-1.3 -1,-0.3 2,-0.0 2,-0.2 0.681 93.9 85.7 -79.3 -21.2 2.8 2.0 38.9 72 72 A L << - 0 0 2 -3,-1.2 2,-0.5 -4,-0.7 -31,-0.2 -0.592 61.0-158.8 -85.7 148.5 4.0 -0.2 36.1 73 73 A F E -e 41 0B 7 -33,-3.4 -31,-1.5 -2,-0.2 2,-0.6 -0.898 18.0-174.3-124.6 93.6 5.3 1.2 32.7 74 74 A I E -e 42 0B 0 -2,-0.5 31,-1.8 -33,-0.2 32,-1.5 -0.837 1.4-170.6-104.5 129.3 5.1 -1.6 30.2 75 75 A V E +ef 43 106B 0 -33,-2.3 -31,-2.2 -2,-0.6 2,-0.3 -0.902 10.1 165.1-116.6 135.1 6.4 -1.2 26.7 76 76 A S E - f 0 107B 0 30,-2.0 32,-2.2 -2,-0.4 2,-0.3 -0.851 21.5-132.1-139.7-179.7 6.1 -3.4 23.6 77 77 A K E - f 0 108B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.996 15.2-120.2-142.3 143.7 6.7 -3.1 19.9 78 78 A L E - f 0 109B 0 30,-3.0 32,-1.9 -2,-0.3 33,-0.4 -0.724 38.7-130.9 -82.3 117.7 5.0 -3.8 16.6 79 79 A W > - 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