==== 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 2FZ8 . 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) . 13718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 62.2 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 . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 2 1 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 0 124 0, 0.0 13,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 137.9 14.0 11.7 39.6 2 2 A S + 0 0 71 11,-0.1 12,-2.3 12,-0.1 13,-0.4 0.632 360.0 43.3 -94.2 -16.3 12.7 8.3 38.7 3 3 A R E -A 13 0A 115 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.916 63.6-144.9-133.2 157.0 10.3 9.1 35.9 4 4 A I E -A 12 0A 38 8,-2.3 8,-2.7 -2,-0.3 2,-0.4 -0.928 26.7-115.9-117.2 141.3 10.2 11.4 32.8 5 5 A L E -A 11 0A 115 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.675 29.3-152.5 -82.5 125.7 7.0 13.2 31.6 6 6 A L > - 0 0 4 4,-3.0 3,-2.1 -2,-0.4 198,-0.1 -0.578 28.5-108.3 -94.4 162.7 5.9 12.2 28.1 7 7 A N T 3 S+ 0 0 65 196,-0.4 171,-0.2 173,-0.3 -1,-0.1 0.303 116.4 65.6 -74.7 2.6 3.9 14.3 25.7 8 8 A N T 3 S- 0 0 62 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.265 119.7-107.8 -96.8 3.4 0.8 12.2 26.3 9 9 A G S < S+ 0 0 58 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.401 83.7 115.2 88.2 -1.3 0.8 13.5 29.9 10 10 A A - 0 0 35 144,-0.1 -4,-3.0 95,-0.1 2,-0.4 -0.627 62.9-121.8-101.1 158.3 1.9 10.2 31.5 11 11 A K E -A 5 0A 109 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.860 19.6-157.9-105.3 138.1 5.2 9.5 33.3 12 12 A M E -A 4 0A 1 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.1 -0.957 23.3-117.2-117.7 123.8 7.7 6.8 32.3 13 13 A P E -A 3 0A 12 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.392 19.7-140.9 -61.9 131.7 10.3 5.2 34.6 14 14 A I S S+ 0 0 19 -12,-2.3 245,-3.2 244,-0.1 2,-0.5 0.663 86.5 59.7 -72.4 -13.9 13.7 6.1 33.3 15 15 A L B +b 259 0B 4 -13,-0.4 25,-0.5 243,-0.2 26,-0.3 -0.964 67.3 169.3-115.6 129.3 15.1 2.6 34.1 16 16 A G - 0 0 0 243,-2.5 2,-0.6 -2,-0.5 26,-0.2 -0.896 34.9-113.0-127.5 162.1 13.5 -0.4 32.6 17 17 A L E -c 42 0B 2 24,-2.4 26,-2.6 -2,-0.3 245,-0.2 -0.879 29.9-143.4 -93.6 118.0 14.3 -4.1 32.4 18 18 A G E -cd 43 262B 5 243,-2.1 245,-0.6 -2,-0.6 26,-0.1 -0.513 15.4-173.6 -74.6 152.5 15.1 -5.4 28.9 19 19 A T > + 0 0 0 24,-0.7 3,-1.8 -2,-0.2 2,-0.3 0.371 36.8 126.1-133.0 4.4 13.9 -8.8 27.8 20 20 A W T 3 S+ 0 0 66 1,-0.3 -2,-0.1 23,-0.1 28,-0.1 -0.539 90.6 7.6 -65.5 125.9 15.5 -9.5 24.3 21 21 A K T 3 S+ 0 0 47 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.380 89.7 140.6 79.2 2.6 17.4 -12.9 24.5 22 22 A S < - 0 0 4 -3,-1.8 -1,-0.3 241,-0.1 5,-0.1 -0.641 60.1-118.1 -71.5 117.3 16.0 -13.6 28.1 23 23 A P >> - 0 0 47 0, 0.0 3,-2.3 0, 0.0 4,-2.1 -0.268 13.5-123.3 -60.1 145.5 15.3 -17.3 27.9 24 24 A P H 3> S+ 0 0 71 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.830 111.2 54.9 -61.8 -30.4 11.7 -18.2 28.3 25 25 A G H 34 S+ 0 0 78 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.488 118.6 33.1 -77.8 -1.8 12.5 -20.5 31.2 26 26 A Q H <> S+ 0 0 97 -3,-2.3 4,-2.0 2,-0.1 -1,-0.2 0.591 97.7 77.6-120.5 -18.5 14.3 -17.7 33.1 27 27 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.830 88.9 59.2 -71.8 -31.3 12.5 -14.5 32.2 28 28 A T H X S+ 0 0 28 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.962 111.7 39.9 -60.3 -52.0 9.5 -15.1 34.6 29 29 A E H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 114.0 55.9 -64.8 -34.4 11.8 -15.3 37.6 30 30 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.953 109.7 44.6 -61.1 -46.8 13.9 -12.4 36.2 31 31 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.880 111.6 53.4 -67.2 -39.0 10.9 -10.1 36.0 32 32 A K H X S+ 0 0 55 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.941 111.2 46.1 -59.1 -48.1 9.6 -11.1 39.4 33 33 A V H X S+ 0 0 21 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.930 111.0 53.2 -57.6 -47.0 13.0 -10.2 40.9 34 34 A A H X>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 4,-0.8 0.953 110.9 45.5 -57.3 -51.3 13.1 -6.9 39.1 35 35 A I H ><5S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.913 110.9 54.3 -60.7 -41.3 9.8 -5.8 40.4 36 36 A D H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 111.9 43.9 -58.6 -35.8 10.7 -6.9 43.9 37 37 A V H 3<5S- 0 0 58 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.433 132.9 -79.3 -96.3 5.5 13.9 -4.8 43.8 38 38 A G T <<5S+ 0 0 20 -3,-1.0 -3,-0.2 -4,-0.8 -4,-0.1 0.245 77.2 138.3 131.2 -18.8 12.2 -1.7 42.3 39 39 A Y < + 0 0 0 -5,-2.2 -1,-0.3 -6,-0.2 -23,-0.1 -0.323 15.1 170.1 -67.4 142.7 11.8 -1.9 38.6 40 40 A R + 0 0 70 -25,-0.5 33,-2.7 1,-0.1 2,-0.4 0.279 59.4 67.3-129.7 8.3 8.5 -0.6 37.3 41 41 A H E - e 0 73B 0 -26,-0.3 -24,-2.4 31,-0.2 2,-0.4 -0.999 56.5-173.6-133.1 127.6 9.1 -0.6 33.6 42 42 A I E -ce 17 74B 0 31,-1.6 33,-2.4 -2,-0.4 2,-0.5 -0.996 15.3-145.3-124.4 126.8 9.6 -3.7 31.5 43 43 A D E +ce 18 75B 4 -26,-2.6 -24,-0.7 -2,-0.4 2,-0.2 -0.898 30.9 168.4 -95.8 122.7 10.6 -3.5 27.8 44 44 A C - 0 0 0 31,-2.3 2,-0.3 -2,-0.5 3,-0.1 -0.730 19.7-172.9-128.3 167.0 9.0 -6.2 25.7 45 45 A A > - 0 0 0 -2,-0.2 3,-1.5 31,-0.2 5,-0.5 -0.906 31.6-130.9-161.6 146.2 8.4 -7.4 22.1 46 46 A H G > S+ 0 0 37 31,-0.9 3,-1.7 -2,-0.3 5,-0.2 0.875 109.1 60.6 -56.7 -36.7 6.5 -10.0 20.3 47 47 A V G 3 S+ 0 0 22 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.646 90.5 69.5 -69.1 -15.1 9.6 -10.9 18.2 48 48 A Y G < S- 0 0 38 -3,-1.5 -1,-0.3 -28,-0.1 -27,-0.2 0.615 95.1-143.3 -78.6 -13.4 11.4 -11.8 21.5 49 49 A Q S < S+ 0 0 144 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.712 77.8 88.6 62.1 27.8 9.1 -14.8 21.7 50 50 A N > + 0 0 2 -5,-0.5 4,-2.2 2,-0.1 5,-0.2 0.247 41.8 112.3-138.1 13.4 8.9 -14.6 25.5 51 51 A E H > S+ 0 0 3 -6,-0.2 4,-2.7 1,-0.2 5,-0.2 0.869 76.6 58.3 -64.0 -32.4 5.9 -12.2 26.2 52 52 A N H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.949 110.5 42.1 -57.3 -48.7 3.8 -15.1 27.7 53 53 A E H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.851 112.3 52.5 -73.2 -36.2 6.5 -15.7 30.3 54 54 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.946 108.8 53.8 -58.8 -45.2 7.1 -12.1 31.0 55 55 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.858 99.7 59.6 -55.7 -38.9 3.3 -11.8 31.5 56 56 A V H X S+ 0 0 65 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.933 108.1 45.9 -58.5 -41.1 3.3 -14.6 34.0 57 57 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.4 5,-0.2 0.928 112.8 48.7 -66.8 -47.6 5.6 -12.6 36.3 58 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.946 113.3 47.9 -58.6 -48.5 3.7 -9.3 35.8 59 59 A Q H X S+ 0 0 79 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.858 111.1 50.5 -65.4 -38.7 0.4 -11.1 36.6 60 60 A E H X S+ 0 0 50 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.875 111.0 47.7 -66.8 -36.0 1.8 -12.8 39.7 61 61 A K H <>S+ 0 0 13 -4,-2.3 5,-2.3 2,-0.2 6,-1.0 0.830 113.8 47.9 -76.7 -31.1 3.2 -9.7 41.2 62 62 A L H ><5S+ 0 0 32 -4,-2.2 3,-1.3 -5,-0.2 -2,-0.2 0.932 113.7 46.8 -63.6 -47.6 -0.1 -7.9 40.5 63 63 A R H 3<5S+ 0 0 152 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.903 110.9 52.4 -65.0 -36.4 -2.0 -10.8 42.1 64 64 A E T 3<5S- 0 0 87 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.577 111.2-126.8 -71.7 -8.6 0.4 -10.8 45.0 65 65 A Q T < 5 + 0 0 170 -3,-1.3 -3,-0.2 2,-0.2 3,-0.1 0.829 69.6 133.9 58.9 35.6 -0.3 -7.0 45.4 66 66 A V S > - 0 0 125 -2,-0.3 3,-1.3 -3,-0.1 4,-0.6 -0.723 30.6-116.0 -96.0 152.3 -0.6 -2.0 41.3 69 69 A R G >4 S+ 0 0 29 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.892 115.0 59.6 -55.8 -42.7 -1.1 -1.9 37.5 70 70 A E G 34 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.791 100.8 56.5 -61.8 -24.0 -1.1 1.9 37.4 71 71 A E G <4 S+ 0 0 91 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.579 95.3 82.8 -81.6 -13.7 2.4 1.8 38.9 72 72 A L << - 0 0 3 -3,-1.5 2,-0.5 -4,-0.6 -31,-0.2 -0.657 61.2-159.1 -91.0 148.6 3.8 -0.4 36.1 73 73 A F E -e 41 0B 8 -33,-2.7 -31,-1.6 -2,-0.3 2,-0.5 -0.905 16.4-174.5-127.6 100.8 4.9 0.9 32.8 74 74 A I E -e 42 0B 0 -2,-0.5 31,-1.8 -33,-0.2 32,-1.5 -0.894 1.3-170.2-110.5 125.8 4.9 -1.9 30.2 75 75 A V E +ef 43 106B 0 -33,-2.4 -31,-2.3 -2,-0.5 2,-0.3 -0.907 10.3 165.1-113.7 138.7 6.2 -1.4 26.8 76 76 A S E - f 0 107B 0 30,-1.9 32,-2.2 -2,-0.4 2,-0.3 -0.835 21.8-131.5-140.1-178.3 5.9 -3.7 23.7 77 77 A K E - f 0 108B 0 -2,-0.3 -31,-0.9 30,-0.2 2,-0.5 -0.997 15.8-117.1-143.5 141.2 6.5 -3.2 19.9 78 78 A L E - f 0 109B 0 30,-2.9 32,-1.9 -2,-0.3 33,-0.4 -0.683 39.4-130.4 -75.9 117.5 4.7 -4.0 16.6 79 79 A W > - 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