==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-APR-04 1T40 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.RUIZ,I.HAZEMANN,A.MITSCHLER,B.CHEVRIER,T.SCHNEIDER, . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 64.2 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.9 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 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 1AA M 0 0 108 0, 0.0 254,-0.0 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 157.8 17.8 13.0 40.1 2 1BA A - 0 0 76 1,-0.2 13,-0.1 2,-0.0 3,-0.0 -0.187 360.0-143.5 -52.3 137.5 14.1 12.3 39.3 3 2 A S S S+ 0 0 69 11,-0.1 12,-2.6 12,-0.1 13,-0.5 0.636 80.9 46.5 -80.1 -13.9 13.3 8.6 38.8 4 3 A R E S-A 14 0A 121 10,-0.3 2,-0.4 11,-0.1 -2,-0.0 -0.955 70.1-142.4-132.4 150.9 10.7 9.3 36.1 5 4 A L E -A 13 0A 45 8,-3.1 8,-3.1 -2,-0.3 2,-0.4 -0.869 25.3-114.6-112.1 143.9 10.6 11.5 32.9 6 5 A L E -A 12 0A 99 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.595 27.5-155.7 -80.0 128.9 7.6 13.4 31.6 7 6 A L > - 0 0 3 4,-2.9 3,-1.9 -2,-0.4 198,-0.1 -0.588 31.0-108.4 -96.0 162.9 6.2 12.2 28.2 8 7 A N T 3 S+ 0 0 81 1,-0.3 171,-0.1 196,-0.2 -1,-0.1 0.554 117.4 64.7 -71.8 -2.6 4.1 14.5 25.9 9 8 A N T 3 S- 0 0 62 2,-0.2 -1,-0.3 169,-0.0 3,-0.1 0.417 120.3-107.4 -96.0 2.0 1.0 12.5 26.8 10 9 A G S < S+ 0 0 57 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.379 81.6 123.0 90.9 -6.5 1.3 13.7 30.4 11 10 A A - 0 0 18 144,-0.1 -4,-2.9 95,-0.1 2,-0.5 -0.525 59.9-125.8 -88.5 157.1 2.4 10.3 31.8 12 11 A K E -A 6 0A 104 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.892 19.1-156.9-106.9 127.8 5.7 9.8 33.7 13 12 A M E -A 5 0A 2 -8,-3.1 -8,-3.1 -2,-0.5 29,-0.1 -0.887 23.4-117.2-106.3 125.0 8.1 7.1 32.4 14 13 A P E -A 4 0A 15 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.346 18.8-141.1 -59.2 132.7 10.6 5.5 34.8 15 14 A I S S+ 0 0 11 -12,-2.6 245,-3.2 244,-0.1 2,-0.5 0.685 86.6 58.9 -72.3 -14.5 14.1 6.4 33.5 16 15 A L B +b 260 0B 5 -13,-0.5 25,-0.5 243,-0.2 26,-0.4 -0.956 68.1 166.1-117.6 125.6 15.4 2.9 34.4 17 16 A G - 0 0 0 243,-2.5 2,-0.5 -2,-0.5 26,-0.2 -0.862 35.8-111.5-132.1 169.3 13.8 -0.2 32.9 18 17 A L E -c 43 0B 3 24,-2.6 26,-2.7 -2,-0.3 245,-0.2 -0.887 28.5-142.5-104.3 125.0 14.6 -3.9 32.5 19 18 A G E -cd 44 263B 6 243,-2.5 245,-0.7 -2,-0.5 26,-0.1 -0.539 13.8-172.0 -82.7 152.2 15.4 -5.2 29.0 20 19 A T > + 0 0 0 24,-0.7 3,-1.6 -2,-0.2 2,-0.3 0.369 38.4 124.2-126.7 5.3 14.1 -8.7 28.0 21 20 A W T 3 S+ 0 0 66 1,-0.3 -2,-0.1 23,-0.1 28,-0.1 -0.539 88.0 8.9 -71.2 128.8 15.7 -9.5 24.6 22 21 A K T 3 S+ 0 0 48 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.455 89.8 137.1 82.3 0.4 17.6 -12.8 24.8 23 22 A S < - 0 0 5 -3,-1.6 -1,-0.3 1,-0.1 5,-0.1 -0.716 61.0-117.8 -80.0 116.6 16.2 -13.6 28.3 24 23 A P >> - 0 0 47 0, 0.0 4,-3.0 0, 0.0 3,-2.2 -0.191 13.0-122.0 -55.9 142.6 15.3 -17.3 28.0 25 24 A P H 3> S+ 0 0 64 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.858 113.5 53.1 -54.0 -35.4 11.6 -18.2 28.5 26 25 A G H 34 S+ 0 0 79 1,-0.2 4,-0.1 2,-0.1 25,-0.0 0.461 119.9 31.7 -82.2 1.4 12.6 -20.4 31.4 27 26 A Q H <> S+ 0 0 94 -3,-2.2 4,-2.1 2,-0.1 -1,-0.2 0.581 100.0 76.2-127.0 -25.3 14.5 -17.7 33.2 28 27 A V H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.806 89.4 59.2 -63.0 -29.9 12.7 -14.4 32.3 29 28 A T H X S+ 0 0 30 -4,-0.6 4,-1.9 -5,-0.2 -1,-0.2 0.967 110.8 41.5 -65.3 -47.3 9.8 -15.0 34.7 30 29 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.900 112.2 56.3 -65.5 -38.7 12.1 -15.1 37.7 31 30 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.934 110.2 43.7 -60.2 -45.2 14.2 -12.2 36.4 32 31 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.872 111.5 53.7 -70.3 -35.3 11.1 -9.9 36.2 33 32 A K H X S+ 0 0 58 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.943 112.5 44.0 -64.0 -45.8 9.8 -11.0 39.6 34 33 A V H X S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.914 111.1 55.3 -65.0 -42.0 13.1 -10.1 41.2 35 34 A A H X>S+ 0 0 0 -4,-2.2 5,-2.3 -5,-0.3 4,-1.0 0.951 109.4 46.2 -57.0 -48.6 13.3 -6.9 39.3 36 35 A I H ><5S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.928 111.0 52.5 -62.3 -41.6 9.9 -5.7 40.6 37 36 A D H 3<5S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 110.3 49.4 -60.9 -36.4 10.9 -6.8 44.2 38 37 A V H 3<5S- 0 0 55 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.636 131.1 -89.5 -80.3 -13.9 14.1 -4.7 43.8 39 38 A G T <<5S+ 0 0 20 -4,-1.0 -3,-0.2 -3,-0.8 -2,-0.1 0.338 74.5 142.4 126.3 -11.8 12.2 -1.6 42.5 40 39 A Y < + 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 -23,-0.1 -0.386 13.9 169.5 -62.9 140.0 12.1 -1.8 38.7 41 40 A R + 0 0 71 -25,-0.5 33,-3.1 1,-0.1 2,-0.5 0.306 57.9 72.3-131.0 1.5 8.7 -0.4 37.5 42 41 A H E - e 0 74B 0 -26,-0.4 -24,-2.6 31,-0.2 2,-0.4 -0.974 56.6-177.4-125.0 123.1 9.5 -0.3 33.7 43 42 A I E -ce 18 75B 0 31,-1.8 33,-2.3 -2,-0.5 2,-0.6 -0.980 15.0-148.9-123.5 128.9 9.8 -3.4 31.6 44 43 A D E +ce 19 76B 4 -26,-2.7 -24,-0.7 -2,-0.4 2,-0.2 -0.851 29.2 163.2 -99.8 121.9 10.8 -3.4 27.9 45 44 A C - 0 0 0 31,-2.8 2,-0.3 -2,-0.6 3,-0.1 -0.699 19.6-169.5-127.2 179.8 9.3 -6.2 25.8 46 45 A A > - 0 0 0 31,-0.2 3,-1.3 -2,-0.2 5,-0.5 -0.905 31.5-127.5-170.0 140.9 8.6 -7.1 22.2 47 46 A H G > S+ 0 0 32 31,-0.9 3,-1.7 -2,-0.3 5,-0.2 0.885 110.4 61.3 -61.1 -36.7 6.6 -9.8 20.4 48 47 A V G 3 S+ 0 0 23 1,-0.3 -1,-0.3 30,-0.2 74,-0.1 0.670 88.6 70.7 -66.3 -15.2 9.7 -10.8 18.4 49 48 A Y G < S- 0 0 39 -3,-1.3 -1,-0.3 1,-0.1 -27,-0.2 0.629 94.7-143.4 -76.8 -11.6 11.6 -11.6 21.6 50 49 A Q S < S+ 0 0 140 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.754 78.0 86.7 56.8 28.7 9.3 -14.7 21.9 51 50 A N > + 0 0 1 -5,-0.5 4,-2.0 2,-0.1 5,-0.2 0.208 43.4 112.6-139.2 17.4 9.0 -14.5 25.7 52 51 A E H > S+ 0 0 3 -6,-0.2 4,-2.3 1,-0.2 5,-0.1 0.838 76.0 57.4 -64.1 -30.9 6.1 -12.1 26.3 53 52 A N H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.948 109.7 44.7 -64.3 -44.8 3.9 -14.8 27.8 54 53 A E H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.859 111.5 52.1 -68.1 -35.7 6.5 -15.6 30.5 55 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.920 108.3 53.7 -65.7 -40.8 7.1 -11.9 31.2 56 55 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.865 101.5 58.3 -62.0 -35.5 3.4 -11.6 31.7 57 56 A V H X S+ 0 0 56 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.932 107.4 47.6 -60.7 -43.5 3.4 -14.5 34.2 58 57 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.942 112.0 49.0 -62.9 -47.9 5.8 -12.5 36.4 59 58 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.946 112.3 48.0 -58.5 -48.9 3.8 -9.3 36.1 60 59 A Q H X S+ 0 0 77 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.924 110.0 52.4 -60.3 -43.5 0.5 -11.0 37.0 61 60 A E H X S+ 0 0 68 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.913 112.1 45.0 -60.6 -41.5 2.1 -12.8 40.0 62 61 A K H <>S+ 0 0 13 -4,-2.2 5,-2.3 2,-0.2 6,-1.0 0.849 113.3 50.1 -73.2 -31.6 3.4 -9.6 41.4 63 62 A L H ><5S+ 0 0 35 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.960 113.7 46.2 -68.3 -47.3 0.1 -7.8 40.8 64 63 A R H 3<5S+ 0 0 174 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.901 110.2 52.2 -60.6 -42.1 -1.7 -10.6 42.6 65 64 A E T 3<5S- 0 0 91 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.630 111.1-126.6 -69.8 -11.8 0.8 -10.7 45.5 66 65 A Q T < 5 + 0 0 173 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.844 69.9 133.6 68.4 33.8 0.1 -6.9 45.8 67 66 A V S > - 0 0 103 -2,-0.3 3,-1.2 -3,-0.1 4,-0.6 -0.754 32.7-112.3-105.5 157.9 -0.4 -1.9 41.5 70 69 A R G >4 S+ 0 0 29 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.903 115.0 57.9 -58.8 -41.9 -0.9 -1.7 37.7 71 70 A E G 34 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.704 100.5 59.5 -64.0 -16.5 -0.8 2.1 37.5 72 71 A E G <4 S+ 0 0 95 -3,-1.2 -1,-0.3 2,-0.0 2,-0.3 0.667 94.3 80.7 -85.2 -16.2 2.7 1.9 39.1 73 72 A L << - 0 0 2 -3,-1.5 2,-0.5 -4,-0.6 -31,-0.2 -0.629 62.4-157.6 -93.2 149.5 4.0 -0.2 36.2 74 73 A F E -e 42 0B 8 -33,-3.1 -31,-1.8 -2,-0.3 2,-0.5 -0.902 17.2-172.5-126.0 99.4 5.2 1.1 32.9 75 74 A I E -e 43 0B 0 -2,-0.5 32,-1.6 -33,-0.2 31,-1.5 -0.823 1.1-169.8-101.3 130.6 5.0 -1.7 30.3 76 75 A V E +ef 44 107B 0 -33,-2.3 -31,-2.8 -2,-0.5 2,-0.3 -0.940 10.0 167.1-121.0 134.9 6.4 -1.2 26.8 77 76 A S E - f 0 108B 0 30,-1.8 32,-2.2 -2,-0.4 2,-0.4 -0.871 21.7-132.3-135.4 174.3 6.1 -3.5 23.8 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-0.9 30,-0.2 2,-0.5 -0.974 13.9-121.3-137.3 145.7 6.8 -3.1 20.1 79 78 A L E - f 0 110B 0 30,-3.2 32,-1.9 -2,-0.4 33,-0.4 -0.702 37.0-130.0 -82.3 121.0 5.0 -3.8 16.7 80 79 A W > - 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