==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-AUG-04 1X96 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.EL-KABBANI,C.DARMANIN,M.OKA,C.SCHULZE-BRIESE,T.TOMIZAKI, . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 62.7 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 . 41 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 27.2 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 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 0 A M 0 0 99 0, 0.0 254,-0.0 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 170.4 18.1 13.0 39.9 2 1 A A - 0 0 75 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.263 360.0-138.6 -63.0 144.1 14.4 12.5 39.3 3 2 A S S S+ 0 0 70 11,-0.1 12,-2.6 12,-0.1 13,-0.5 0.669 80.7 44.8 -81.1 -14.8 13.3 8.9 38.6 4 3 A R E -A 14 0A 125 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.934 65.0-148.8-128.8 153.9 10.7 9.8 35.8 5 4 A I E -A 13 0A 36 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.907 26.3-116.1-115.1 141.8 10.7 12.1 32.8 6 5 A L E -A 12 0A 108 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.678 27.6-150.7 -83.4 130.1 7.6 13.7 31.4 7 6 A L > - 0 0 4 4,-2.9 3,-2.0 -2,-0.5 198,-0.1 -0.500 29.5-106.8 -90.5 162.8 6.4 12.7 27.9 8 7 A N T 3 S+ 0 0 66 196,-0.4 171,-0.2 1,-0.3 -1,-0.1 0.351 117.8 64.2 -74.7 2.6 4.5 14.9 25.4 9 8 A N T 3 S- 0 0 64 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.307 119.6-108.0 -97.7 3.2 1.3 12.8 26.2 10 9 A G S < S+ 0 0 55 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.426 82.4 118.0 89.7 -3.3 1.4 14.1 29.8 11 10 A A - 0 0 32 144,-0.1 -4,-2.9 95,-0.1 2,-0.4 -0.610 62.1-122.5 -95.4 158.7 2.5 10.8 31.3 12 11 A K E -A 6 0A 104 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.864 20.9-158.1-104.4 136.8 5.7 10.2 33.3 13 12 A M E -A 5 0A 1 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.1 -0.938 22.7-116.9-115.2 127.1 8.2 7.5 32.2 14 13 A P E -A 4 0A 14 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.407 19.0-142.5 -62.2 133.6 10.7 5.9 34.5 15 14 A I S S+ 0 0 8 -12,-2.6 245,-2.8 244,-0.1 2,-0.5 0.662 86.2 57.0 -76.5 -14.4 14.2 6.8 33.2 16 15 A L B +b 260 0B 4 -13,-0.5 25,-0.5 243,-0.2 26,-0.3 -0.974 68.0 166.2-118.8 124.4 15.6 3.3 34.1 17 16 A G - 0 0 0 243,-2.6 2,-0.5 -2,-0.5 26,-0.2 -0.844 36.5-109.9-125.5 167.2 13.9 0.2 32.7 18 17 A L E -c 43 0B 2 24,-2.2 26,-2.8 -2,-0.3 245,-0.2 -0.880 29.8-141.1 -96.7 123.2 14.8 -3.5 32.4 19 18 A G E -cd 44 263B 5 243,-2.1 245,-0.6 -2,-0.5 26,-0.1 -0.521 15.3-173.0 -79.3 152.2 15.6 -4.8 28.9 20 19 A T > + 0 0 0 24,-0.5 3,-1.7 -2,-0.2 2,-0.3 0.339 37.1 126.9-130.3 4.5 14.4 -8.2 27.8 21 20 A W T 3 S+ 0 0 64 1,-0.3 -2,-0.1 23,-0.1 28,-0.0 -0.514 89.2 6.1 -65.9 128.4 15.9 -8.9 24.3 22 21 A K T 3 S+ 0 0 50 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.392 89.6 142.1 80.0 2.6 17.7 -12.3 24.5 23 22 A S < - 0 0 4 -3,-1.7 -1,-0.3 1,-0.1 5,-0.1 -0.648 58.7-117.8 -73.2 117.2 16.4 -13.0 28.0 24 23 A P >> - 0 0 44 0, 0.0 3,-2.3 0, 0.0 4,-2.1 -0.241 14.2-123.4 -59.5 144.2 15.7 -16.8 27.9 25 24 A P H 3> S+ 0 0 67 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.822 112.6 53.7 -58.3 -30.8 12.0 -17.6 28.4 26 25 A G H 34 S+ 0 0 79 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.445 118.3 34.6 -83.4 -1.7 12.9 -19.9 31.3 27 26 A Q H <> S+ 0 0 96 -3,-2.3 4,-2.1 2,-0.1 -1,-0.2 0.512 99.5 75.3-118.5 -17.6 14.9 -17.1 33.1 28 27 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.802 88.3 59.3 -78.2 -28.9 13.0 -13.9 32.2 29 28 A T H X S+ 0 0 27 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.965 111.8 41.0 -60.2 -47.4 10.0 -14.5 34.6 30 29 A E H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.914 112.9 55.8 -63.6 -40.9 12.4 -14.5 37.6 31 30 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.922 111.4 42.6 -59.5 -45.7 14.4 -11.6 36.1 32 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.881 113.1 52.5 -70.4 -37.9 11.3 -9.4 35.9 33 32 A K H X S+ 0 0 64 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.935 113.1 44.4 -60.9 -46.9 10.1 -10.5 39.3 34 33 A V H X S+ 0 0 30 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.940 111.2 54.6 -62.8 -45.6 13.4 -9.6 40.9 35 34 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.3 4,-0.5 0.935 110.6 45.0 -54.0 -49.1 13.6 -6.3 39.0 36 35 A I H ><5S+ 0 0 1 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.922 110.8 54.7 -65.8 -37.7 10.2 -5.2 40.3 37 36 A D H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.8 45.5 -59.4 -35.9 11.2 -6.3 43.8 38 37 A V H 3<5S- 0 0 56 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.359 132.7 -80.4 -98.2 9.8 14.3 -4.1 43.8 39 38 A G T <<5S+ 0 0 22 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.193 77.9 139.0 125.9 -12.5 12.7 -1.0 42.3 40 39 A Y < + 0 0 1 -5,-2.5 -1,-0.3 -6,-0.2 -23,-0.1 -0.419 15.8 170.8 -68.6 140.5 12.3 -1.3 38.5 41 40 A R + 0 0 71 -25,-0.5 33,-2.8 1,-0.1 2,-0.4 0.258 60.2 67.1-126.8 6.9 8.9 0.1 37.3 42 41 A H E - e 0 74B 0 -26,-0.3 -24,-2.2 31,-0.2 2,-0.4 -1.000 56.6-174.5-135.2 128.2 9.6 0.0 33.5 43 42 A I E -ce 18 75B 0 31,-1.5 33,-2.3 -2,-0.4 2,-0.5 -0.992 15.2-146.5-123.9 128.6 10.1 -3.1 31.5 44 43 A D E +ce 19 76B 4 -26,-2.8 -24,-0.5 -2,-0.4 2,-0.2 -0.895 30.9 164.9 -99.0 125.4 11.0 -3.0 27.7 45 44 A C - 0 0 0 31,-2.2 2,-0.3 -2,-0.5 3,-0.1 -0.738 19.6-169.6-129.8 172.1 9.5 -5.8 25.7 46 45 A A > > - 0 0 0 -2,-0.2 3,-1.5 31,-0.2 5,-0.5 -0.915 30.4-129.5-163.5 144.8 8.9 -6.8 22.1 47 46 A H G > 5S+ 0 0 38 31,-1.0 3,-1.7 -2,-0.3 5,-0.2 0.900 109.3 60.8 -58.0 -38.1 6.9 -9.4 20.3 48 47 A V G 3 5S+ 0 0 26 30,-0.3 -1,-0.3 1,-0.3 74,-0.1 0.669 89.8 69.8 -68.5 -14.4 9.9 -10.4 18.2 49 48 A Y G < 5S- 0 0 37 -3,-1.5 -1,-0.3 1,-0.1 -27,-0.2 0.670 94.8-142.9 -76.8 -13.9 11.8 -11.3 21.4 50 49 A Q T < 5S+ 0 0 144 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.720 78.0 88.2 63.9 29.1 9.5 -14.3 21.8 51 50 A N >< + 0 0 2 -5,-0.5 4,-2.2 2,-0.1 5,-0.2 0.249 42.0 112.2-137.9 16.2 9.3 -14.1 25.6 52 51 A E H > S+ 0 0 4 -6,-0.2 4,-2.7 1,-0.2 5,-0.2 0.856 76.7 58.1 -64.9 -32.1 6.4 -11.7 26.2 53 52 A N H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.957 109.5 43.6 -59.8 -43.9 4.3 -14.5 27.7 54 53 A E H > S+ 0 0 56 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.849 112.2 52.1 -72.3 -34.3 6.9 -15.2 30.4 55 54 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.930 108.5 53.5 -61.1 -44.9 7.4 -11.5 31.1 56 55 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.881 100.6 59.1 -59.6 -36.6 3.7 -11.2 31.5 57 56 A V H X S+ 0 0 62 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.927 108.5 46.3 -57.2 -40.9 3.7 -14.0 34.1 58 57 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.936 112.5 48.1 -67.6 -46.8 6.1 -12.0 36.2 59 58 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 112.3 50.5 -58.8 -45.1 4.1 -8.7 35.9 60 59 A Q H X S+ 0 0 79 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.901 109.8 48.9 -67.2 -40.4 0.9 -10.5 36.7 61 60 A E H X S+ 0 0 58 -4,-2.2 4,-3.5 -5,-0.2 5,-0.2 0.962 111.7 48.5 -65.7 -42.6 2.2 -12.1 39.9 62 61 A K H <>S+ 0 0 17 -4,-2.3 5,-2.1 1,-0.2 6,-1.0 0.889 114.1 47.0 -67.2 -30.9 3.7 -8.9 41.2 63 62 A L H ><5S+ 0 0 33 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.919 114.6 47.4 -68.1 -43.9 0.3 -7.2 40.5 64 63 A R H 3<5S+ 0 0 157 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.908 112.1 48.9 -65.4 -40.8 -1.6 -10.0 42.2 65 64 A E T 3<5S- 0 0 91 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.530 111.3-125.3 -73.8 -5.9 0.8 -10.0 45.1 66 65 A Q T < 5 + 0 0 136 -3,-1.3 -3,-0.2 -5,-0.2 3,-0.1 0.807 68.5 136.1 59.4 34.2 0.3 -6.2 45.4 67 66 A V S > - 0 0 77 -2,-0.3 3,-1.6 -3,-0.1 4,-0.5 -0.725 30.9-115.9 -96.3 150.5 -0.1 -1.2 41.3 70 69 A R G >4 S+ 0 0 31 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.859 114.7 59.1 -56.5 -37.1 -0.6 -1.2 37.5 71 70 A E G 34 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.695 101.3 55.7 -64.9 -20.3 -0.5 2.6 37.5 72 71 A E G <4 S+ 0 0 107 -3,-1.6 2,-0.3 2,-0.0 -1,-0.3 0.564 95.4 82.4 -87.9 -13.7 3.0 2.5 38.9 73 72 A L << - 0 0 2 -3,-1.5 2,-0.5 -4,-0.5 -31,-0.2 -0.677 60.8-159.0 -92.8 149.6 4.3 0.2 36.1 74 73 A F E -e 42 0B 7 -33,-2.8 -31,-1.5 -2,-0.3 2,-0.5 -0.908 15.7-173.4-127.5 98.0 5.4 1.5 32.7 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.6 -33,-0.2 32,-1.5 -0.866 0.9-169.0-105.0 128.2 5.3 -1.4 30.2 76 75 A V E +ef 44 107B 0 -33,-2.3 -31,-2.2 -2,-0.5 2,-0.3 -0.931 10.2 167.2-115.5 135.4 6.7 -0.9 26.7 77 76 A S E - f 0 108B 0 30,-1.9 32,-2.3 -2,-0.4 2,-0.4 -0.816 21.1-132.3-139.2-178.6 6.3 -3.1 23.6 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.998 14.7-120.9-144.1 139.0 7.0 -2.8 19.9 79 78 A L E - f 0 110B 0 30,-2.9 32,-2.1 -2,-0.4 33,-0.4 -0.694 37.6-128.8 -76.8 118.7 5.2 -3.5 16.6 80 79 A W > - 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0 0 19 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.846 58.0-150.1-119.7 157.5 -2.3 -6.4 30.3 103 102 A D S S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.635 87.3 17.6-102.1 -11.9 -5.3 -4.4 29.1 104 103 A Y - 0 0 33 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.987 67.3-136.4-146.2 156.9 -3.2 -1.4 28.0 105 104 A L B -k 154 0C 0 48,-1.9 50,-2.6 -2,-0.3 51,-0.4 -0.853 12.5-143.4-101.4 146.2 0.5 -0.6 27.2 106 105 A D S S+ 0 0 17 -31,-1.6 2,-0.3 -2,-0.4 -30,-0.2 0.835 89.0 9.5 -73.2 -32.4 2.1 2.5 28.5 107 106 A L E -f 76 0B 1 -32,-1.5 -30,-1.9 48,-0.2 2,-0.4 -0.962 62.4-169.5-150.5 133.6 4.1 2.9 25.3 108 107 A Y E -fg 77 157B 1 48,-1.9 50,-2.2 -2,-0.3 2,-0.4 -0.993 16.2-163.9-127.5 127.1 3.9 1.1 22.0 109 108 A L E -fg 78 158B 0 -32,-2.3 -30,-2.9 -2,-0.4 2,-0.7 -0.867 29.6-119.6-111.3 144.8 6.7 1.7 19.4 110 109 A I E -fg 79 159B 0 48,-2.2 50,-1.1 -2,-0.4 -30,-0.1 -0.779 33.8-148.1 -72.2 117.7 7.2 1.0 15.8 111 110 A H S S- 0 0 14 -32,-2.1 -1,-0.2 -2,-0.7 -31,-0.1 0.844 71.9 -1.6 -67.1 -40.1 10.2 -1.3 16.2 112 111 A W - 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