==== 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 1X97 . 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) . 13561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 63.3 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 . 42 13.3 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 2 3 1 0 0 3 0 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 94 0, 0.0 2,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 148.7 17.8 12.7 40.2 2 1 A A - 0 0 78 1,-0.1 13,-0.1 2,-0.0 3,-0.0 -0.427 360.0-145.3 -68.2 135.4 14.2 12.5 39.3 3 2 A S S S+ 0 0 67 -2,-0.1 12,-2.4 11,-0.1 13,-0.4 0.585 76.0 46.0 -76.4 -18.8 13.0 9.0 38.5 4 3 A R E -A 14 0A 72 10,-0.3 2,-0.3 11,-0.1 -1,-0.1 -0.989 65.8-148.0-134.9 138.4 10.4 9.8 35.7 5 4 A I E -A 13 0A 38 8,-2.4 8,-3.1 -2,-0.3 2,-0.5 -0.787 26.8-113.1-105.8 142.7 10.4 12.1 32.7 6 5 A L E -A 12 0A 109 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.660 29.5-150.8 -83.9 126.0 7.4 13.8 31.3 7 6 A L > - 0 0 5 4,-2.8 3,-2.0 -2,-0.5 198,-0.1 -0.560 28.3-109.3 -88.4 158.8 6.2 12.7 27.9 8 7 A N T 3 S+ 0 0 58 196,-0.4 171,-0.1 1,-0.3 197,-0.1 0.302 118.0 62.2 -75.3 7.2 4.3 14.8 25.4 9 8 A N T 3 S- 0 0 64 2,-0.2 -1,-0.3 169,-0.1 3,-0.1 0.184 120.2-108.7-103.4 0.8 1.1 12.8 26.1 10 9 A G S < S+ 0 0 57 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.370 82.3 117.5 85.3 0.4 1.2 14.1 29.7 11 10 A A - 0 0 36 144,-0.1 -4,-2.8 95,-0.1 2,-0.4 -0.632 62.9-121.5 -95.5 158.5 2.2 10.8 31.3 12 11 A K E -A 6 0A 131 -2,-0.2 -6,-0.2 -6,-0.2 -8,-0.0 -0.861 21.2-157.4-104.4 133.5 5.5 10.2 33.2 13 12 A M E -A 5 0A 1 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.1 -0.919 22.8-115.9-111.3 131.4 7.9 7.5 32.1 14 13 A P E -A 4 0A 7 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.424 18.3-144.1 -64.3 131.7 10.6 5.9 34.4 15 14 A I S S+ 0 0 10 -12,-2.4 245,-3.0 -2,-0.1 2,-0.5 0.645 85.9 60.0 -76.0 -13.9 14.0 6.8 33.1 16 15 A L B +b 260 0B 4 -13,-0.4 25,-0.6 243,-0.2 26,-0.3 -0.985 68.2 166.1-115.4 122.8 15.4 3.3 34.1 17 16 A G - 0 0 0 243,-2.5 2,-0.5 -2,-0.5 26,-0.2 -0.820 36.1-112.3-127.0 165.0 13.8 0.2 32.6 18 17 A L E -c 43 0B 2 24,-2.4 26,-2.9 -2,-0.3 245,-0.2 -0.895 28.7-142.5 -97.9 124.3 14.6 -3.5 32.3 19 18 A G E -cd 44 263B 5 243,-2.0 245,-0.7 -2,-0.5 26,-0.1 -0.555 14.8-173.4 -79.4 151.9 15.4 -4.8 28.8 20 19 A T > + 0 0 0 24,-0.6 3,-1.8 -2,-0.2 2,-0.3 0.307 36.6 126.9-129.9 4.2 14.2 -8.2 27.7 21 20 A W T 3 S+ 0 0 64 1,-0.3 -2,-0.1 23,-0.1 29,-0.0 -0.512 89.5 6.6 -65.2 126.9 15.8 -8.9 24.3 22 21 A K T 3 S+ 0 0 49 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.345 89.9 141.8 81.6 0.5 17.6 -12.3 24.5 23 22 A S < - 0 0 4 -3,-1.8 -1,-0.3 1,-0.1 5,-0.1 -0.607 59.0-117.4 -72.3 119.5 16.3 -13.0 28.0 24 23 A P >> - 0 0 42 0, 0.0 3,-2.3 0, 0.0 4,-2.3 -0.241 12.8-126.2 -58.5 141.7 15.6 -16.7 27.9 25 24 A P H 3> S+ 0 0 69 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.840 111.9 55.5 -59.9 -31.2 11.9 -17.6 28.4 26 25 A G H 34 S+ 0 0 77 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.513 119.0 31.8 -75.6 -6.7 12.9 -19.9 31.2 27 26 A Q H <> S+ 0 0 91 -3,-2.3 4,-2.0 2,-0.1 -1,-0.2 0.548 99.6 76.5-121.4 -18.7 14.7 -17.0 33.0 28 27 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.795 87.9 59.8 -77.3 -25.5 12.8 -13.8 32.2 29 28 A T H X S+ 0 0 26 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.975 111.4 41.0 -62.1 -48.9 9.9 -14.4 34.5 30 29 A E H > S+ 0 0 104 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.915 113.0 56.0 -63.6 -38.2 12.2 -14.5 37.5 31 30 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.928 110.7 42.8 -61.5 -43.6 14.2 -11.6 36.1 32 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.888 113.4 52.5 -72.0 -37.0 11.1 -9.3 35.8 33 32 A K H X S+ 0 0 56 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.946 112.7 44.4 -59.9 -49.1 9.9 -10.4 39.3 34 33 A V H X S+ 0 0 32 -4,-3.0 4,-2.2 2,-0.2 6,-0.2 0.936 111.5 54.2 -62.0 -44.7 13.2 -9.5 40.8 35 34 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.3 4,-0.5 0.960 110.5 45.8 -54.6 -50.5 13.4 -6.2 38.9 36 35 A I H ><5S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.927 110.6 54.4 -60.9 -40.0 9.9 -5.2 40.2 37 36 A D H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.1 44.9 -61.2 -33.0 10.9 -6.2 43.8 38 37 A V T 3<5S- 0 0 57 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.343 131.3 -80.4-100.7 11.5 14.0 -4.0 43.7 39 38 A G T < 5S+ 0 0 23 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.1 0.278 77.4 138.0 127.0 -14.3 12.4 -0.9 42.2 40 39 A Y < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -23,-0.1 -0.446 16.8 171.8 -70.3 143.3 12.1 -1.2 38.5 41 40 A R + 0 0 65 -25,-0.6 33,-2.7 1,-0.1 2,-0.4 0.278 59.5 67.5-129.9 5.4 8.8 0.1 37.2 42 41 A H E - e 0 74B 0 -26,-0.3 -24,-2.4 31,-0.2 2,-0.4 -0.999 55.9-174.4-132.4 131.1 9.4 0.0 33.5 43 42 A I E -ce 18 75B 0 31,-1.5 33,-2.4 -2,-0.4 2,-0.6 -0.988 15.6-145.8-126.4 129.4 9.9 -3.1 31.3 44 43 A D E +ce 19 76B 4 -26,-2.9 -24,-0.6 -2,-0.4 2,-0.2 -0.900 30.6 166.7 -99.5 124.2 10.9 -3.0 27.7 45 44 A C - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.710 18.5-170.8-128.6 168.7 9.3 -5.8 25.6 46 45 A A > > - 0 0 0 -2,-0.2 3,-1.4 31,-0.2 5,-0.5 -0.914 30.3-130.8-162.4 141.8 8.7 -6.7 22.0 47 46 A H G > 5S+ 0 0 37 31,-1.0 3,-1.7 -2,-0.3 5,-0.2 0.898 108.8 60.9 -56.9 -38.0 6.7 -9.4 20.2 48 47 A V G 3 5S+ 0 0 27 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.693 89.9 69.7 -68.7 -14.6 9.8 -10.3 18.1 49 48 A Y G < 5S- 0 0 39 -3,-1.4 -1,-0.3 1,-0.1 -27,-0.2 0.683 94.8-143.7 -74.1 -16.8 11.7 -11.2 21.3 50 49 A Q T < 5S+ 0 0 146 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.716 77.5 88.6 65.7 27.4 9.3 -14.3 21.7 51 50 A N >< + 0 0 2 -5,-0.5 4,-2.1 2,-0.1 3,-0.2 0.229 42.4 112.4-135.8 13.2 9.2 -14.0 25.5 52 51 A E H > S+ 0 0 5 -6,-0.2 4,-2.5 1,-0.2 5,-0.1 0.842 75.7 57.8 -64.8 -29.7 6.3 -11.7 26.1 53 52 A N H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 109.3 44.6 -62.8 -39.9 4.2 -14.5 27.7 54 53 A E H > S+ 0 0 55 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.833 111.1 52.4 -74.1 -33.0 6.8 -15.1 30.3 55 54 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.939 108.8 53.2 -61.3 -44.9 7.3 -11.4 31.0 56 55 A G H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.882 100.5 59.7 -59.1 -40.2 3.5 -11.2 31.4 57 56 A V H X S+ 0 0 66 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.912 108.3 45.8 -56.5 -40.8 3.6 -14.1 34.0 58 57 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.927 113.6 47.2 -66.7 -45.4 5.9 -12.0 36.2 59 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.941 112.8 49.8 -61.4 -47.1 3.9 -8.7 35.8 60 59 A Q H X S+ 0 0 82 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.881 110.3 50.6 -58.7 -42.5 0.6 -10.5 36.6 61 60 A E H X S+ 0 0 57 -4,-2.1 4,-2.7 -5,-0.3 6,-0.2 0.943 111.9 46.1 -65.5 -44.2 2.1 -12.1 39.7 62 61 A K H <>S+ 0 0 14 -4,-2.3 5,-2.5 1,-0.2 6,-1.1 0.890 114.2 48.8 -70.7 -32.1 3.4 -8.9 41.1 63 62 A L H ><5S+ 0 0 30 -4,-2.5 3,-1.5 3,-0.2 -1,-0.2 0.926 113.6 45.4 -67.4 -47.5 0.1 -7.1 40.3 64 63 A R H 3<5S+ 0 0 170 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.896 112.4 52.8 -63.7 -37.0 -2.0 -10.0 42.0 65 64 A E T 3<5S- 0 0 76 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.464 110.3-126.8 -70.4 -7.5 0.5 -9.9 44.9 66 65 A Q T < 5 + 0 0 148 -3,-1.5 -3,-0.2 2,-0.2 3,-0.1 0.816 69.4 134.8 50.1 39.5 -0.1 -6.2 45.3 67 66 A V S > - 0 0 110 -2,-0.3 3,-1.6 -3,-0.1 4,-0.7 -0.730 29.4-116.3 -93.2 151.8 -0.2 -1.2 41.2 70 69 A R G >4 S+ 0 0 38 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.862 114.4 58.6 -56.8 -37.5 -0.8 -1.2 37.4 71 70 A E G 34 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.719 101.5 56.3 -65.9 -20.9 -0.7 2.6 37.3 72 71 A E G <4 S+ 0 0 89 -3,-1.6 -1,-0.3 2,-0.0 2,-0.3 0.628 95.4 81.8 -85.8 -19.0 2.8 2.5 38.8 73 72 A L << - 0 0 0 -3,-1.1 2,-0.5 -4,-0.7 -31,-0.2 -0.642 61.5-159.0 -87.2 152.1 4.1 0.2 36.0 74 73 A F E -e 42 0B 3 -33,-2.7 -31,-1.5 -2,-0.3 2,-0.5 -0.918 15.5-172.4-130.0 98.8 5.2 1.5 32.6 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.8 -33,-0.2 32,-1.5 -0.854 0.2-169.7-105.9 128.8 5.1 -1.3 30.1 76 75 A V E +ef 44 107B 0 -33,-2.4 -31,-2.4 -2,-0.5 2,-0.3 -0.929 10.2 165.9-116.7 134.1 6.5 -0.9 26.6 77 76 A S E - f 0 108B 0 30,-1.9 32,-2.1 -2,-0.4 2,-0.4 -0.819 22.3-129.1-138.3-176.1 6.2 -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 14.5-121.8-143.5 135.9 6.8 -2.8 19.8 79 78 A L E - f 0 110B 0 30,-3.0 32,-1.9 -2,-0.4 33,-0.4 -0.670 37.9-130.2 -72.2 117.1 5.0 -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 -0.860 58.0-152.4-123.6 156.0 -2.5 -6.4 30.2 103 102 A D S S+ 0 0 124 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.511 88.2 13.4-103.0 -8.3 -5.5 -4.3 29.2 104 103 A Y - 0 0 25 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.978 66.5-133.7-152.8 157.3 -3.3 -1.5 27.9 105 104 A L B -k 154 0C 0 48,-2.1 50,-2.3 -2,-0.3 51,-0.4 -0.864 12.5-143.4-101.1 147.0 0.3 -0.7 27.2 106 105 A D S S+ 0 0 18 -31,-1.8 2,-0.3 -2,-0.4 -30,-0.2 0.807 89.3 9.3 -75.2 -30.3 1.9 2.5 28.4 107 106 A L E -f 76 0B 0 -32,-1.5 -30,-1.9 48,-0.1 2,-0.4 -0.968 62.5-168.9-153.9 131.6 3.9 2.9 25.2 108 107 A Y E -fg 77 157B 1 48,-1.9 50,-2.2 -2,-0.3 2,-0.4 -0.996 16.6-162.9-125.2 126.8 3.8 1.1 21.9 109 108 A L E -fg 78 158B 0 -32,-2.1 -30,-3.0 -2,-0.4 2,-0.7 -0.869 29.0-120.9-111.5 143.2 6.5 1.6 19.4 110 109 A I E -fg 79 159B 0 48,-2.5 50,-1.1 -2,-0.4 -30,-0.1 -0.746 33.5-149.2 -72.1 116.9 7.0 1.0 15.7 111 110 A H S S+ 0 0 14 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.880 71.7 0.8 -67.4 -41.2 10.0 -1.3 16.1 112 111 A W - 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