==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-APR-07 2PF8 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.PETROVA,I.HAZEMANN,A.COUSIDO,A.MITSCHLER,S.GINELL,A.JOACHI . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 62.0 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 . 1 0.3 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 . 84 26.6 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 1 2 1 0 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 89 0, 0.0 275,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 150.8 18.1 11.7 40.2 2 1 A A - 0 0 80 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.273 360.0-135.2 -56.9 145.9 14.3 11.8 39.7 3 2 A S S S+ 0 0 69 11,-0.1 12,-2.5 12,-0.1 13,-0.4 0.686 74.5 47.3 -86.1 -19.2 13.1 8.5 38.7 4 3 A R E -A 14 0A 117 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.907 61.6-145.3-128.8 155.0 10.7 9.4 35.8 5 4 A I E -A 13 0A 36 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.930 26.8-116.7-116.5 140.5 10.6 11.6 32.7 6 5 A L E -A 12 0A 112 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.647 29.0-151.5 -80.7 127.0 7.5 13.4 31.5 7 6 A L > - 0 0 5 4,-3.1 3,-2.2 -2,-0.5 198,-0.1 -0.526 28.6-107.5 -91.2 163.6 6.3 12.3 28.0 8 7 A N T 3 S+ 0 0 67 196,-0.3 171,-0.1 173,-0.3 -1,-0.1 0.421 117.4 64.2 -75.8 6.0 4.5 14.4 25.5 9 8 A N T 3 S- 0 0 62 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.318 119.8-107.7 -98.8 3.2 1.3 12.4 26.2 10 9 A G S < S+ 0 0 60 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.362 83.2 116.9 88.4 -5.3 1.3 13.7 29.8 11 10 A A - 0 0 35 144,-0.1 -4,-3.1 95,-0.1 2,-0.4 -0.604 62.8-122.3 -93.1 157.9 2.4 10.4 31.4 12 11 A K E -A 6 0A 112 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.822 20.7-158.2-105.2 137.3 5.6 9.8 33.3 13 12 A M E -A 5 0A 2 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.1 -0.956 23.2-115.8-117.0 126.0 8.1 7.1 32.2 14 13 A P E -A 4 0A 11 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.407 19.5-141.7 -61.7 132.3 10.7 5.5 34.5 15 14 A I S S+ 0 0 9 -12,-2.5 245,-2.7 -2,-0.1 2,-0.4 0.631 86.3 55.0 -73.9 -13.1 14.2 6.3 33.2 16 15 A L B +b 260 0B 4 -13,-0.4 25,-0.5 243,-0.2 2,-0.3 -0.991 68.3 165.7-121.5 128.6 15.5 2.9 34.1 17 16 A G - 0 0 0 243,-2.3 2,-0.6 -2,-0.4 26,-0.2 -0.872 36.9-106.5-132.0 166.9 13.9 -0.2 32.7 18 17 A L E -c 43 0B 1 24,-2.3 26,-2.8 -2,-0.3 245,-0.2 -0.859 29.6-141.7 -96.8 122.8 14.7 -3.9 32.3 19 18 A G E -cd 44 263B 5 243,-2.0 245,-0.7 -2,-0.6 26,-0.1 -0.510 15.0-173.6 -78.1 153.1 15.5 -5.2 28.9 20 19 A T > + 0 0 0 24,-0.6 3,-1.5 -2,-0.2 2,-0.3 0.361 37.4 124.6-132.0 1.8 14.3 -8.6 27.8 21 20 A W T 3 S+ 0 0 65 1,-0.3 -2,-0.1 23,-0.1 29,-0.1 -0.565 89.9 7.6 -67.8 128.9 15.8 -9.4 24.4 22 21 A K T 3 S+ 0 0 48 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.306 89.1 140.5 81.5 -3.2 17.7 -12.7 24.7 23 22 A S < - 0 0 4 -3,-1.5 -1,-0.3 1,-0.1 5,-0.1 -0.594 59.8-118.3 -69.9 118.3 16.4 -13.4 28.2 24 23 A P >> - 0 0 61 0, 0.0 4,-2.2 0, 0.0 3,-2.2 -0.252 13.1-124.0 -63.2 146.5 15.7 -17.1 28.0 25 24 A P H 3> S+ 0 0 73 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.808 112.0 54.5 -61.9 -27.0 12.0 -18.1 28.6 26 25 A G H 34 S+ 0 0 78 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.472 119.3 32.9 -83.2 -1.1 13.0 -20.3 31.5 27 26 A Q H <> S+ 0 0 75 -3,-2.2 4,-2.0 2,-0.1 -1,-0.2 0.539 99.4 76.2-120.4 -23.3 14.8 -17.5 33.2 28 27 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.800 88.2 59.3 -72.5 -29.1 12.9 -14.3 32.3 29 28 A T H X S+ 0 0 26 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.969 111.7 41.1 -61.0 -50.8 10.0 -14.9 34.7 30 29 A E H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.890 112.7 56.2 -61.5 -38.9 12.3 -14.9 37.7 31 30 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.932 110.6 42.9 -59.5 -45.7 14.3 -12.0 36.2 32 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.886 112.9 53.0 -70.1 -37.7 11.3 -9.8 36.0 33 32 A K H X S+ 0 0 56 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.938 112.8 44.5 -58.8 -48.5 10.1 -10.9 39.5 34 33 A V H X S+ 0 0 19 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.930 111.6 53.8 -60.1 -46.2 13.5 -10.0 41.0 35 34 A A H X>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.3 4,-0.6 0.938 110.8 44.9 -56.2 -49.6 13.5 -6.7 39.0 36 35 A I H ><5S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.928 111.3 54.5 -62.5 -41.5 10.2 -5.6 40.4 37 36 A D H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 110.8 45.6 -58.9 -35.1 11.1 -6.7 43.9 38 37 A V H 3<5S- 0 0 62 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.404 132.6 -82.9 -95.4 2.9 14.3 -4.5 43.8 39 38 A G T <<5S+ 0 0 19 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.261 75.1 143.0 125.2 -10.2 12.5 -1.5 42.4 40 39 A Y < + 0 0 0 -5,-2.6 -1,-0.3 -6,-0.2 -23,-0.1 -0.405 15.0 172.4 -64.7 138.7 12.2 -1.7 38.6 41 40 A R + 0 0 71 -25,-0.5 33,-2.3 1,-0.1 2,-0.4 0.216 59.3 65.3-126.8 11.1 9.0 -0.2 37.3 42 41 A H E - e 0 74B 0 -26,-0.2 -24,-2.3 31,-0.2 2,-0.4 -0.998 56.2-173.2-141.2 126.4 9.6 -0.4 33.6 43 42 A I E -ce 18 75B 0 31,-1.5 33,-2.4 -2,-0.4 2,-0.6 -0.996 14.9-146.6-123.2 130.3 10.0 -3.5 31.4 44 43 A D E +ce 19 76B 4 -26,-2.8 -24,-0.6 -2,-0.4 2,-0.2 -0.895 31.5 165.2 -99.8 122.1 11.0 -3.3 27.8 45 44 A C - 0 0 0 31,-2.3 2,-0.3 -2,-0.6 3,-0.1 -0.726 19.2-170.8-126.5 170.9 9.4 -6.1 25.7 46 45 A A > - 0 0 0 -2,-0.2 3,-1.3 31,-0.2 5,-0.5 -0.907 31.1-129.5-164.2 147.0 8.7 -7.1 22.1 47 46 A H G > S+ 0 0 35 31,-1.1 3,-1.9 -2,-0.3 5,-0.2 0.897 109.3 60.2 -58.7 -40.1 6.7 -9.8 20.3 48 47 A V G 3 S+ 0 0 24 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.712 90.0 70.7 -65.1 -18.7 9.8 -10.7 18.3 49 48 A Y G < S- 0 0 41 -3,-1.3 -1,-0.3 1,-0.1 -27,-0.2 0.660 94.8-142.9 -72.5 -15.8 11.7 -11.6 21.4 50 49 A Q S < S+ 0 0 150 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.582 77.8 87.9 70.3 17.1 9.4 -14.7 21.8 51 50 A N > + 0 0 2 -5,-0.5 4,-2.3 2,-0.1 5,-0.2 0.183 42.2 111.9-131.7 17.6 9.2 -14.4 25.6 52 51 A E H > S+ 0 0 4 -6,-0.2 4,-2.7 1,-0.2 5,-0.2 0.857 76.5 58.0 -65.9 -33.8 6.3 -12.1 26.3 53 52 A N H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.944 110.5 43.4 -57.6 -46.2 4.2 -14.9 27.8 54 53 A E H > S+ 0 0 55 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.859 112.3 51.5 -71.2 -37.0 6.9 -15.5 30.4 55 54 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.931 109.7 52.9 -58.5 -46.0 7.5 -11.8 31.1 56 55 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.854 99.9 60.0 -60.5 -37.0 3.7 -11.6 31.6 57 56 A V H X S+ 0 0 66 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.920 108.7 45.6 -56.3 -44.7 3.7 -14.4 34.1 58 57 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.922 112.7 48.7 -63.8 -48.1 6.0 -12.3 36.3 59 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.946 113.2 48.0 -56.5 -49.1 4.1 -9.1 35.9 60 59 A Q H X S+ 0 0 82 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.891 110.4 51.1 -63.3 -40.1 0.8 -10.8 36.7 61 60 A E H X S+ 0 0 49 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.901 110.6 48.5 -64.0 -41.1 2.3 -12.5 39.8 62 61 A K H <>S+ 0 0 13 -4,-2.2 5,-2.2 2,-0.2 6,-1.0 0.862 113.0 47.8 -70.4 -32.4 3.7 -9.3 41.2 63 62 A L H ><5S+ 0 0 33 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.928 114.0 46.9 -66.4 -44.9 0.3 -7.6 40.6 64 63 A R H 3<5S+ 0 0 155 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.904 111.2 51.2 -62.4 -43.6 -1.5 -10.5 42.3 65 64 A E T 3<5S- 0 0 91 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.571 110.3-127.7 -63.5 -15.0 1.1 -10.4 45.2 66 65 A Q T < 5 + 0 0 172 -3,-1.1 -3,-0.2 -4,-0.4 3,-0.1 0.802 69.1 134.6 58.1 35.4 0.3 -6.6 45.5 67 66 A V S > - 0 0 122 -2,-0.3 3,-1.7 -3,-0.1 4,-0.5 -0.770 30.5-116.4-100.5 155.2 -0.1 -1.7 41.3 70 69 A R G >4 S+ 0 0 32 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.876 114.7 59.3 -57.8 -39.7 -0.7 -1.7 37.6 71 70 A E G 34 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.719 101.2 56.2 -62.8 -23.3 -0.6 2.1 37.5 72 71 A E G <4 S+ 0 0 91 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.528 95.1 82.4 -84.9 -11.7 2.9 2.1 38.9 73 72 A L << - 0 0 3 -3,-1.6 2,-0.5 -4,-0.5 -31,-0.2 -0.720 61.2-158.3 -94.1 152.2 4.3 -0.1 36.1 74 73 A F E -e 42 0B 7 -33,-2.3 -31,-1.5 -2,-0.3 2,-0.5 -0.933 15.7-172.8-130.7 98.8 5.4 1.1 32.7 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.6 -33,-0.2 32,-1.5 -0.883 0.5-169.3-105.1 127.1 5.2 -1.7 30.2 76 75 A V E +ef 44 107B 0 -33,-2.4 -31,-2.3 -2,-0.5 2,-0.3 -0.919 10.6 165.7-114.8 135.3 6.6 -1.2 26.7 77 76 A S E - f 0 108B 0 30,-2.0 32,-2.3 -2,-0.4 2,-0.3 -0.831 21.7-131.5-138.0-175.7 6.3 -3.5 23.7 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.1 30,-0.2 2,-0.5 -0.998 14.5-121.1-145.0 141.1 6.8 -3.2 20.0 79 78 A L E - f 0 110B 0 30,-2.8 32,-1.9 -2,-0.3 33,-0.4 -0.693 38.4-129.0 -80.5 119.3 5.0 -3.9 16.7 80 79 A W > - 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0 0 18 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.879 57.7-155.1-125.5 158.2 -2.3 -6.7 30.4 103 102 A D S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.385 88.9 14.1-107.4 -0.1 -5.4 -4.7 29.2 104 103 A Y - 0 0 33 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.943 67.9-133.1-160.6 157.2 -3.2 -1.8 28.1 105 104 A L B -k 154 0C 0 48,-2.0 50,-2.7 -2,-0.3 51,-0.4 -0.856 12.8-143.1-100.6 146.4 0.4 -1.0 27.3 106 105 A D S S+ 0 0 16 -31,-1.6 2,-0.3 -2,-0.4 -30,-0.2 0.844 89.7 8.2 -71.8 -32.4 2.1 2.1 28.6 107 106 A L E -f 76 0B 1 -32,-1.5 -30,-2.0 48,-0.2 2,-0.4 -0.969 62.4-168.5-152.3 133.4 4.0 2.5 25.4 108 107 A Y E -fg 77 157B 1 48,-1.8 50,-2.1 -2,-0.3 2,-0.4 -0.996 16.4-163.2-126.9 126.6 3.8 0.7 22.0 109 108 A L E -fg 78 158B 0 -32,-2.3 -30,-2.8 -2,-0.4 2,-0.7 -0.842 29.9-119.8-111.8 144.8 6.6 1.3 19.5 110 109 A I E -fg 79 159B 1 48,-2.2 50,-1.1 -2,-0.4 -30,-0.1 -0.730 35.5-148.4 -71.5 114.5 7.0 0.7 15.8 111 110 A H S S- 0 0 11 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.881 71.7 -1.3 -63.9 -43.8 10.0 -1.7 16.3 112 111 A W - 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