==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-AUG-07 2QXW . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.BLAKELEY,F.RUIZ,R.CACHAU,I.HAZEMANN,F.MEILLEUR,A.MITSCHL . 313 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.9 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 . 39 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 27.5 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 0 1 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 93 0, 0.0 275,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 141.2 18.0 11.7 40.3 2 1 A A - 0 0 77 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.241 360.0-132.0 -55.4 143.6 14.3 11.7 39.9 3 2 A S S S+ 0 0 70 11,-0.1 12,-2.6 12,-0.1 13,-0.4 0.645 77.3 49.4 -81.6 -21.0 13.1 8.3 38.7 4 3 A R E -A 14 0A 117 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.902 60.5-147.9-127.5 155.1 10.7 9.3 35.8 5 4 A I E -A 13 0A 34 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.922 28.9-115.1-117.9 140.7 10.7 11.6 32.8 6 5 A L E -A 12 0A 114 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.662 29.0-151.2 -80.2 128.8 7.6 13.4 31.5 7 6 A L > - 0 0 4 4,-3.1 3,-2.2 -2,-0.4 198,-0.1 -0.555 28.2-109.1 -92.3 161.5 6.4 12.3 28.0 8 7 A N T 3 S+ 0 0 65 196,-0.4 171,-0.2 173,-0.3 -1,-0.1 0.428 116.9 64.8 -76.9 7.6 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 0.319 120.0-108.2 -98.3 3.9 1.3 12.3 26.2 10 9 A G S < S+ 0 0 59 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.349 83.1 117.4 86.0 -3.4 1.4 13.7 29.8 11 10 A A - 0 0 33 144,-0.1 -4,-3.1 95,-0.1 2,-0.4 -0.597 62.9-122.1 -94.1 160.0 2.4 10.4 31.4 12 11 A K E -A 6 0A 114 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.831 21.1-158.6-106.3 136.9 5.7 9.8 33.3 13 12 A M E -A 5 0A 1 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.1 -0.943 23.5-115.6-116.4 127.7 8.1 7.1 32.2 14 13 A P E -A 4 0A 12 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.406 19.7-142.2 -62.2 131.8 10.7 5.4 34.5 15 14 A I S S+ 0 0 9 -12,-2.6 245,-2.8 -2,-0.1 2,-0.5 0.622 86.5 55.6 -74.1 -11.6 14.2 6.3 33.2 16 15 A L B +b 260 0B 3 -13,-0.4 25,-0.5 243,-0.2 2,-0.3 -0.989 68.6 166.5-122.4 127.4 15.6 2.9 34.1 17 16 A G - 0 0 0 243,-2.3 2,-0.6 -2,-0.5 26,-0.2 -0.893 36.9-106.8-130.7 165.1 13.9 -0.3 32.7 18 17 A L E -c 43 0B 1 24,-2.3 26,-2.8 -2,-0.3 245,-0.2 -0.840 29.9-141.2 -94.4 122.4 14.7 -3.9 32.4 19 18 A G E -cd 44 263B 5 243,-2.1 245,-0.7 -2,-0.6 26,-0.1 -0.519 16.0-174.5 -77.1 152.1 15.6 -5.2 28.9 20 19 A T > + 0 0 0 24,-0.6 3,-1.5 -2,-0.2 2,-0.3 0.366 37.3 123.9-131.1 0.7 14.3 -8.6 27.9 21 20 A W T 3 S+ 0 0 64 1,-0.3 29,-0.1 23,-0.1 -2,-0.1 -0.560 90.0 8.2 -68.1 129.0 15.9 -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 0.300 88.9 139.5 81.9 -2.5 17.8 -12.8 24.7 23 22 A S < - 0 0 4 -3,-1.5 -1,-0.3 1,-0.1 5,-0.1 -0.611 60.5-118.7 -71.4 117.4 16.4 -13.4 28.2 24 23 A P >> - 0 0 48 0, 0.0 3,-2.2 0, 0.0 4,-2.2 -0.230 13.6-122.6 -62.2 147.7 15.7 -17.1 28.0 25 24 A P H 3> S+ 0 0 71 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.809 112.3 54.3 -62.9 -28.8 12.1 -18.1 28.5 26 25 A G H 34 S+ 0 0 81 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.416 119.1 34.0 -78.9 -4.0 13.0 -20.3 31.4 27 26 A Q H <> S+ 0 0 93 -3,-2.2 4,-2.0 2,-0.1 -1,-0.2 0.557 98.4 76.1-118.7 -24.9 14.8 -17.5 33.2 28 27 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.801 88.1 59.7 -73.0 -27.1 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 0.971 111.6 41.4 -62.0 -49.7 10.0 -14.8 34.7 30 29 A E H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.898 112.5 55.9 -62.0 -39.3 12.4 -14.9 37.6 31 30 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.927 110.6 43.5 -59.5 -46.5 14.4 -12.0 36.2 32 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.891 113.0 52.4 -68.3 -38.9 11.3 -9.8 36.0 33 32 A K H X S+ 0 0 54 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.937 112.8 44.6 -58.1 -49.2 10.1 -10.9 39.5 34 33 A V H X S+ 0 0 21 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.931 111.8 53.8 -60.3 -45.9 13.5 -10.0 41.0 35 34 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.3 4,-0.6 0.937 110.4 45.4 -55.9 -50.6 13.6 -6.7 39.0 36 35 A I H ><5S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.922 111.0 54.5 -61.4 -42.1 10.2 -5.6 40.4 37 36 A D H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.846 110.5 45.8 -59.8 -32.9 11.2 -6.7 43.9 38 37 A V H 3<5S- 0 0 63 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.393 133.0 -82.9 -95.8 3.4 14.3 -4.5 43.8 39 38 A G T <<5S+ 0 0 19 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.268 75.9 142.3 124.7 -10.4 12.6 -1.5 42.4 40 39 A Y < + 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -23,-0.1 -0.403 14.1 170.5 -64.1 140.4 12.2 -1.7 38.6 41 40 A R + 0 0 71 -25,-0.5 33,-2.1 1,-0.1 2,-0.4 0.229 58.9 67.2-134.0 14.5 8.9 -0.4 37.3 42 41 A H E - e 0 74B 0 -26,-0.2 -24,-2.3 31,-0.2 2,-0.4 -0.995 56.5-174.0-140.0 127.2 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 -0.995 15.4-146.3-123.4 129.8 10.1 -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 -0.896 31.9 165.2 -99.5 122.5 11.1 -3.3 27.8 45 44 A C - 0 0 0 31,-2.3 2,-0.3 -2,-0.6 3,-0.1 -0.728 19.6-170.6-127.0 170.6 9.5 -6.1 25.7 46 45 A A > - 0 0 0 -2,-0.2 3,-1.3 31,-0.2 5,-0.5 -0.898 30.9-129.9-164.0 146.5 8.8 -7.2 22.1 47 46 A H G > S+ 0 0 36 31,-1.1 3,-1.9 -2,-0.3 5,-0.2 0.893 109.7 59.9 -57.8 -40.8 6.7 -9.8 20.4 48 47 A V G 3 S+ 0 0 23 30,-0.3 -1,-0.3 1,-0.3 74,-0.1 0.714 89.7 71.0 -65.0 -19.0 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,-0.3 0.656 95.0-142.4 -72.2 -14.9 11.7 -11.6 21.5 50 49 A Q S < S+ 0 0 145 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.633 78.3 87.1 68.0 21.6 9.5 -14.7 21.8 51 50 A N > + 0 0 2 -5,-0.5 4,-2.2 2,-0.1 5,-0.2 0.208 42.6 111.0-135.1 16.4 9.3 -14.4 25.6 52 51 A E H > S+ 0 0 4 -6,-0.2 4,-2.8 1,-0.2 5,-0.2 0.844 76.3 58.8 -66.1 -32.4 6.4 -12.1 26.3 53 52 A N H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.942 110.4 43.2 -58.4 -45.2 4.2 -14.9 27.8 54 53 A E H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.856 112.2 51.8 -71.5 -37.0 6.9 -15.5 30.4 55 54 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.939 109.7 52.5 -57.9 -46.4 7.5 -11.8 31.1 56 55 A G H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.859 100.9 59.1 -60.6 -38.1 3.7 -11.6 31.6 57 56 A V H X S+ 0 0 67 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.930 109.2 45.6 -56.8 -43.6 3.7 -14.4 34.1 58 57 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 -2,-0.2 0.920 112.8 48.9 -64.4 -48.9 6.1 -12.4 36.3 59 58 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.946 113.4 47.1 -55.2 -50.7 4.1 -9.1 35.9 60 59 A Q H X S+ 0 0 85 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.891 110.8 51.7 -61.8 -41.0 0.8 -10.8 36.8 61 60 A E H X S+ 0 0 49 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.914 110.8 47.3 -63.1 -43.2 2.3 -12.6 39.8 62 61 A K H <>S+ 0 0 13 -4,-2.4 5,-2.2 2,-0.2 6,-1.0 0.858 113.8 47.9 -70.3 -32.9 3.7 -9.4 41.2 63 62 A L H ><5S+ 0 0 34 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.932 113.4 47.7 -65.9 -44.2 0.4 -7.6 40.6 64 63 A R H 3<5S+ 0 0 157 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.889 111.2 50.6 -63.9 -41.7 -1.5 -10.5 42.2 65 64 A E T 3<5S- 0 0 90 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.544 110.6-127.0 -67.7 -14.4 1.0 -10.5 45.2 66 65 A Q T < 5 + 0 0 171 -3,-1.1 -3,-0.2 -4,-0.3 3,-0.1 0.821 69.2 134.7 61.5 35.1 0.4 -6.7 45.5 67 66 A V S > - 0 0 129 -2,-0.3 3,-1.8 -3,-0.1 4,-0.5 -0.759 31.1-114.0 -99.3 155.4 -0.1 -1.8 41.4 70 69 A R G >4 S+ 0 0 41 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.868 114.7 60.2 -57.9 -37.8 -0.6 -1.7 37.6 71 70 A E G 34 S+ 0 0 151 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.723 101.2 55.7 -62.7 -23.9 -0.6 2.1 37.6 72 71 A E G <4 S+ 0 0 83 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.560 94.8 83.1 -84.5 -13.4 3.0 2.0 38.9 73 72 A L << - 0 0 3 -3,-1.6 2,-0.5 -4,-0.5 -31,-0.2 -0.682 60.9-158.8 -92.0 151.7 4.3 -0.2 36.1 74 73 A F E -e 42 0B 7 -33,-2.1 -31,-1.5 -2,-0.3 2,-0.5 -0.921 15.3-172.7-130.7 97.5 5.4 1.1 32.8 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.6 -33,-0.2 32,-1.5 -0.870 0.8-169.4-103.7 126.1 5.3 -1.8 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 10.8 165.3-114.0 134.5 6.7 -1.2 26.7 77 76 A S E - f 0 108B 0 30,-2.0 32,-2.2 -2,-0.4 2,-0.4 -0.829 22.1-131.5-138.3-175.7 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 -0.999 14.9-121.1-145.3 139.3 6.9 -3.2 20.0 79 78 A L E - f 0 110B 0 30,-2.8 32,-1.9 -2,-0.4 33,-0.4 -0.683 38.8-128.2 -77.4 120.4 5.0 -4.0 16.7 80 79 A W > - 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0 0 15 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.894 56.3-157.0-121.2 149.3 -2.2 -6.7 30.4 103 102 A D S S+ 0 0 130 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.394 89.1 15.0-102.9 -3.2 -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 -0.953 69.2-133.2-158.5 156.3 -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 -0.849 12.6-143.2 -99.1 145.7 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 0.846 89.8 8.2 -72.1 -32.0 2.1 2.1 28.6 107 106 A L E -f 76 0B 0 -32,-1.5 -30,-2.0 48,-0.2 2,-0.4 -0.971 62.7-168.7-153.1 133.4 4.0 2.5 25.4 108 107 A Y E -fg 77 157B 1 48,-1.8 50,-2.2 -2,-0.3 2,-0.4 -0.995 16.3-163.4-127.1 126.7 3.9 0.7 22.1 109 108 A L E -fg 78 158B 0 -32,-2.2 -30,-2.8 -2,-0.4 2,-0.7 -0.851 30.3-119.3-112.3 145.2 6.6 1.3 19.5 110 109 A I E -fg 79 159B 0 48,-2.1 50,-1.1 -2,-0.4 -30,-0.1 -0.728 36.4-148.7 -71.7 113.5 7.0 0.6 15.8 111 110 A H S S- 0 0 10 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.883 71.8 -1.1 -62.8 -46.3 10.0 -1.7 16.3 112 111 A W S S- 0 0 40 -33,-0.4 -1,-0.2 2,-0.2 49,-0.2 -0.969 71.6-120.7-137.6 154.4 11.8 -0.9 13.1 113 112 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 197,-0.1 0.772 87.2 91.7 -69.0 -21.3 10.7 1.5 10.3 114 113 A T - 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