==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-AUG-07 2R24 . 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 . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 63.6 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 . 12 3.8 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 . 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 1 1 1 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 0 110 0, 0.0 254,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-174.8 17.6 13.2 40.3 2 1 A A - 0 0 70 1,-0.1 13,-0.1 2,-0.1 3,-0.0 -0.334 360.0-142.5 -60.4 144.6 13.9 12.5 39.5 3 2 A S S S+ 0 0 67 11,-0.1 12,-2.3 12,-0.1 13,-0.4 0.574 80.7 46.1 -89.9 -9.0 13.3 8.8 38.9 4 3 A R E -A 14 0A 153 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.951 69.3-143.8-129.6 156.5 10.7 9.4 36.1 5 4 A L E -A 13 0A 53 8,-2.4 8,-2.8 -2,-0.3 2,-0.3 -0.937 25.1-115.3-122.3 141.4 10.5 11.7 33.0 6 5 A L E -A 12 0A 117 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.577 27.4-154.2 -82.2 129.9 7.4 13.3 31.7 7 6 A L > - 0 0 1 4,-2.9 3,-1.9 -2,-0.3 198,-0.1 -0.541 32.7-102.1 -94.3 167.3 6.1 12.2 28.3 8 7 A N T 3 S+ 0 0 73 1,-0.3 171,-0.1 196,-0.2 -1,-0.1 0.562 120.2 60.8 -72.6 -3.8 4.0 14.4 25.9 9 8 A N T 3 S- 0 0 69 2,-0.2 -1,-0.3 169,-0.0 3,-0.1 0.309 120.2-106.1 -98.4 5.0 0.9 12.5 26.9 10 9 A G S < S+ 0 0 48 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.408 80.8 125.6 82.5 -0.4 1.3 13.6 30.6 11 10 A A - 0 0 19 144,-0.1 -4,-2.9 95,-0.1 2,-0.5 -0.599 57.9-128.3 -89.7 152.8 2.5 10.2 31.8 12 11 A K E -A 6 0A 100 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.897 19.4-158.1-105.0 126.9 5.7 9.7 33.8 13 12 A M E -A 5 0A 0 -8,-2.8 -8,-2.4 -2,-0.5 2,-0.1 -0.899 22.7-115.9-107.1 126.3 8.1 7.1 32.5 14 13 A P E -A 4 0A 15 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.408 17.4-139.3 -61.1 136.6 10.6 5.5 34.8 15 14 A I S S+ 0 0 5 -12,-2.3 245,-2.9 244,-0.1 2,-0.5 0.678 87.4 53.8 -75.2 -12.9 14.2 6.3 33.7 16 15 A L B +b 260 0B 6 -13,-0.4 25,-0.5 243,-0.2 2,-0.3 -0.969 68.4 165.2-121.0 127.8 15.5 2.9 34.4 17 16 A G - 0 0 0 243,-2.4 2,-0.6 -2,-0.5 26,-0.2 -0.891 35.8-107.3-130.7 171.6 13.8 -0.2 33.0 18 17 A L E -c 43 0B 0 24,-2.5 26,-2.7 -2,-0.3 245,-0.2 -0.879 27.4-143.2-101.1 125.0 14.6 -3.9 32.5 19 18 A G E -cd 44 263B 4 243,-2.2 245,-0.6 -2,-0.6 26,-0.1 -0.491 12.8-171.8 -81.1 152.4 15.3 -5.2 29.1 20 19 A T > + 0 0 0 24,-0.7 3,-1.6 -2,-0.1 2,-0.3 0.329 38.8 125.3-130.5 7.1 14.1 -8.7 28.0 21 20 A W T 3 S+ 0 0 64 1,-0.3 -2,-0.0 23,-0.1 29,-0.0 -0.552 88.0 8.7 -71.7 125.4 15.8 -9.4 24.6 22 21 A K T 3 S+ 0 0 48 -2,-0.3 -1,-0.3 1,-0.3 28,-0.0 0.428 89.6 136.7 83.7 5.6 17.6 -12.8 24.9 23 22 A S < - 0 0 3 -3,-1.6 -1,-0.3 241,-0.1 5,-0.1 -0.738 58.9-123.7 -84.5 113.6 16.1 -13.6 28.3 24 23 A P >> - 0 0 47 0, 0.0 4,-2.4 0, 0.0 3,-2.0 -0.302 13.3-119.9 -58.3 148.4 15.2 -17.2 28.0 25 24 A P H 3> S+ 0 0 61 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.826 112.6 56.5 -60.8 -31.0 11.6 -18.1 28.7 26 25 A G H 34 S+ 0 0 80 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.499 119.1 29.9 -81.0 -7.3 12.6 -20.4 31.5 27 26 A Q H <> S+ 0 0 103 -3,-2.0 4,-2.1 2,-0.1 -1,-0.2 0.546 100.4 77.3-117.9 -18.0 14.5 -17.6 33.3 28 27 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.800 88.8 59.6 -70.0 -27.7 12.7 -14.4 32.4 29 28 A T H X S+ 0 0 29 -4,-0.6 4,-2.3 -5,-0.2 -1,-0.2 0.971 110.1 41.6 -65.6 -48.4 9.8 -15.0 34.8 30 29 A E H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.907 112.6 55.9 -62.0 -40.7 12.2 -15.1 37.8 31 30 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.910 109.9 44.2 -57.5 -49.0 14.2 -12.1 36.4 32 31 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.890 112.2 53.1 -66.2 -41.0 11.1 -9.9 36.2 33 32 A K H X S+ 0 0 50 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.925 112.3 44.4 -56.3 -52.8 9.9 -11.0 39.6 34 33 A V H X S+ 0 0 47 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.923 111.6 53.8 -59.3 -43.4 13.2 -10.1 41.2 35 34 A A H X>S+ 0 0 0 -4,-2.6 5,-2.3 -5,-0.3 4,-1.4 0.938 108.9 48.1 -56.4 -46.4 13.4 -6.8 39.3 36 35 A I H <5S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.926 111.7 51.4 -63.9 -40.5 9.9 -5.8 40.6 37 36 A D H <5S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.6 48.4 -62.0 -39.3 10.9 -6.7 44.1 38 37 A V H <5S- 0 0 66 -4,-2.0 -1,-0.2 -3,-0.1 -2,-0.2 0.649 130.8 -89.2 -78.8 -22.6 14.1 -4.7 44.0 39 38 A G T <5S+ 0 0 20 -4,-1.4 -3,-0.2 -3,-0.4 -2,-0.1 0.395 74.1 142.0 133.5 -1.9 12.2 -1.7 42.6 40 39 A Y < + 0 0 1 -5,-2.3 -1,-0.3 -6,-0.2 -23,-0.1 -0.419 15.7 172.8 -65.3 142.9 12.1 -1.7 38.8 41 40 A R + 0 0 75 -25,-0.5 33,-2.5 1,-0.1 2,-0.4 0.268 56.9 71.7-131.0 7.8 8.8 -0.5 37.4 42 41 A H E - e 0 74B 0 -26,-0.3 -24,-2.5 31,-0.2 2,-0.4 -1.000 55.5-175.0-131.1 125.7 9.5 -0.3 33.7 43 42 A I E -ce 18 75B 0 31,-1.8 33,-2.3 -2,-0.4 2,-0.6 -0.997 14.6-148.5-125.2 128.9 9.9 -3.4 31.6 44 43 A D E +ce 19 76B 2 -26,-2.7 -24,-0.7 -2,-0.4 2,-0.2 -0.879 30.8 162.9-100.0 120.0 10.9 -3.3 27.9 45 44 A C - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.732 18.6-170.8-124.7 174.0 9.3 -6.2 25.9 46 45 A A > - 0 0 0 -2,-0.2 3,-1.2 31,-0.2 5,-0.5 -0.911 31.7-126.1-165.6 149.4 8.6 -7.2 22.2 47 46 A H G > S+ 0 0 35 31,-1.0 3,-1.8 -2,-0.3 5,-0.2 0.887 109.4 60.6 -60.4 -38.8 6.7 -9.9 20.5 48 47 A V G 3 S+ 0 0 25 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.688 88.7 71.0 -69.6 -15.9 9.7 -10.8 18.5 49 48 A Y G < S- 0 0 35 -3,-1.2 -1,-0.3 1,-0.1 -27,-0.2 0.582 96.0-140.8 -72.8 -13.0 11.7 -11.7 21.6 50 49 A Q S < S+ 0 0 159 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.710 78.1 88.7 63.1 26.5 9.3 -14.7 22.0 51 50 A N > + 0 0 1 -5,-0.5 4,-2.0 2,-0.1 5,-0.2 0.231 41.2 112.7-137.0 17.7 9.0 -14.4 25.7 52 51 A E H > S+ 0 0 3 1,-0.2 4,-2.4 -6,-0.2 5,-0.2 0.856 76.8 57.5 -63.8 -32.8 6.1 -12.1 26.4 53 52 A N H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 108.9 45.7 -62.0 -41.2 3.9 -14.9 27.9 54 53 A E H > S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.861 111.2 51.8 -73.8 -35.8 6.6 -15.6 30.5 55 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.923 108.0 54.2 -57.3 -47.2 7.0 -11.9 31.3 56 55 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 43,-0.2 -2,-0.2 0.866 101.6 56.5 -55.2 -39.8 3.3 -11.7 31.7 57 56 A V H X S+ 0 0 70 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.927 108.8 48.3 -62.3 -37.8 3.3 -14.5 34.3 58 57 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.939 111.5 48.7 -67.8 -46.0 5.8 -12.5 36.4 59 58 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.935 111.7 49.5 -61.2 -47.4 3.8 -9.3 36.2 60 59 A Q H X S+ 0 0 80 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.894 108.7 52.2 -61.6 -38.9 0.6 -11.1 37.1 61 60 A E H X S+ 0 0 56 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.907 110.7 47.1 -65.2 -40.0 2.1 -12.8 40.1 62 61 A K H <>S+ 0 0 14 -4,-2.1 5,-2.0 2,-0.2 6,-1.0 0.819 112.7 49.3 -73.7 -29.0 3.4 -9.5 41.5 63 62 A L H ><5S+ 0 0 40 -4,-1.9 3,-1.2 -5,-0.2 -2,-0.2 0.920 113.4 47.1 -69.6 -41.4 0.1 -7.8 41.0 64 63 A R H 3<5S+ 0 0 199 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.890 110.0 52.1 -70.3 -33.5 -1.7 -10.6 42.7 65 64 A E T 3<5S- 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.511 111.2-124.9 -74.3 -10.2 0.9 -10.6 45.6 66 65 A Q T < 5S+ 0 0 194 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.789 72.7 130.1 61.3 35.0 0.1 -6.8 45.9 67 66 A V S - 0 0 110 -2,-0.3 3,-1.7 -3,-0.1 4,-0.5 -0.804 32.0-113.7-104.4 156.0 -0.4 -1.9 41.4 70 69 A R G > S+ 0 0 22 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.856 114.1 59.9 -57.9 -40.5 -0.9 -1.8 37.6 71 70 A E G 3 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.724 100.1 56.1 -66.6 -13.6 -0.8 2.0 37.6 72 71 A E G < S+ 0 0 85 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.572 95.2 81.0 -89.0 -13.1 2.7 2.0 39.0 73 72 A L < - 0 0 3 -3,-1.5 2,-0.4 -4,-0.5 -31,-0.2 -0.648 63.2-155.4 -96.9 152.8 4.1 -0.2 36.3 74 73 A F E -e 42 0B 8 -33,-2.5 -31,-1.8 -2,-0.2 2,-0.5 -0.947 16.0-172.3-130.7 103.6 5.2 1.1 32.9 75 74 A I E -e 43 0B 0 -2,-0.4 32,-1.6 -33,-0.2 31,-1.5 -0.897 1.0-171.4-111.8 126.3 5.1 -1.7 30.3 76 75 A V E +ef 44 107B 0 -33,-2.3 -31,-2.4 -2,-0.5 2,-0.3 -0.922 8.6 168.1-117.6 134.1 6.4 -1.2 26.8 77 76 A S E - f 0 108B 0 30,-1.9 32,-2.2 -2,-0.4 2,-0.3 -0.842 21.3-130.2-136.6-178.3 6.2 -3.5 23.8 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.989 13.6-121.0-141.5 141.4 6.9 -3.1 20.0 79 78 A L E - f 0 110B 1 30,-3.0 32,-2.0 -2,-0.3 33,-0.4 -0.737 36.7-129.6 -83.2 121.1 5.2 -3.8 16.7 80 79 A W > - 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