==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-APR-97 1AH3 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR D.MORAS,A.PODJARNY . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 66.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 27.9 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 1 2 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 1 A X 0 0 106 0, 0.0 3,-0.1 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 -51.5 44.3 32.8 108.0 2 2 A S + 0 0 69 1,-0.5 12,-2.6 10,-0.1 13,-0.4 0.558 360.0 1.8-130.3 -36.6 43.0 33.0 104.5 3 3 A H E -A 13 0A 70 10,-0.3 -1,-0.5 11,-0.2 2,-0.2 -0.981 60.4-141.0-152.3 146.3 43.8 36.5 103.2 4 4 A L E -A 12 0A 18 8,-2.4 8,-2.6 -2,-0.3 2,-0.4 -0.501 26.3-122.9-101.4 179.7 45.5 39.5 104.7 5 5 A V E -A 11 0A 78 6,-0.2 2,-0.2 -2,-0.2 6,-0.2 -0.973 13.4-138.1-132.0 140.1 44.2 43.0 104.1 6 6 A L > - 0 0 3 4,-2.4 3,-2.3 -2,-0.4 198,-0.1 -0.626 33.0-104.6 -92.7 161.1 46.0 46.0 102.6 7 7 A Y T 3 S+ 0 0 97 196,-0.4 -1,-0.1 1,-0.3 197,-0.1 0.558 120.4 62.7 -61.1 -8.8 45.8 49.5 103.9 8 8 A T T 3 S- 0 0 69 2,-0.2 -1,-0.3 172,-0.0 3,-0.1 0.663 121.5-105.7 -85.6 -23.3 43.5 50.3 100.9 9 9 A G S < S+ 0 0 46 -3,-2.3 -2,-0.1 1,-0.3 0, 0.0 -0.016 74.6 140.3 117.6 -23.2 40.9 47.8 102.2 10 10 A A - 0 0 37 -5,-0.1 -4,-2.4 144,-0.1 2,-0.6 -0.220 51.9-128.2 -63.4 132.5 41.7 45.2 99.5 11 11 A K E -A 5 0A 139 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.681 20.1-158.7 -80.9 118.0 41.8 41.6 100.6 12 12 A M E -A 4 0A 2 -8,-2.6 -8,-2.4 -2,-0.6 29,-0.1 -0.882 20.7-123.1-100.0 114.8 45.0 39.9 99.5 13 13 A P E -A 3 0A 28 0, 0.0 -10,-0.3 0, 0.0 246,-0.0 -0.297 16.7-137.7 -48.2 133.6 44.7 36.0 99.3 14 14 A I S S+ 0 0 0 -12,-2.6 245,-3.4 244,-0.1 2,-0.4 0.723 85.8 51.4 -75.0 -22.5 47.4 34.5 101.5 15 15 A L B +b 259 0B 5 -13,-0.4 25,-0.5 243,-0.2 26,-0.3 -0.945 67.3 166.9-117.1 136.6 48.5 31.8 99.1 16 16 A G - 0 0 0 243,-2.0 2,-0.4 -2,-0.4 26,-0.2 -0.911 36.1-107.6-138.9 166.1 49.4 32.6 95.5 17 17 A L E -c 42 0B 2 24,-2.1 26,-3.0 -2,-0.3 2,-0.3 -0.843 29.8-140.1 -99.9 135.1 51.1 30.8 92.6 18 18 A G E -cd 43 262B 5 243,-2.1 245,-0.6 -2,-0.4 26,-0.1 -0.708 13.3-169.7 -91.4 147.1 54.6 31.9 91.6 19 19 A T > + 0 0 0 24,-0.8 3,-1.7 -2,-0.3 -1,-0.1 0.412 41.2 122.2-119.9 -1.6 55.5 32.1 88.0 20 20 A W T 3 S+ 0 0 72 1,-0.3 -2,-0.1 23,-0.1 28,-0.1 -0.439 89.9 6.4 -66.5 135.8 59.3 32.7 87.9 21 21 A K T 3 S+ 0 0 48 1,-0.2 -1,-0.3 27,-0.1 -2,-0.0 0.374 92.2 134.3 71.2 -0.8 61.0 29.9 86.0 22 22 A S < - 0 0 3 -3,-1.7 -1,-0.2 241,-0.1 5,-0.1 -0.687 61.4-123.7 -76.1 108.5 57.6 28.6 84.9 23 23 A P >> - 0 0 51 0, 0.0 3,-2.7 0, 0.0 4,-2.4 -0.179 15.0-114.8 -62.4 144.2 58.2 28.0 81.1 24 24 A P H 3> S+ 0 0 60 0, 0.0 4,-0.9 0, 0.0 26,-0.0 0.881 115.1 50.6 -43.4 -52.6 55.8 29.7 78.6 25 25 A G H 34 S+ 0 0 80 1,-0.2 4,-0.1 2,-0.1 25,-0.0 0.481 119.1 36.9 -67.2 -4.8 54.4 26.4 77.3 26 26 A K H <> S+ 0 0 116 -3,-2.7 4,-2.5 2,-0.1 3,-0.4 0.670 100.1 71.7-115.8 -29.0 53.7 25.1 80.9 27 27 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.772 91.3 60.1 -66.3 -26.7 52.6 28.2 82.8 28 28 A T H X S+ 0 0 30 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.934 111.2 39.3 -68.2 -42.5 49.2 28.4 81.0 29 29 A E H > S+ 0 0 97 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.955 114.3 55.1 -72.9 -40.9 48.1 25.0 82.2 30 30 A A H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 110.0 46.5 -50.9 -49.1 49.7 25.7 85.6 31 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.899 113.8 49.2 -62.1 -40.2 47.6 28.9 86.0 32 32 A K H X S+ 0 0 27 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.960 111.5 47.2 -67.1 -45.4 44.5 27.0 84.8 33 33 A V H X S+ 0 0 27 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.951 111.5 53.4 -59.3 -47.5 45.0 24.1 87.3 34 34 A A H X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-1.1 0.911 109.4 45.6 -56.6 -50.5 45.6 26.6 90.1 35 35 A I H <5S+ 0 0 2 -4,-2.3 3,-0.5 3,-0.2 -1,-0.2 0.886 110.8 55.7 -63.6 -33.5 42.4 28.6 89.5 36 36 A D H <5S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 107.3 48.6 -65.3 -37.3 40.5 25.2 89.2 37 37 A L H <5S- 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.703 130.2 -95.1 -73.9 -16.0 41.8 24.2 92.7 38 38 A G T <5S+ 0 0 25 -4,-1.1 -3,-0.2 -3,-0.5 2,-0.2 0.506 71.4 149.8 114.7 4.5 40.8 27.6 94.1 39 39 A Y < + 0 0 1 -5,-2.7 -1,-0.3 -6,-0.2 -23,-0.1 -0.540 16.1 177.0 -66.9 137.2 44.0 29.7 93.9 40 40 A R + 0 0 70 -25,-0.5 33,-3.2 -2,-0.2 2,-0.4 0.268 56.1 69.6-123.7 7.6 42.9 33.3 93.4 41 41 A H E - e 0 73B 1 -26,-0.3 -24,-2.1 31,-0.2 2,-0.4 -0.990 54.4-175.5-135.0 127.3 46.3 35.1 93.4 42 42 A I E -ce 17 74B 0 31,-1.9 33,-2.3 -2,-0.4 2,-0.6 -0.968 15.4-148.0-121.0 131.8 49.0 34.8 90.7 43 43 A D E +ce 18 75B 4 -26,-3.0 -24,-0.8 -2,-0.4 2,-0.2 -0.915 30.1 166.0-102.3 122.4 52.3 36.5 91.2 44 44 A C - 0 0 0 31,-2.3 2,-0.3 -2,-0.6 3,-0.1 -0.701 19.6-168.4-128.8 175.8 53.8 37.6 87.9 45 45 A A > > - 0 0 0 31,-0.3 3,-1.3 -2,-0.2 5,-0.5 -0.928 31.4-125.9-165.4 145.0 56.5 39.9 86.5 46 46 A H G > 5S+ 0 0 64 31,-1.2 3,-1.7 -2,-0.3 5,-0.3 0.895 109.4 58.3 -60.3 -38.9 57.4 41.2 83.1 47 47 A V G 3 5S+ 0 0 25 30,-0.3 -1,-0.3 1,-0.3 31,-0.0 0.641 87.6 72.5 -71.1 -13.5 61.0 39.8 83.4 48 48 A Y G < 5S- 0 0 36 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.699 95.6-142.0 -74.4 -13.1 59.8 36.3 83.8 49 49 A Q T < 5S+ 0 0 160 -3,-1.7 -2,-0.1 -4,-0.4 -3,-0.1 0.762 78.0 89.2 62.1 31.7 58.9 36.5 80.0 50 50 A N >< + 0 0 1 -5,-0.5 4,-2.2 -4,-0.1 3,-0.2 0.302 40.8 111.3-139.6 12.9 55.7 34.5 80.4 51 51 A E H > S+ 0 0 3 -6,-0.3 4,-3.0 -5,-0.3 5,-0.1 0.849 79.1 56.8 -63.4 -30.1 53.0 37.1 81.2 52 52 A N H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.959 110.0 43.2 -63.9 -43.2 51.4 36.5 77.8 53 53 A E H > S+ 0 0 54 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.841 113.2 52.1 -74.9 -27.6 51.0 32.8 78.5 54 54 A V H >X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 3,-0.5 0.985 108.1 53.3 -64.7 -53.2 49.8 33.6 82.1 55 55 A G H 3X S+ 0 0 0 -4,-3.0 4,-3.1 43,-0.3 -2,-0.2 0.864 104.4 55.3 -47.7 -48.0 47.3 36.0 80.5 56 56 A L H 3X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.902 108.7 46.6 -54.6 -46.8 46.0 33.2 78.2 57 57 A G H S+ 0 0 15 -4,-1.9 5,-2.0 2,-0.2 6,-1.0 0.841 114.6 48.3 -69.1 -38.4 39.1 31.1 83.0 62 62 A L H ><5S+ 0 0 41 -4,-2.7 3,-1.5 3,-0.2 -2,-0.2 0.968 118.1 38.2 -70.3 -52.6 37.5 34.5 83.0 63 63 A Q H 3<5S+ 0 0 132 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.861 111.3 60.3 -70.7 -28.9 35.5 34.1 79.7 64 64 A G T 3<5S- 0 0 47 -4,-2.2 -1,-0.3 -5,-0.5 -2,-0.2 0.308 112.3-126.7 -75.3 8.0 34.7 30.5 80.7 65 65 A Q T < 5S+ 0 0 175 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.608 73.3 128.2 55.5 23.1 33.0 32.1 83.8 66 66 A V S - 0 0 131 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.834 27.8-121.3 -95.8 148.2 35.1 36.7 88.3 69 69 A R G > S+ 0 0 35 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.892 114.0 60.9 -52.8 -40.1 37.9 39.3 87.8 70 70 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.699 100.2 56.2 -60.5 -22.1 37.0 40.8 91.2 71 71 A D G < S+ 0 0 78 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.416 95.5 82.0 -88.9 -0.9 37.8 37.4 92.7 72 72 A L < - 0 0 4 -3,-2.1 2,-0.5 -4,-0.3 -31,-0.2 -0.872 59.7-160.8-112.5 140.0 41.3 37.4 91.3 73 73 A F E -e 41 0B 9 -33,-3.2 -31,-1.9 -2,-0.4 2,-0.5 -0.973 18.4-176.7-117.7 111.3 44.4 39.1 92.8 74 74 A I E -e 42 0B 0 -2,-0.5 31,-1.9 -33,-0.2 32,-1.2 -0.955 3.0-168.8-119.5 128.6 47.0 39.5 90.0 75 75 A V E +ef 43 106B 0 -33,-2.3 -31,-2.3 -2,-0.5 2,-0.3 -0.913 9.8 170.0-115.9 140.4 50.4 40.9 90.7 76 76 A S E - f 0 107B 0 30,-1.7 32,-2.2 -2,-0.4 2,-0.4 -0.930 21.1-132.2-139.8 174.0 53.1 42.0 88.3 77 77 A K E - f 0 108B 0 -2,-0.3 -31,-1.2 30,-0.2 2,-0.5 -0.975 14.6-120.2-136.4 138.7 56.3 44.0 88.8 78 78 A L E - f 0 109B 0 30,-2.7 32,-2.0 -2,-0.4 33,-0.4 -0.626 39.8-128.9 -71.4 119.0 58.1 46.9 87.0 79 79 A W > - 0 0 15 -2,-0.5 3,-1.9 30,-0.1 36,-0.1 -0.285 18.7-107.0 -78.1 159.5 61.5 45.6 85.8 80 80 A C G > S+ 0 0 0 1,-0.3 35,-2.1 2,-0.2 3,-0.9 0.745 115.6 59.1 -57.5 -29.6 64.8 47.4 86.5 81 81 A T G 3 S+ 0 0 8 1,-0.2 3,-0.4 33,-0.2 -1,-0.3 0.706 101.8 58.9 -74.5 -12.2 65.3 48.8 83.0 82 82 A D G < + 0 0 34 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.082 69.1 106.1-107.6 27.4 62.0 50.7 83.4 83 83 A H < + 0 0 0 -3,-0.9 -1,-0.2 32,-0.3 2,-0.1 0.713 46.0 104.8 -79.3 -25.1 62.8 52.8 86.4 84 84 A E S >> S- 0 0 49 -3,-0.4 3,-2.7 1,-0.1 4,-0.8 -0.454 83.5-120.8 -57.7 129.0 63.2 56.1 84.5 85 85 A K G >4 S+ 0 0 98 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.800 109.8 53.6 -41.1 -42.8 59.9 58.0 85.4 86 86 A N G 34 S+ 0 0 125 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.652 105.2 54.5 -73.0 -17.3 58.9 58.3 81.7 87 87 A L G <> S+ 0 0 53 -3,-2.7 4,-2.2 1,-0.1 -1,-0.2 0.663 87.5 82.4 -92.4 -11.4 59.2 54.5 81.0 88 88 A V H S+ 0 0 87 -4,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.931 113.2 52.7 -65.1 -37.3 53.4 53.7 82.3 90 90 A G H > S+ 0 0 33 -4,-0.4 4,-3.0 1,-0.2 -2,-0.2 0.953 110.2 46.8 -58.4 -52.5 54.7 52.0 79.1 91 91 A A H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.888 113.0 49.1 -59.2 -38.7 56.0 49.1 81.1 92 92 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.973 111.8 49.6 -66.8 -47.7 52.8 48.8 83.1 93 93 A Q H X S+ 0 0 93 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.901 107.5 52.9 -58.3 -44.7 50.7 48.9 79.8 94 94 A T H X S+ 0 0 43 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.923 111.2 48.7 -57.0 -42.5 52.8 46.2 78.1 95 95 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.851 110.2 50.5 -64.9 -38.3 52.2 44.0 81.2 96 96 A L H X>S+ 0 0 13 -4,-2.2 5,-2.4 2,-0.2 4,-1.1 0.955 111.5 47.5 -65.5 -43.6 48.4 44.7 81.1 97 97 A R H ><5S+ 0 0 151 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.934 113.0 48.2 -65.1 -45.9 48.2 43.9 77.4 98 98 A D H 3<5S+ 0 0 36 -4,-2.5 -43,-0.3 1,-0.3 -1,-0.2 0.848 114.5 45.4 -60.6 -37.5 50.2 40.6 77.8 99 99 A L H 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.615 109.6-128.5 -80.3 -12.3 48.1 39.6 80.8 100 100 A K T <<5 + 0 0 69 -4,-1.1 2,-0.3 -3,-0.7 -3,-0.2 0.913 63.2 133.7 62.2 48.8 44.9 40.6 78.8 101 101 A L < - 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