==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-MAR-00 1EL3 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.PODJARNY . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 63.0 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 . 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 . 42 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.9 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 2 0 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 1AA M 0 0 110 0, 0.0 254,-0.0 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 166.1 17.8 12.7 40.1 2 1BA A - 0 0 76 1,-0.2 13,-0.1 2,-0.0 0, 0.0 -0.194 360.0-144.8 -50.9 134.8 14.1 12.2 39.3 3 2 A S S S+ 0 0 69 11,-0.1 12,-2.4 12,-0.1 13,-0.5 0.622 79.9 45.7 -80.3 -12.0 13.3 8.6 38.8 4 3 A R E S-A 14 0A 123 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.953 70.3-141.6-133.3 153.0 10.8 9.3 36.0 5 4 A L E -A 13 0A 38 8,-3.0 8,-2.9 -2,-0.3 2,-0.4 -0.906 25.1-116.0-114.8 140.2 10.6 11.5 32.9 6 5 A L E -A 12 0A 98 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.565 28.2-154.3 -76.8 127.5 7.6 13.4 31.6 7 6 A L > - 0 0 3 4,-2.9 3,-1.8 -2,-0.4 198,-0.1 -0.568 29.6-109.2 -95.1 163.1 6.2 12.2 28.2 8 7 A N T 3 S+ 0 0 76 196,-0.3 171,-0.1 1,-0.3 -1,-0.1 0.474 116.9 64.3 -74.4 3.6 4.3 14.5 25.8 9 8 A N T 3 S- 0 0 61 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.378 120.6-106.0-102.5 2.5 1.1 12.5 26.6 10 9 A G S < S+ 0 0 58 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.359 82.4 121.0 92.3 -7.7 1.3 13.6 30.2 11 10 A A - 0 0 18 144,-0.1 -4,-2.9 95,-0.1 2,-0.5 -0.542 60.3-126.4 -90.6 156.3 2.5 10.3 31.6 12 11 A K E -A 6 0A 107 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.874 20.0-158.0-104.3 130.6 5.7 9.7 33.6 13 12 A M E -A 5 0A 2 -8,-2.9 -8,-3.0 -2,-0.5 2,-0.1 -0.922 23.7-115.3-112.0 125.8 8.1 7.0 32.3 14 13 A P E -A 4 0A 15 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.338 19.1-141.4 -58.0 129.0 10.6 5.4 34.7 15 14 A I S S+ 0 0 10 -12,-2.4 245,-3.0 244,-0.1 2,-0.5 0.673 87.1 55.7 -69.3 -15.0 14.1 6.3 33.4 16 15 A L B +b 260 0B 4 -13,-0.5 25,-0.5 243,-0.2 26,-0.4 -0.971 68.8 164.5-121.2 124.7 15.5 2.9 34.3 17 16 A G - 0 0 0 243,-2.5 2,-0.5 -2,-0.5 26,-0.2 -0.841 36.7-108.0-131.6 171.6 13.8 -0.3 32.8 18 17 A L E -c 43 0B 2 24,-2.5 26,-2.8 -2,-0.3 245,-0.2 -0.884 28.4-142.9-104.2 125.2 14.6 -4.0 32.4 19 18 A G E -cd 44 263B 5 243,-2.4 245,-0.7 -2,-0.5 26,-0.1 -0.523 13.6-172.6 -82.5 153.3 15.4 -5.3 28.9 20 19 A T > + 0 0 0 24,-0.7 3,-1.6 -2,-0.2 2,-0.3 0.334 37.3 125.9-129.5 7.6 14.2 -8.7 27.8 21 20 A W T 3 S+ 0 0 69 1,-0.3 -2,-0.1 23,-0.1 28,-0.1 -0.539 88.1 8.6 -70.7 130.5 15.7 -9.5 24.4 22 21 A K T 3 S+ 0 0 49 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.462 91.0 139.0 79.7 0.0 17.6 -12.8 24.5 23 22 A S < - 0 0 5 -3,-1.6 -1,-0.3 1,-0.1 5,-0.1 -0.694 58.9-118.8 -79.3 114.4 16.2 -13.5 28.0 24 23 A P >> - 0 0 45 0, 0.0 4,-3.0 0, 0.0 3,-2.0 -0.165 11.8-124.2 -53.5 141.2 15.3 -17.3 27.9 25 24 A P H 3> S+ 0 0 65 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.859 112.2 54.5 -56.0 -34.4 11.6 -18.2 28.5 26 25 A G H 34 S+ 0 0 79 1,-0.2 4,-0.1 2,-0.1 25,-0.0 0.539 119.8 30.2 -79.7 -3.9 12.6 -20.4 31.3 27 26 A Q H <> S+ 0 0 95 -3,-2.0 4,-2.1 2,-0.1 3,-0.2 0.590 100.4 77.1-124.4 -23.5 14.5 -17.7 33.1 28 27 A V H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.824 88.6 60.0 -63.1 -30.1 12.7 -14.4 32.2 29 28 A T H X S+ 0 0 29 -4,-0.6 4,-1.9 -5,-0.2 -1,-0.2 0.961 110.9 40.6 -64.1 -46.5 9.8 -15.0 34.6 30 29 A E H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.889 112.8 56.3 -68.0 -37.0 12.2 -15.1 37.6 31 30 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.953 110.6 43.2 -60.5 -48.0 14.2 -12.2 36.2 32 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.884 112.7 52.9 -67.3 -36.6 11.1 -9.9 36.0 33 32 A K H X S+ 0 0 59 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.938 112.2 44.7 -64.5 -44.4 9.8 -10.9 39.4 34 33 A V H X S+ 0 0 34 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.908 111.1 54.6 -66.5 -40.1 13.2 -10.1 41.0 35 34 A A H X>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.3 4,-1.1 0.953 109.6 46.1 -59.5 -48.4 13.4 -6.8 39.1 36 35 A I H ><5S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.937 111.2 52.9 -61.5 -42.3 10.0 -5.7 40.4 37 36 A D H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 110.6 48.3 -58.6 -38.5 10.9 -6.8 44.0 38 37 A V H 3<5S- 0 0 56 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.641 132.0 -86.7 -79.8 -15.7 14.1 -4.7 43.7 39 38 A G T <<5S+ 0 0 21 -4,-1.1 -3,-0.2 -3,-0.8 -2,-0.1 0.339 75.4 142.1 130.0 -11.2 12.3 -1.6 42.4 40 39 A Y < + 0 0 1 -5,-2.3 -1,-0.3 -6,-0.2 -23,-0.1 -0.382 13.7 169.1 -63.4 138.6 12.0 -1.8 38.6 41 40 A R + 0 0 71 -25,-0.5 33,-3.1 1,-0.1 2,-0.4 0.300 58.6 71.3-130.3 3.4 8.7 -0.4 37.3 42 41 A H E - e 0 74B 1 -26,-0.4 -24,-2.5 31,-0.2 2,-0.4 -0.979 56.3-177.4-128.0 123.2 9.5 -0.3 33.6 43 42 A I E -ce 18 75B 0 31,-1.8 33,-2.3 -2,-0.4 2,-0.6 -0.982 15.4-148.5-122.5 130.6 9.9 -3.5 31.4 44 43 A D E +ce 19 76B 5 -26,-2.8 -24,-0.7 -2,-0.4 2,-0.2 -0.873 29.9 163.7-101.3 119.4 10.8 -3.4 27.8 45 44 A C - 0 0 0 31,-2.6 2,-0.3 -2,-0.6 3,-0.1 -0.704 19.8-169.2-125.8 178.6 9.3 -6.2 25.7 46 45 A A > - 0 0 0 31,-0.2 3,-1.4 -2,-0.2 5,-0.5 -0.921 31.4-128.3-168.2 140.7 8.6 -7.2 22.1 47 46 A H G > S+ 0 0 34 31,-0.9 3,-1.8 -2,-0.3 5,-0.2 0.903 109.8 62.5 -60.2 -37.8 6.6 -9.9 20.3 48 47 A V G 3 S+ 0 0 26 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.685 89.0 69.5 -64.2 -15.4 9.7 -10.8 18.3 49 48 A Y G < S- 0 0 38 -3,-1.4 -1,-0.3 -28,-0.1 -27,-0.2 0.677 94.7-142.6 -76.7 -15.7 11.6 -11.8 21.5 50 49 A Q S < S+ 0 0 140 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.786 78.3 87.6 61.1 29.3 9.3 -14.8 21.8 51 50 A N > + 0 0 2 -5,-0.5 4,-1.9 2,-0.1 5,-0.2 0.215 43.3 111.4-139.9 16.3 9.0 -14.5 25.7 52 51 A E H > S+ 0 0 3 -6,-0.2 4,-2.2 1,-0.2 5,-0.1 0.830 76.7 57.4 -64.5 -30.1 6.1 -12.2 26.3 53 52 A N H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.949 110.0 44.2 -66.1 -42.9 3.9 -14.9 27.7 54 53 A E H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.847 111.4 52.8 -70.3 -33.3 6.6 -15.7 30.4 55 54 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.926 107.5 54.0 -66.5 -41.2 7.1 -12.0 31.1 56 55 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.859 101.7 57.8 -60.9 -34.7 3.3 -11.7 31.6 57 56 A V H X S+ 0 0 54 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.927 107.4 47.9 -62.4 -42.6 3.4 -14.5 34.1 58 57 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.937 112.4 48.5 -64.1 -46.5 5.9 -12.6 36.3 59 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.939 111.8 48.7 -60.8 -47.5 3.8 -9.4 36.1 60 59 A Q H X S+ 0 0 77 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.912 109.8 52.4 -61.7 -40.9 0.5 -11.1 37.0 61 60 A E H X S+ 0 0 67 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.920 111.0 46.5 -62.8 -41.8 2.1 -12.8 40.0 62 61 A K H <>S+ 0 0 14 -4,-2.1 5,-2.3 2,-0.2 6,-1.1 0.835 113.1 48.9 -71.4 -30.3 3.5 -9.6 41.4 63 62 A L H ><5S+ 0 0 36 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.939 113.4 48.1 -71.3 -44.3 0.1 -7.8 40.8 64 63 A R H 3<5S+ 0 0 175 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.879 110.2 50.4 -62.8 -38.3 -1.6 -10.7 42.5 65 64 A E T 3<5S- 0 0 93 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.622 111.9-125.8 -75.1 -10.9 0.8 -10.7 45.5 66 65 A Q T < 5S+ 0 0 174 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.843 70.4 133.6 68.2 34.6 0.1 -6.9 45.7 67 66 A V S > - 0 0 101 -2,-0.3 3,-1.4 -3,-0.1 4,-0.6 -0.775 31.5-114.9-104.7 154.4 -0.4 -1.9 41.3 70 69 A R G >4 S+ 0 0 30 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.910 114.6 58.6 -56.3 -42.7 -0.9 -1.9 37.6 71 70 A E G 34 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.708 100.6 58.5 -62.3 -17.2 -0.9 2.0 37.4 72 71 A E G <4 S+ 0 0 93 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.647 94.1 81.5 -86.5 -16.0 2.6 1.9 38.9 73 72 A L << - 0 0 3 -3,-1.6 2,-0.5 -4,-0.6 -31,-0.2 -0.602 62.3-156.3 -92.4 152.1 4.1 -0.2 36.1 74 73 A F E -e 42 0B 8 -33,-3.1 -31,-1.8 -2,-0.2 2,-0.5 -0.896 17.5-172.9-127.8 98.8 5.2 1.0 32.7 75 74 A I E -e 43 0B 0 -2,-0.5 32,-1.5 -33,-0.2 31,-1.4 -0.827 0.5-170.5-101.6 127.7 5.1 -1.8 30.2 76 75 A V E +ef 44 107B 0 -33,-2.3 -31,-2.6 -2,-0.5 2,-0.3 -0.912 9.5 167.4-118.4 138.9 6.4 -1.3 26.7 77 76 A S E - f 0 108B 0 30,-1.8 32,-2.3 -2,-0.4 2,-0.4 -0.874 21.9-130.4-137.7 176.0 6.1 -3.6 23.6 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-0.9 30,-0.2 2,-0.5 -0.981 13.6-122.0-138.5 144.9 6.9 -3.2 19.9 79 78 A L E - f 0 110B 0 30,-3.4 32,-1.8 -2,-0.4 33,-0.4 -0.687 37.3-129.7 -80.9 120.9 5.1 -3.8 16.6 80 79 A W > - 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