==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-01 1IEI . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KINOSHITA,H.MIYAKE,T.FUJII,S.TAKAKURA,T.GOTO . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.1 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 . 2 0.6 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 . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 0 3 0 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 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 A 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.1 7.7 1.0 -19.1 2 2 A S + 0 0 59 2,-0.1 12,-2.3 13,-0.0 2,-0.4 -0.443 360.0 79.4 -73.6 37.3 4.6 0.9 -17.1 3 3 A R E S-A 13 0A 124 10,-0.3 2,-0.1 11,-0.1 255,-0.0 -0.859 70.1-137.6-170.1 106.7 6.9 -0.7 -14.6 4 4 A L E -A 12 0A 33 8,-2.1 8,-2.6 -2,-0.4 2,-0.7 -0.408 26.1-110.2 -79.4 156.7 9.5 0.2 -12.1 5 5 A L E -A 11 0A 132 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.781 27.7-158.0 -82.8 101.8 12.9 -1.4 -11.3 6 6 A L > - 0 0 1 4,-3.0 3,-1.6 -2,-0.7 174,-0.1 -0.449 28.9-116.4 -71.4 150.4 13.2 -3.3 -7.9 7 7 A N T 3 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 171,-0.1 0.682 116.1 63.5 -56.4 -18.4 16.6 -3.9 -6.3 8 8 A N T 3 S- 0 0 62 2,-0.1 -1,-0.3 170,-0.0 3,-0.1 0.228 122.7-106.7 -93.6 19.8 16.0 -7.5 -6.8 9 9 A G S < S+ 0 0 59 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.0 0.302 79.3 132.4 72.2 -6.7 16.0 -7.1 -10.5 10 10 A A - 0 0 32 144,-0.1 -4,-3.0 -5,-0.1 2,-0.7 -0.293 55.4-122.4 -86.0 168.6 12.4 -7.5 -10.6 11 11 A K E -A 5 0A 120 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.902 20.2-169.6-121.5 111.3 9.7 -5.5 -12.3 12 12 A M E -A 4 0A 1 -8,-2.6 -8,-2.1 -2,-0.7 2,-0.1 -0.813 24.7-122.1 -96.0 124.7 6.8 -4.0 -10.5 13 13 A P E -A 3 0A 19 0, 0.0 -10,-0.3 0, 0.0 26,-0.0 -0.415 16.6-130.3 -69.9 145.8 3.8 -2.4 -12.4 14 14 A I S S+ 0 0 23 -12,-2.3 245,-2.7 1,-0.1 2,-0.4 0.641 86.4 49.1 -64.3 -16.4 3.0 1.3 -11.7 15 15 A L B +b 259 0B 4 -13,-0.3 26,-0.6 243,-0.2 2,-0.4 -0.978 64.5 170.3-135.7 112.6 -0.6 0.8 -11.1 16 16 A G E -c 41 0B 0 243,-2.8 2,-1.2 -2,-0.4 26,-0.2 -0.953 34.9-109.2-140.6 160.0 -2.5 -1.6 -9.0 17 17 A L E -c 42 0B 3 24,-1.9 26,-1.9 -2,-0.4 245,-0.2 -0.510 31.5-147.7 -73.7 105.4 -5.8 -2.5 -7.5 18 18 A G E -cd 43 262B 7 243,-2.0 245,-0.6 -2,-1.2 26,-0.1 -0.338 9.2-166.2 -56.4 152.8 -6.1 -1.9 -3.9 19 19 A T > + 0 0 2 24,-1.1 3,-1.0 243,-0.2 2,-0.5 0.206 42.4 124.4-134.7 1.7 -8.3 -4.2 -1.8 20 20 A W T 3 S+ 0 0 69 23,-0.2 -2,-0.0 1,-0.2 29,-0.0 -0.692 82.2 18.7 -68.0 120.4 -8.8 -2.5 1.6 21 21 A K T 3 S+ 0 0 40 -2,-0.5 -1,-0.2 27,-0.2 243,-0.1 0.051 89.3 132.4 100.7 -1.6 -12.5 -2.1 2.2 22 22 A S < - 0 0 6 -3,-1.0 -1,-0.1 1,-0.1 5,-0.1 -0.500 52.5-134.2 -90.5 106.2 -13.6 -4.6 -0.2 23 23 A P >> - 0 0 59 0, 0.0 3,-1.9 0, 0.0 4,-1.1 -0.123 20.9-117.3 -62.2 151.2 -16.2 -7.1 1.1 24 24 A P T 34 S+ 0 0 63 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.779 118.6 60.7 -48.5 -28.1 -15.7 -10.8 0.5 25 25 A G T 34 S+ 0 0 73 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.689 113.8 32.1 -66.4 -27.1 -19.0 -10.4 -1.4 26 26 A Q T <> S+ 0 0 106 -3,-1.9 4,-1.0 2,-0.1 -1,-0.2 0.398 99.5 80.8-104.8 -3.7 -17.5 -7.9 -3.9 27 27 A V H X S+ 0 0 2 -4,-1.1 4,-2.3 2,-0.2 5,-0.2 0.871 83.3 53.1 -92.1 -30.0 -13.9 -8.9 -4.3 28 28 A T H > S+ 0 0 24 -4,-0.5 4,-3.1 2,-0.2 5,-0.2 0.968 114.1 45.1 -60.7 -50.4 -13.7 -11.8 -6.8 29 29 A E H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.909 112.9 53.3 -54.1 -34.6 -15.7 -9.8 -9.4 30 30 A A H X S+ 0 0 2 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.962 113.6 39.9 -70.0 -48.1 -13.5 -6.8 -8.6 31 31 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.930 113.5 53.4 -63.0 -52.4 -10.3 -8.6 -9.2 32 32 A K H X S+ 0 0 38 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.884 111.9 46.0 -56.1 -41.7 -11.5 -10.6 -12.3 33 33 A V H X S+ 0 0 46 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.827 110.7 54.0 -64.2 -32.4 -12.6 -7.4 -14.0 34 34 A A H X>S+ 0 0 3 -4,-1.4 4,-2.4 -5,-0.3 5,-1.7 0.931 110.2 47.0 -66.3 -41.8 -9.3 -5.8 -13.1 35 35 A I H <5S+ 0 0 8 -4,-2.7 3,-0.3 2,-0.2 -2,-0.2 0.973 110.5 50.6 -58.4 -49.9 -7.5 -8.6 -14.7 36 36 A D H <5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.928 115.0 47.7 -58.0 -36.5 -9.7 -8.5 -17.8 37 37 A V H <5S- 0 0 48 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.793 125.1 -96.0 -63.1 -39.3 -9.0 -4.8 -17.9 38 38 A G T <5S+ 0 0 20 -4,-2.4 2,-0.7 -3,-0.3 -3,-0.2 0.413 71.1 136.2 135.0 -16.9 -5.3 -5.0 -17.4 39 39 A Y < + 0 0 6 -5,-1.7 -1,-0.3 1,-0.2 -23,-0.1 -0.540 17.6 173.2 -67.5 118.6 -4.1 -4.5 -13.9 40 40 A R + 0 0 58 -2,-0.7 33,-2.6 -25,-0.3 2,-0.4 0.559 58.4 73.5 -99.2 -7.2 -1.5 -7.0 -13.1 41 41 A H E +ce 16 73B 2 -26,-0.6 -24,-1.9 31,-0.2 2,-0.4 -0.889 56.5 176.9-109.3 130.4 -0.7 -5.6 -9.7 42 42 A I E -ce 17 74B 12 31,-2.2 33,-2.0 -2,-0.4 2,-0.7 -0.991 22.7-141.0-135.9 142.9 -2.7 -5.9 -6.6 43 43 A D E +ce 18 75B 4 -26,-1.9 -24,-1.1 -2,-0.4 -23,-0.2 -0.884 32.0 161.6-109.8 109.5 -2.4 -4.9 -3.0 44 44 A C - 0 0 0 31,-2.7 2,-0.3 -2,-0.7 -24,-0.1 -0.455 13.5-172.8 -96.0 174.6 -3.7 -7.4 -0.4 45 45 A A - 0 0 0 31,-0.2 6,-0.6 -2,-0.2 4,-0.4 -0.971 35.2-119.4-166.3 158.7 -3.2 -8.0 3.3 46 46 A H S > S+ 0 0 40 31,-1.0 3,-0.7 -2,-0.3 32,-0.1 0.869 112.6 55.9 -71.5 -29.5 -4.2 -10.5 6.0 47 47 A V T 3 S+ 0 0 21 1,-0.2 -1,-0.2 30,-0.1 74,-0.1 0.836 87.6 74.4 -61.6 -32.5 -6.0 -7.9 7.9 48 48 A Y T 3 S- 0 0 46 -3,-0.3 -1,-0.2 1,-0.2 -27,-0.2 0.757 93.4-143.9 -57.8 -20.1 -8.3 -6.9 5.0 49 49 A Q S < S+ 0 0 136 -3,-0.7 -1,-0.2 -4,-0.4 -3,-0.1 0.500 80.1 84.8 65.3 10.6 -10.0 -10.2 5.9 50 50 A N >> + 0 0 0 -5,-0.4 3,-2.1 -31,-0.1 4,-1.9 0.468 43.5 109.3-118.5 -9.8 -10.6 -10.8 2.1 51 51 A E H 3> S+ 0 0 4 -6,-0.6 4,-3.2 1,-0.3 -5,-0.1 0.835 77.5 59.3 -28.8 -56.0 -7.4 -12.3 0.8 52 52 A N H 3> S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.780 109.8 43.4 -53.5 -28.4 -9.1 -15.8 0.2 53 53 A E H <> S+ 0 0 56 -3,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.868 107.4 55.6 -97.0 -25.3 -11.5 -14.2 -2.0 54 54 A V H >X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.1 3,-0.7 0.955 107.3 58.0 -49.7 -50.7 -9.0 -12.1 -3.9 55 55 A G H 3X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.935 96.8 54.6 -45.7 -67.3 -7.3 -15.4 -4.5 56 56 A V H 3X S+ 0 0 57 -4,-1.4 4,-3.2 1,-0.2 -1,-0.2 0.777 106.2 54.2 -52.7 -24.7 -10.1 -17.4 -6.2 57 57 A A H S+ 0 0 5 -4,-1.9 5,-2.0 -3,-0.2 4,-1.4 0.936 112.3 43.7 -77.2 -39.2 -8.2 -15.9 -14.2 62 62 A L H ><5S+ 0 0 49 -4,-2.8 3,-0.7 3,-0.2 -2,-0.2 0.992 121.8 37.7 -45.7 -75.9 -5.1 -18.1 -14.4 63 63 A R H 3<5S+ 0 0 169 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.956 114.0 53.6 -67.9 -38.8 -7.0 -21.3 -15.0 64 64 A E H 3<5S- 0 0 100 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.894 118.2-114.9 -46.3 -40.0 -9.6 -19.7 -17.2 65 65 A Q T <<5S+ 0 0 158 -4,-1.4 -3,-0.2 -3,-0.7 -2,-0.1 0.352 80.0 112.2 121.5 2.6 -6.6 -18.3 -19.3 66 66 A V S > - 0 0 132 -2,-0.4 3,-2.9 1,-0.1 4,-1.2 -0.845 25.0-123.7 -94.5 137.0 0.0 -16.1 -16.4 69 69 A R G >4 S+ 0 0 41 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.859 112.2 60.7 -31.2 -51.9 1.4 -16.4 -12.9 70 70 A E G 34 S+ 0 0 144 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.741 102.6 51.5 -38.4 -39.1 4.7 -14.9 -14.0 71 71 A E G <4 S+ 0 0 98 -3,-2.9 -1,-0.2 2,-0.0 -2,-0.2 0.606 91.9 94.7 -94.2 -15.2 2.9 -11.6 -15.1 72 72 A L << - 0 0 8 -4,-1.2 2,-0.2 -3,-1.0 -31,-0.2 -0.293 57.5-157.6 -62.6 153.6 1.2 -11.1 -12.0 73 73 A F E -e 41 0B 9 -33,-2.6 -31,-2.2 -2,-0.1 2,-0.6 -0.732 14.3-177.5-133.6 93.5 2.4 -9.0 -9.1 74 74 A I E -e 42 0B 2 -2,-0.2 31,-2.0 -33,-0.2 32,-1.1 -0.749 1.9-173.0 -82.7 126.1 0.8 -9.9 -5.9 75 75 A V E +ef 43 106B 1 -33,-2.0 -31,-2.7 -2,-0.6 2,-0.2 -0.952 11.3 160.2-111.7 140.1 1.7 -7.9 -2.8 76 76 A S E - f 0 107B 0 30,-1.1 32,-2.5 -2,-0.4 2,-0.4 -0.874 21.3-124.9-144.0 179.4 0.6 -8.7 0.9 77 77 A K E - f 0 108B 0 -2,-0.2 -31,-1.0 30,-0.2 2,-0.5 -0.977 13.2-114.6-142.1 148.5 1.5 -7.9 4.5 78 78 A L E - f 0 109B 0 30,-3.0 32,-1.8 -2,-0.4 33,-0.5 -0.677 38.6-128.2 -59.1 104.5 2.5 -9.0 8.0 79 79 A W > - 0 0 9 -2,-0.5 3,-1.8 31,-0.1 12,-0.1 -0.269 21.6-112.4 -57.5 147.6 0.0 -8.2 10.7 80 80 A C G > S+ 0 0 3 1,-0.3 35,-2.8 41,-0.2 3,-0.8 0.759 112.2 69.6 -51.5 -34.3 1.0 -6.4 13.9 81 81 A T G 3 S+ 0 0 2 1,-0.2 -1,-0.3 33,-0.2 33,-0.1 0.239 99.2 46.5 -60.7 -10.9 0.3 -9.7 15.8 82 82 A Y G < + 0 0 54 -3,-1.8 -1,-0.2 35,-0.1 -2,-0.1 -0.160 61.1 119.7-141.8 43.5 3.3 -11.7 14.3 83 83 A H < + 0 0 7 -3,-0.8 53,-0.4 32,-0.4 2,-0.4 0.612 52.7 110.5 -68.4 -19.4 6.2 -9.3 14.6 84 84 A E S >> S- 0 0 69 1,-0.2 4,-1.6 51,-0.1 3,-1.4 -0.538 75.3-140.2 -48.8 110.8 7.4 -12.2 16.7 85 85 A K H 3> S+ 0 0 110 -2,-0.4 4,-0.9 1,-0.3 3,-0.4 0.897 102.8 57.0 -54.7 -34.6 10.2 -13.7 14.6 86 86 A G H 34 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.864 113.8 40.0 -53.8 -38.3 8.9 -17.2 15.5 87 87 A L H <> S+ 0 0 72 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.655 89.9 84.6 -89.1 -16.7 5.5 -16.3 14.2 88 88 A V H >X S+ 0 0 0 -4,-1.6 4,-1.6 -3,-0.4 3,-1.2 0.983 88.7 61.8 -47.1 -60.3 6.5 -14.3 11.0 89 89 A K H 3X S+ 0 0 74 -4,-0.9 4,-1.9 1,-0.2 3,-0.4 0.787 103.0 43.0 -19.2 -68.9 6.7 -17.7 9.3 90 90 A G H 3> S+ 0 0 40 -4,-0.4 4,-2.6 1,-0.2 5,-0.3 0.834 106.1 65.9 -63.7 -24.4 3.1 -18.8 9.7 91 91 A A H S+ 0 0 8 -4,-2.2 4,-1.9 1,-0.2 5,-1.7 0.980 114.4 48.4 -70.6 -43.3 -0.2 -17.8 0.6 97 97 A S H <5S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.738 111.1 51.8 -46.2 -32.8 -2.7 -20.4 1.4 98 98 A D H 45S+ 0 0 17 -4,-0.4 -42,-0.2 1,-0.2 -2,-0.2 0.931 114.4 40.8 -77.7 -53.5 -5.3 -17.7 1.3 99 99 A L H <5S- 0 0 4 -4,-3.1 -2,-0.2 -44,-0.1 -40,-0.2 0.728 105.8-130.0 -55.1 -27.6 -4.1 -16.5 -2.0 100 100 A K T <5 + 0 0 127 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.763 66.8 118.2 62.1 29.5 -3.7 -20.0 -3.4 101 101 A L < - 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