==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-DEC-11 3V36 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.ZHENG,L.ZHANG,Y.CHEN,H.LUO,X.HU . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 63.3 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 . 13 4.1 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 . 83 26.3 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 3 2 1 0 1 3 0 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 0 111 0, 0.0 2,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 164.2 15.3 -13.4 19.1 2 1 A A - 0 0 72 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.373 360.0-141.8 -67.3 141.6 14.8 -12.5 15.5 3 2 A S S S+ 0 0 70 -2,-0.1 12,-2.4 11,-0.1 13,-0.5 0.613 83.9 38.2 -79.3 -15.1 14.3 -8.8 14.7 4 3 A R E -A 14 0A 119 10,-0.3 2,-0.3 11,-0.1 -2,-0.1 -0.942 68.8-149.5-132.6 155.1 11.7 -9.5 12.0 5 4 A L E -A 13 0A 35 8,-2.5 8,-3.0 -2,-0.3 2,-0.3 -0.938 27.1-101.9-126.5 159.2 8.8 -12.0 11.6 6 5 A L E -A 12 0A 114 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.534 29.7-155.0 -81.2 130.0 7.3 -13.6 8.5 7 6 A L > - 0 0 5 4,-3.3 3,-1.8 -2,-0.3 198,-0.1 -0.578 31.9-107.6 -93.9 165.7 4.0 -12.3 7.1 8 7 A N T 3 S+ 0 0 72 1,-0.3 171,-0.1 196,-0.2 -1,-0.1 0.474 117.8 63.3 -75.9 -0.0 1.6 -14.3 5.0 9 8 A N T 3 S- 0 0 63 2,-0.2 -1,-0.3 169,-0.1 3,-0.1 0.350 121.7-106.0 -95.1 2.5 2.6 -12.4 1.9 10 9 A G S < S+ 0 0 57 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.420 82.6 122.9 89.2 -1.0 6.1 -13.8 2.3 11 10 A A - 0 0 14 144,-0.1 -4,-3.3 95,-0.1 2,-0.4 -0.628 60.2-123.0 -94.5 154.4 7.5 -10.5 3.5 12 11 A K E -A 6 0A 114 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.826 20.8-157.2 -99.7 134.0 9.4 -9.9 6.8 13 12 A M E -A 5 0A 2 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.1 -0.934 21.9-118.2-113.6 124.9 8.1 -7.3 9.2 14 13 A P E -A 4 0A 12 0, 0.0 -10,-0.3 0, 0.0 246,-0.1 -0.420 17.6-143.7 -59.5 129.0 10.3 -5.6 11.9 15 14 A I S S+ 0 0 7 -12,-2.4 245,-3.1 -2,-0.1 2,-0.5 0.615 85.7 58.6 -75.9 -12.7 8.9 -6.5 15.3 16 15 A L B +b 260 0B 6 -13,-0.5 25,-0.5 243,-0.2 26,-0.4 -0.978 67.7 164.9-118.5 127.6 9.8 -3.1 16.6 17 16 A G - 0 0 0 243,-2.4 2,-0.6 -2,-0.5 26,-0.2 -0.899 37.3-110.7-132.7 165.0 8.5 0.1 15.0 18 17 A L E -c 43 0B 2 24,-2.4 26,-3.0 -2,-0.3 245,-0.2 -0.873 30.5-143.4 -95.4 123.4 8.2 3.8 15.8 19 18 A G E -cd 44 263B 4 243,-1.8 245,-0.7 -2,-0.6 26,-0.1 -0.542 14.1-171.9 -81.1 153.6 4.6 5.1 16.4 20 19 A T > + 0 0 0 24,-0.6 3,-1.5 -2,-0.2 2,-0.3 0.325 37.5 126.2-130.5 6.3 3.6 8.6 15.2 21 20 A W T 3 S+ 0 0 67 1,-0.3 -2,-0.1 23,-0.1 28,-0.0 -0.558 88.7 8.3 -70.2 128.2 0.1 9.3 16.7 22 21 A K T 3 S+ 0 0 49 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.420 89.1 141.0 77.7 2.9 0.3 12.6 18.5 23 22 A S < - 0 0 4 -3,-1.5 -1,-0.3 241,-0.1 5,-0.1 -0.668 57.8-120.0 -75.5 114.5 3.8 13.4 17.3 24 23 A P >> - 0 0 49 0, 0.0 3,-2.3 0, 0.0 4,-2.3 -0.245 14.0-120.9 -60.1 143.8 3.7 17.1 16.6 25 24 A P H 3> S+ 0 0 74 0, 0.0 4,-0.5 0, 0.0 -2,-0.0 0.770 113.2 53.6 -54.7 -30.2 4.4 18.1 12.9 26 25 A G H 34 S+ 0 0 79 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.421 118.9 32.5 -86.8 -2.4 7.4 20.2 14.1 27 26 A Q H <> S+ 0 0 97 -3,-2.3 4,-2.1 2,-0.1 -1,-0.2 0.569 100.5 74.3-121.1 -22.3 9.0 17.4 16.0 28 27 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.807 89.7 59.6 -73.5 -28.0 8.1 14.2 14.1 29 28 A T H X S+ 0 0 26 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.964 111.9 39.9 -63.5 -49.4 10.6 14.8 11.2 30 29 A E H > S+ 0 0 106 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.891 113.1 57.1 -65.0 -36.8 13.5 14.9 13.6 31 30 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.928 110.0 43.0 -60.1 -46.1 12.0 12.0 15.6 32 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.882 113.1 52.6 -68.6 -39.5 11.8 9.7 12.5 33 32 A K H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.933 112.2 45.4 -57.6 -48.9 15.3 10.8 11.3 34 33 A V H X S+ 0 0 19 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.895 110.9 53.8 -61.1 -43.2 16.8 9.9 14.8 35 34 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.2 4,-0.4 0.949 111.0 44.6 -59.5 -50.6 14.9 6.6 14.8 36 35 A I H ><5S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.910 110.7 55.7 -60.6 -40.1 16.3 5.6 11.5 37 36 A D H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.9 46.1 -60.6 -33.1 19.8 6.7 12.6 38 37 A V T 3<5S- 0 0 54 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.361 131.7 -86.2 -96.4 5.9 19.6 4.5 15.7 39 38 A G T < 5S+ 0 0 20 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.321 73.5 145.5 116.8 -8.6 18.3 1.4 13.7 40 39 A Y < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -23,-0.1 -0.400 14.7 173.1 -62.4 139.5 14.5 1.6 13.4 41 40 A R + 0 0 75 -25,-0.5 33,-3.0 1,-0.1 2,-0.4 0.373 58.6 67.9-124.4 -4.1 13.3 0.1 10.1 42 41 A H E - e 0 74B 2 -26,-0.4 -24,-2.4 31,-0.2 2,-0.4 -0.983 57.1-173.5-129.9 122.9 9.5 0.2 10.7 43 42 A I E -ce 18 75B 0 31,-1.6 33,-2.4 -2,-0.4 2,-0.6 -0.974 14.4-146.6-117.9 131.1 7.4 3.3 11.0 44 43 A D E +ce 19 76B 4 -26,-3.0 -24,-0.6 -2,-0.4 2,-0.2 -0.886 31.2 163.4 -99.9 121.9 3.7 3.3 12.0 45 44 A C - 0 0 0 31,-2.1 2,-0.3 -2,-0.6 3,-0.1 -0.701 19.9-172.2-128.2 170.8 1.6 6.1 10.3 46 45 A A > > - 0 0 0 -2,-0.2 3,-1.2 31,-0.2 5,-0.5 -0.889 31.6-129.7-163.8 144.5 -1.9 7.2 9.4 47 46 A H G > 5S+ 0 0 34 31,-0.9 3,-1.8 -2,-0.3 5,-0.2 0.875 109.7 61.4 -55.2 -39.5 -3.6 9.9 7.4 48 47 A V G 3 5S+ 0 0 26 1,-0.3 -1,-0.2 30,-0.3 74,-0.1 0.679 89.2 69.0 -69.4 -15.4 -5.8 10.7 10.4 49 48 A Y G < 5S- 0 0 40 -3,-1.2 -1,-0.3 1,-0.1 -27,-0.2 0.636 95.8-142.3 -76.3 -14.5 -2.6 11.6 12.4 50 49 A Q T < 5S+ 0 0 146 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.634 77.8 89.9 65.4 19.0 -2.3 14.7 10.1 51 50 A N >< + 0 0 3 -5,-0.5 4,-2.1 2,-0.1 5,-0.2 0.180 41.2 111.7-129.4 19.0 1.5 14.4 10.1 52 51 A E H > S+ 0 0 4 1,-0.2 4,-2.4 -5,-0.2 5,-0.1 0.835 76.5 56.9 -67.4 -31.9 2.3 12.1 7.2 53 52 A N H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.938 110.8 44.0 -60.2 -45.0 4.0 14.9 5.1 54 53 A E H > S+ 0 0 52 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.860 112.5 51.0 -70.8 -38.0 6.4 15.6 7.9 55 54 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.919 109.2 54.0 -60.7 -42.2 7.1 11.9 8.5 56 55 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.830 100.1 58.9 -63.2 -36.5 7.7 11.6 4.8 57 56 A V H X S+ 0 0 64 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.937 107.9 47.4 -57.8 -45.4 10.3 14.4 4.8 58 57 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.947 112.9 47.2 -59.9 -52.2 12.3 12.3 7.3 59 58 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.906 112.8 49.3 -56.4 -46.5 12.1 9.1 5.3 60 59 A Q H X S+ 0 0 83 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.900 110.4 49.9 -63.4 -42.8 13.0 10.8 2.0 61 60 A E H X S+ 0 0 58 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.922 111.5 48.3 -64.0 -41.6 16.0 12.5 3.5 62 61 A K H <>S+ 0 0 14 -4,-2.3 5,-2.4 2,-0.2 6,-1.1 0.872 113.6 47.8 -69.4 -33.8 17.3 9.2 5.0 63 62 A L H ><5S+ 0 0 37 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.927 114.5 46.4 -65.7 -46.1 16.8 7.5 1.6 64 63 A R H 3<5S+ 0 0 156 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.890 111.6 50.0 -63.8 -42.8 18.5 10.3 -0.2 65 64 A E T 3<5S- 0 0 90 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.526 111.2-126.4 -69.8 -7.4 21.4 10.4 2.3 66 65 A Q T < 5 + 0 0 173 -3,-0.9 -3,-0.2 2,-0.2 3,-0.1 0.838 68.8 135.9 55.4 38.2 21.6 6.6 1.7 67 66 A V S > - 0 0 115 -2,-0.3 3,-1.3 -3,-0.1 4,-0.5 -0.704 28.6-118.5 -91.6 156.9 17.6 1.6 1.3 70 69 A R G >4 S+ 0 0 38 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.869 113.7 60.2 -63.3 -38.9 13.8 1.5 0.6 71 70 A E G 34 S+ 0 0 185 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.716 102.3 55.0 -57.8 -24.7 13.8 -2.3 0.6 72 71 A E G <4 S+ 0 0 89 -3,-1.3 -1,-0.3 2,-0.0 2,-0.3 0.593 95.0 83.2 -87.7 -14.2 15.0 -2.1 4.2 73 72 A L << - 0 0 2 -3,-1.4 2,-0.5 -4,-0.5 -31,-0.2 -0.638 60.1-159.3 -90.9 149.9 12.2 0.1 5.4 74 73 A F E -e 42 0B 7 -33,-3.0 -31,-1.6 -2,-0.3 2,-0.5 -0.885 15.5-172.9-127.9 98.2 8.8 -1.2 6.5 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.7 -33,-0.2 32,-1.6 -0.833 0.8-170.6-101.7 126.3 6.2 1.6 6.3 76 75 A V E +ef 44 107B 0 -33,-2.4 -31,-2.1 -2,-0.5 2,-0.3 -0.895 9.5 166.9-113.7 137.5 2.7 1.2 7.5 77 76 A S E - f 0 108B 0 30,-1.9 32,-2.2 -2,-0.4 2,-0.4 -0.864 22.4-129.0-137.0-176.7 -0.3 3.5 7.1 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-0.9 30,-0.2 2,-0.5 -0.991 13.7-122.1-143.0 137.6 -4.0 3.2 7.7 79 78 A L E - f 0 110B 0 30,-3.3 32,-1.9 -2,-0.4 33,-0.4 -0.681 37.9-129.2 -77.8 118.7 -7.3 3.9 5.7 80 79 A W > - 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