==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-NOV-07 3BCJ . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.T.ZHAO,O.EL-KABBANI . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13767.0 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 27.5 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 2 0 1 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 0 A M 0 0 100 0, 0.0 2,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 126.2 18.1 13.1 39.4 2 1 A A - 0 0 72 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.395 360.0-124.4 -75.4 151.3 14.5 12.3 39.4 3 2 A S S S+ 0 0 72 11,-0.1 12,-2.5 -2,-0.1 13,-0.4 0.684 85.6 44.5 -80.1 -23.4 13.3 8.8 38.6 4 3 A R E -A 14 0A 116 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.928 63.4-145.5-128.2 155.0 10.9 9.7 35.8 5 4 A I E -A 13 0A 37 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.915 27.3-116.6-116.3 141.6 10.8 11.9 32.7 6 5 A L E -A 12 0A 111 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.659 29.0-150.8 -81.5 128.0 7.7 13.7 31.4 7 6 A L > - 0 0 5 4,-3.0 3,-2.3 -2,-0.5 198,-0.1 -0.507 28.1-108.1 -91.8 163.0 6.5 12.6 28.0 8 7 A N T 3 S+ 0 0 65 196,-0.4 171,-0.1 1,-0.3 -1,-0.1 0.411 117.4 64.2 -76.2 4.8 4.6 14.7 25.5 9 8 A N T 3 S- 0 0 62 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.302 119.8-108.1 -99.5 4.2 1.5 12.7 26.2 10 9 A G S < S+ 0 0 60 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.379 83.1 116.0 87.4 -5.1 1.5 14.0 29.8 11 10 A A - 0 0 33 144,-0.1 -4,-3.0 95,-0.1 2,-0.4 -0.624 63.5-121.4 -94.4 158.4 2.6 10.7 31.4 12 11 A K E -A 6 0A 107 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.826 20.8-158.3-104.5 137.9 5.8 10.1 33.3 13 12 A M E -A 5 0A 1 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.944 23.6-115.8-116.8 126.8 8.2 7.4 32.2 14 13 A P E -A 4 0A 11 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.420 18.4-142.1 -61.6 131.6 10.8 5.8 34.5 15 14 A I S S+ 0 0 10 -12,-2.5 245,-2.9 -2,-0.2 2,-0.5 0.658 87.0 57.6 -72.9 -16.9 14.3 6.7 33.2 16 15 A L B +b 260 0B 2 -13,-0.4 25,-0.5 243,-0.2 2,-0.3 -0.964 67.8 164.5-114.4 129.4 15.6 3.2 34.1 17 16 A G - 0 0 0 243,-2.3 2,-0.6 -2,-0.5 26,-0.2 -0.924 37.2-108.8-134.0 166.2 14.0 0.1 32.7 18 17 A L E -c 43 0B 1 24,-2.4 26,-2.9 -2,-0.3 245,-0.2 -0.852 29.2-141.7 -96.1 123.0 14.8 -3.6 32.3 19 18 A G E -cd 44 263B 5 243,-2.0 245,-0.7 -2,-0.6 26,-0.1 -0.518 15.5-174.3 -78.5 153.2 15.7 -4.9 28.8 20 19 A T > + 0 0 0 24,-0.6 3,-1.6 -2,-0.2 2,-0.3 0.331 36.7 125.8-132.4 3.7 14.5 -8.3 27.7 21 20 A W T 3 S+ 0 0 67 1,-0.3 -2,-0.1 23,-0.1 28,-0.0 -0.560 90.5 6.4 -68.0 128.5 16.0 -9.0 24.3 22 21 A K T 3 S+ 0 0 51 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.391 89.8 141.6 78.8 0.4 17.8 -12.3 24.5 23 22 A S < - 0 0 3 -3,-1.6 -1,-0.3 1,-0.1 5,-0.1 -0.625 59.3-118.4 -71.8 118.3 16.5 -13.0 28.0 24 23 A P >> - 0 0 48 0, 0.0 3,-2.2 0, 0.0 4,-2.1 -0.263 12.7-124.4 -63.8 146.0 15.8 -16.7 27.9 25 24 A P H 3> S+ 0 0 70 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.816 111.5 55.3 -61.5 -28.7 12.2 -17.6 28.4 26 25 A G H 34 S+ 0 0 80 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.493 119.1 32.5 -80.1 -3.4 13.2 -19.9 31.3 27 26 A Q H <> S+ 0 0 95 -3,-2.2 4,-2.1 2,-0.1 -1,-0.2 0.556 99.6 76.5-120.2 -19.9 15.0 -17.1 33.1 28 27 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.803 87.6 60.0 -76.7 -26.6 13.1 -13.9 32.2 29 28 A T H X S+ 0 0 25 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.969 112.0 40.1 -62.0 -50.8 10.1 -14.5 34.6 30 29 A E H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 112.7 57.1 -64.3 -35.1 12.5 -14.5 37.6 31 30 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.914 110.8 42.4 -59.7 -45.3 14.5 -11.6 36.1 32 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.887 113.5 52.4 -69.7 -38.6 11.4 -9.4 35.9 33 32 A K H X S+ 0 0 53 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.941 113.0 44.6 -58.7 -48.6 10.2 -10.5 39.4 34 33 A V H X S+ 0 0 17 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.929 111.6 53.9 -60.4 -46.6 13.6 -9.6 40.8 35 34 A A H X>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 4,-0.5 0.944 111.2 44.2 -55.1 -50.3 13.7 -6.4 38.9 36 35 A I H ><5S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.930 111.6 54.7 -62.3 -41.3 10.3 -5.3 40.3 37 36 A D H 3<5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 110.8 45.6 -58.7 -35.4 11.3 -6.4 43.8 38 37 A V H 3<5S- 0 0 60 -4,-2.2 -1,-0.3 -3,-0.2 -2,-0.2 0.355 132.4 -83.3 -97.3 6.1 14.5 -4.2 43.7 39 38 A G T <<5S+ 0 0 19 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.274 75.3 143.0 123.8 -11.6 12.7 -1.2 42.3 40 39 A Y < + 0 0 1 -5,-2.6 -1,-0.3 -6,-0.2 -23,-0.1 -0.427 15.3 173.2 -64.5 139.5 12.4 -1.4 38.5 41 40 A R + 0 0 71 -25,-0.5 33,-2.0 1,-0.1 2,-0.4 0.198 60.1 65.3-129.3 11.9 9.1 0.1 37.3 42 41 A H E - e 0 74B 0 -26,-0.2 -24,-2.4 31,-0.2 2,-0.4 -0.996 56.4-173.2-142.8 127.0 9.7 -0.0 33.5 43 42 A I E -ce 18 75B 0 31,-1.6 33,-2.5 -2,-0.4 2,-0.6 -0.995 14.8-146.8-123.6 130.2 10.2 -3.2 31.4 44 43 A D E +ce 19 76B 4 -26,-2.9 -24,-0.6 -2,-0.4 2,-0.2 -0.896 31.4 165.5-100.9 122.9 11.2 -3.0 27.7 45 44 A C - 0 0 0 31,-2.3 2,-0.3 -2,-0.6 3,-0.1 -0.721 19.3-170.3-128.1 170.6 9.6 -5.8 25.7 46 45 A A > - 0 0 0 -2,-0.2 3,-1.4 31,-0.2 5,-0.5 -0.897 31.0-130.1-164.3 146.0 8.9 -6.8 22.1 47 46 A H G > S+ 0 0 34 31,-1.0 3,-1.9 -2,-0.3 5,-0.2 0.887 109.1 60.8 -58.4 -39.0 6.9 -9.5 20.3 48 47 A V G 3 S+ 0 0 26 30,-0.3 -1,-0.3 1,-0.3 74,-0.1 0.688 90.8 69.0 -66.0 -17.2 10.0 -10.4 18.2 49 48 A Y G < S- 0 0 37 -3,-1.4 -1,-0.3 1,-0.1 -27,-0.2 0.670 94.5-144.7 -73.3 -18.1 11.9 -11.3 21.4 50 49 A Q S < S+ 0 0 150 -3,-1.9 -3,-0.1 -4,-0.4 3,-0.1 0.500 76.6 89.9 70.0 14.3 9.5 -14.3 21.7 51 50 A N > + 0 0 2 -5,-0.5 4,-2.2 1,-0.1 5,-0.2 0.155 42.2 110.8-127.0 17.5 9.4 -14.1 25.6 52 51 A E H > S+ 0 0 3 -6,-0.2 4,-2.8 1,-0.2 5,-0.2 0.849 75.6 58.3 -67.1 -33.0 6.5 -11.8 26.3 53 52 A N H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 110.2 43.9 -57.7 -45.4 4.3 -14.5 27.8 54 53 A E H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.867 112.0 51.7 -70.7 -37.2 7.1 -15.2 30.4 55 54 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.937 109.6 52.8 -58.6 -45.4 7.6 -11.5 31.0 56 55 A G H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.853 100.3 59.4 -61.3 -37.2 3.8 -11.2 31.5 57 56 A V H X S+ 0 0 61 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.919 108.7 46.3 -56.3 -44.8 3.8 -14.1 34.1 58 57 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 -2,-0.2 0.929 112.4 48.7 -63.2 -47.5 6.2 -12.0 36.2 59 58 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.943 112.7 48.6 -57.2 -49.1 4.2 -8.8 35.9 60 59 A Q H X S+ 0 0 80 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.904 110.8 50.2 -61.6 -41.6 1.0 -10.5 36.7 61 60 A E H X S+ 0 0 57 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.910 110.9 48.7 -64.3 -40.6 2.4 -12.2 39.8 62 61 A K H <>S+ 0 0 13 -4,-2.4 5,-2.2 2,-0.2 6,-1.0 0.865 112.6 48.2 -70.8 -33.2 3.9 -8.9 41.1 63 62 A L H ><5S+ 0 0 37 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.933 113.4 48.0 -65.4 -44.8 0.5 -7.2 40.6 64 63 A R H 3<5S+ 0 0 146 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.914 111.2 49.7 -62.0 -42.7 -1.2 -10.1 42.3 65 64 A E T 3<5S- 0 0 92 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.547 110.9-126.0 -67.7 -14.3 1.3 -10.0 45.2 66 65 A Q T < 5 + 0 0 169 -3,-1.2 -3,-0.2 -4,-0.4 3,-0.1 0.807 69.6 134.7 62.7 34.6 0.7 -6.2 45.5 67 66 A V S > - 0 0 111 -2,-0.3 3,-1.7 -3,-0.1 4,-0.6 -0.762 31.0-115.0 -98.2 154.2 0.1 -1.3 41.3 70 69 A R G >4 S+ 0 0 32 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.872 115.5 58.8 -58.1 -37.9 -0.5 -1.3 37.5 71 70 A E G 34 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.728 101.9 56.0 -64.2 -21.7 -0.4 2.5 37.5 72 71 A E G <4 S+ 0 0 79 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.554 94.9 82.4 -84.6 -15.1 3.1 2.4 38.9 73 72 A L << - 0 0 2 -3,-1.5 2,-0.5 -4,-0.6 -31,-0.2 -0.696 60.9-158.9 -92.4 151.7 4.4 0.2 36.1 74 73 A F E -e 42 0B 7 -33,-2.0 -31,-1.6 -2,-0.3 2,-0.5 -0.923 15.7-172.7-130.2 97.9 5.5 1.4 32.7 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.6 -33,-0.2 32,-1.5 -0.873 0.4-169.6-105.3 127.0 5.4 -1.4 30.2 76 75 A V E +ef 44 107B 0 -33,-2.5 -31,-2.3 -2,-0.5 2,-0.3 -0.919 10.2 166.2-114.5 135.8 6.8 -0.9 26.7 77 76 A S E - f 0 108B 0 30,-2.0 32,-2.3 -2,-0.4 2,-0.4 -0.833 21.8-130.3-138.3-175.5 6.5 -3.1 23.6 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.998 14.6-121.6-145.2 138.9 7.1 -2.9 19.9 79 78 A L E - f 0 110B 0 30,-2.9 32,-2.0 -2,-0.4 33,-0.4 -0.690 38.4-128.6 -78.5 118.0 5.3 -3.6 16.6 80 79 A W > - 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0 0 17 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.798 57.9-150.6-115.7 152.6 -2.1 -6.4 30.3 103 102 A D S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.667 87.4 11.3 -94.9 -16.1 -5.2 -4.4 29.3 104 103 A Y - 0 0 33 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.973 67.8-131.2-147.8 158.0 -3.0 -1.5 28.0 105 104 A L B -k 154 0C 0 48,-2.0 50,-2.7 -2,-0.3 51,-0.4 -0.859 12.2-142.8-101.0 146.5 0.6 -0.7 27.2 106 105 A D S S+ 0 0 16 -31,-1.6 2,-0.3 -2,-0.4 -30,-0.2 0.842 89.7 8.3 -72.2 -31.1 2.2 2.4 28.6 107 106 A L E -f 76 0B 1 -32,-1.5 -30,-2.0 48,-0.2 2,-0.4 -0.968 62.4-168.0-153.6 132.9 4.2 2.8 25.3 108 107 A Y E -fg 77 157B 1 48,-1.8 50,-2.2 -2,-0.3 2,-0.4 -0.995 16.4-163.7-126.4 125.6 4.0 1.0 22.0 109 108 A L E -fg 78 158B 0 -32,-2.3 -30,-2.9 -2,-0.4 2,-0.7 -0.851 29.3-120.2-110.8 144.5 6.8 1.6 19.5 110 109 A I E -fg 79 159B 1 48,-2.2 50,-1.1 -2,-0.4 -30,-0.1 -0.723 34.2-147.3 -72.2 115.4 7.2 0.9 15.7 111 110 A H S S- 0 0 14 -32,-2.0 -1,-0.2 -2,-0.7 -31,-0.1 0.865 71.6 -2.9 -63.1 -41.6 10.2 -1.4 16.2 112 111 A W - 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