==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-09 3G5E . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.D.PODJARNY,M.C.VAN ZANDT . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13872.0 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 . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.9 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 . 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 2 1 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 0 A M 0 0 117 0, 0.0 2,-0.2 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 178.6 17.6 13.3 39.8 2 1 A A - 0 0 76 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.499 360.0-135.6 -70.0 146.5 13.9 12.4 39.5 3 2 A S S S+ 0 0 68 -2,-0.2 12,-2.8 11,-0.1 13,-0.4 0.561 84.6 51.2 -84.5 -10.9 13.3 8.7 38.8 4 3 A R E -A 14 0A 73 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.943 69.8-144.8-127.6 152.1 10.6 9.4 36.1 5 4 A I E -A 13 0A 39 8,-2.8 8,-2.9 -2,-0.3 2,-0.3 -0.916 25.2-116.5-116.5 139.6 10.6 11.6 32.9 6 5 A L E -A 12 0A 108 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.616 27.9-155.8 -81.4 130.6 7.4 13.3 31.7 7 6 A L > - 0 0 7 4,-2.8 3,-1.8 -2,-0.3 198,-0.1 -0.543 32.0-103.2 -96.4 170.4 6.1 12.3 28.2 8 7 A N T 3 S+ 0 0 79 1,-0.3 171,-0.1 196,-0.2 -2,-0.0 0.543 119.1 61.5 -78.8 -2.6 4.0 14.3 25.9 9 8 A N T 3 S- 0 0 67 2,-0.2 -1,-0.3 169,-0.0 3,-0.1 0.364 120.4-107.1 -93.9 2.3 0.8 12.5 26.9 10 9 A G S < S+ 0 0 55 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.478 80.4 126.0 86.0 2.6 1.3 13.7 30.5 11 10 A A - 0 0 23 144,-0.1 -4,-2.8 95,-0.1 2,-0.5 -0.616 58.4-125.9 -91.6 154.1 2.4 10.2 31.8 12 11 A K E -A 6 0A 127 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.890 19.5-157.1-104.4 129.3 5.6 9.7 33.7 13 12 A M E -A 5 0A 2 -8,-2.9 -8,-2.8 -2,-0.5 2,-0.1 -0.902 23.0-116.9-109.0 125.4 8.0 7.0 32.5 14 13 A P E -A 4 0A 10 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.386 18.3-140.1 -60.9 133.5 10.6 5.5 34.9 15 14 A I S S+ 0 0 11 -12,-2.8 245,-2.9 244,-0.1 2,-0.5 0.676 87.2 57.0 -75.0 -13.6 14.1 6.3 33.6 16 15 A L B +b 260 0B 4 -13,-0.4 25,-0.5 243,-0.2 26,-0.3 -0.963 68.2 164.7-116.1 127.5 15.4 2.8 34.4 17 16 A G - 0 0 0 243,-2.3 2,-0.5 -2,-0.5 26,-0.2 -0.892 36.6-107.1-132.3 171.8 13.8 -0.3 33.0 18 17 A L E -c 43 0B 2 24,-2.5 26,-2.8 -2,-0.3 245,-0.2 -0.898 28.3-141.3-102.0 124.5 14.5 -4.0 32.5 19 18 A G E -cd 44 263B 6 243,-2.1 245,-0.6 -2,-0.5 26,-0.1 -0.482 14.9-174.2 -76.1 149.4 15.4 -5.3 29.0 20 19 A T > + 0 0 0 24,-0.6 3,-1.7 -2,-0.2 2,-0.3 0.362 37.7 124.4-129.7 4.5 14.1 -8.7 27.9 21 20 A W T 3 S+ 0 0 70 1,-0.3 -2,-0.1 23,-0.1 28,-0.1 -0.560 88.6 7.9 -69.9 128.7 15.7 -9.4 24.5 22 21 A K T 3 S+ 0 0 48 -2,-0.3 -1,-0.3 1,-0.3 28,-0.0 0.450 90.1 139.0 78.7 5.2 17.5 -12.8 24.6 23 22 A S < - 0 0 4 -3,-1.7 -1,-0.3 241,-0.1 5,-0.1 -0.733 57.9-122.6 -81.9 114.0 16.1 -13.5 28.1 24 23 A P >> - 0 0 51 0, 0.0 4,-2.3 0, 0.0 3,-2.2 -0.277 12.3-121.8 -61.0 144.7 15.2 -17.2 27.9 25 24 A P H 3> S+ 0 0 61 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.815 112.3 56.7 -56.6 -32.4 11.6 -18.1 28.6 26 25 A G H 34 S+ 0 0 80 1,-0.2 4,-0.1 2,-0.1 25,-0.0 0.529 118.9 29.7 -76.7 -6.8 12.7 -20.4 31.4 27 26 A Q H <> S+ 0 0 100 -3,-2.2 4,-2.1 2,-0.1 -1,-0.2 0.558 100.3 77.8-123.6 -21.0 14.5 -17.6 33.2 28 27 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.825 88.8 58.9 -67.4 -29.9 12.7 -14.4 32.3 29 28 A T H X S+ 0 0 27 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.971 110.8 41.8 -65.4 -49.6 9.8 -15.0 34.8 30 29 A E H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.905 112.3 56.2 -60.2 -41.0 12.2 -15.1 37.8 31 30 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.924 110.3 43.7 -58.5 -46.1 14.1 -12.1 36.3 32 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.893 112.2 53.1 -69.9 -40.1 11.0 -9.9 36.2 33 32 A K H X S+ 0 0 60 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.938 112.6 43.9 -56.3 -49.0 9.8 -11.1 39.7 34 33 A V H X S+ 0 0 34 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.913 111.8 54.2 -63.6 -44.3 13.2 -10.2 41.3 35 34 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.3 4,-1.0 0.932 109.2 47.2 -56.0 -47.6 13.3 -6.9 39.3 36 35 A I H ><5S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.924 110.0 54.7 -63.6 -40.9 9.9 -5.8 40.6 37 36 A D H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 110.2 45.1 -59.4 -37.0 11.0 -6.8 44.2 38 37 A V H 3<5S- 0 0 60 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.535 131.6 -84.7 -92.1 -4.7 14.0 -4.6 44.1 39 38 A G T <<5S+ 0 0 20 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.352 74.1 142.5 130.7 -3.6 12.3 -1.6 42.6 40 39 A Y < + 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 -23,-0.1 -0.418 14.3 171.5 -66.7 141.4 12.0 -1.7 38.8 41 40 A R + 0 0 62 -25,-0.5 33,-2.9 1,-0.1 2,-0.4 0.324 57.3 69.6-129.0 5.2 8.7 -0.4 37.5 42 41 A H E - e 0 74B 0 -26,-0.3 -24,-2.5 31,-0.2 2,-0.4 -0.992 55.8-174.4-132.4 124.3 9.4 -0.4 33.7 43 42 A I E -ce 18 75B 0 31,-1.8 33,-2.3 -2,-0.4 2,-0.6 -0.993 14.7-147.8-121.9 129.4 9.8 -3.5 31.5 44 43 A D E +ce 19 76B 4 -26,-2.8 -24,-0.6 -2,-0.4 2,-0.2 -0.879 31.2 164.5 -98.5 120.6 10.8 -3.4 27.9 45 44 A C - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.729 18.9-171.1-127.0 169.6 9.2 -6.2 25.8 46 45 A A > > - 0 0 0 -2,-0.2 3,-1.3 31,-0.2 5,-0.5 -0.909 32.7-127.4-160.3 149.3 8.5 -7.2 22.2 47 46 A H G > 5S+ 0 0 40 31,-0.9 3,-1.7 -2,-0.3 5,-0.2 0.881 110.5 60.8 -57.4 -40.7 6.5 -9.9 20.4 48 47 A V G 3 5S+ 0 0 25 1,-0.3 -1,-0.3 30,-0.2 74,-0.1 0.648 89.3 70.4 -65.6 -17.1 9.7 -10.9 18.4 49 48 A Y G < 5S- 0 0 38 -3,-1.3 -1,-0.3 -28,-0.1 -27,-0.2 0.624 95.0-142.2 -76.0 -13.0 11.5 -11.7 21.7 50 49 A Q T < 5S+ 0 0 142 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.735 78.5 87.2 62.0 27.5 9.3 -14.8 22.0 51 50 A N >< + 0 0 0 -5,-0.5 4,-1.9 2,-0.1 5,-0.2 0.188 42.0 111.8-138.5 17.8 9.0 -14.5 25.8 52 51 A E H > S+ 0 0 3 -5,-0.2 4,-2.6 1,-0.2 5,-0.1 0.860 76.8 58.3 -67.1 -31.7 6.0 -12.2 26.4 53 52 A N H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 109.8 43.9 -58.4 -46.2 3.8 -14.9 27.9 54 53 A E H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.825 111.0 53.1 -72.5 -34.6 6.5 -15.6 30.6 55 54 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.933 108.4 53.0 -59.9 -45.1 7.0 -11.9 31.3 56 55 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.866 101.9 58.0 -58.1 -38.4 3.2 -11.7 31.7 57 56 A V H X S+ 0 0 54 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.918 108.1 47.4 -59.4 -42.7 3.3 -14.6 34.3 58 57 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.927 111.7 48.9 -63.7 -47.6 5.8 -12.6 36.4 59 58 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.940 111.9 49.3 -58.5 -48.6 3.7 -9.3 36.2 60 59 A Q H X S+ 0 0 76 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.879 108.9 52.6 -60.5 -39.4 0.5 -11.2 37.2 61 60 A E H X S+ 0 0 71 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.900 111.0 46.4 -63.6 -40.1 2.1 -12.9 40.2 62 61 A K H <>S+ 0 0 14 -4,-2.1 5,-2.3 2,-0.2 6,-1.1 0.811 112.4 50.2 -75.5 -30.0 3.4 -9.6 41.6 63 62 A L H ><5S+ 0 0 37 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.953 113.2 46.4 -65.8 -48.6 0.0 -7.9 41.0 64 63 A R H 3<5S+ 0 0 191 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.858 110.6 52.2 -62.3 -37.2 -1.7 -10.8 42.8 65 64 A E T 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.568 111.0-125.8 -73.0 -9.4 0.8 -10.7 45.7 66 65 A Q T < 5S+ 0 0 177 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.811 72.0 130.2 60.5 37.5 0.1 -6.9 46.0 67 66 A V S - 0 0 107 -2,-0.3 3,-1.4 -3,-0.1 4,-0.5 -0.809 32.0-113.8-104.2 155.1 -0.5 -2.0 41.5 70 69 A R G > S+ 0 0 28 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.865 114.7 60.9 -53.9 -42.7 -0.9 -1.8 37.7 71 70 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.747 100.4 56.2 -58.3 -24.0 -0.9 2.0 37.7 72 71 A E G < S+ 0 0 72 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.609 95.0 82.5 -86.3 -14.9 2.7 1.9 39.1 73 72 A L < - 0 0 1 -3,-1.5 2,-0.5 -4,-0.5 -31,-0.2 -0.609 61.8-156.6 -94.0 149.3 4.1 -0.2 36.3 74 73 A F E -e 42 0B 5 -33,-2.9 -31,-1.8 -2,-0.2 2,-0.5 -0.930 16.4-172.0-126.7 106.4 5.2 1.0 32.9 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.6 -33,-0.2 32,-1.5 -0.882 1.1-171.0-112.2 128.9 5.0 -1.7 30.3 76 75 A V E +ef 44 107B 0 -33,-2.3 -31,-2.4 -2,-0.5 2,-0.3 -0.933 9.7 165.8-119.6 133.8 6.4 -1.3 26.8 77 76 A S E - f 0 108B 0 30,-1.8 32,-2.0 -2,-0.4 2,-0.3 -0.825 21.6-132.4-136.1-175.8 6.1 -3.5 23.7 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-0.9 30,-0.2 2,-0.5 -0.988 14.6-120.2-145.8 141.4 6.7 -3.1 20.0 79 78 A L E - f 0 110B 0 30,-3.0 32,-2.0 -2,-0.3 33,-0.4 -0.748 38.0-128.6 -82.9 122.2 5.0 -3.8 16.7 80 79 A W > - 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0 0 18 -5,-2.2 -1,-0.2 -6,-0.1 3,-0.1 -0.830 59.9-143.8-121.7 159.2 -2.8 -6.8 30.4 103 102 A D S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.411 86.4 13.0-104.1 1.2 -5.8 -4.7 29.3 104 103 A Y - 0 0 47 -7,-0.1 2,-0.3 3,-0.0 50,-0.2 -0.952 66.9-131.9-161.9 156.3 -3.6 -1.8 28.1 105 104 A L B -k 154 0C 0 48,-2.1 50,-2.4 -2,-0.3 51,-0.3 -0.861 11.6-143.5-103.8 147.7 0.1 -1.0 27.3 106 105 A D S S+ 0 0 13 -31,-1.6 2,-0.3 -2,-0.3 -30,-0.2 0.858 88.5 7.0 -75.2 -34.3 1.7 2.2 28.6 107 106 A L E -f 76 0B 1 -32,-1.5 -30,-1.8 48,-0.2 2,-0.4 -0.984 61.7-169.3-148.2 136.4 3.8 2.6 25.4 108 107 A Y E -fg 77 157B 1 48,-1.7 50,-2.0 -2,-0.3 2,-0.3 -0.997 15.9-163.5-129.7 128.9 3.7 0.8 22.1 109 108 A L E -fg 78 158B 0 -32,-2.0 -30,-3.0 -2,-0.4 2,-0.7 -0.823 29.9-117.0-112.8 147.7 6.5 1.4 19.6 110 109 A I E -fg 79 159B 2 48,-2.0 50,-0.9 -2,-0.3 -30,-0.1 -0.766 35.6-146.9 -74.7 117.5 7.0 0.8 15.9 111 110 A H S S- 0 0 11 -32,-2.0 -1,-0.2 -2,-0.7 -31,-0.1 0.888 70.9 -4.8 -63.3 -44.4 9.9 -1.7 16.3 112 111 A W - 0 0 47 -33,-0.4 -1,-0.2 2,-0.2 49,-0.1 -0.969 67.2-121.0-143.7 154.9 11.8 -0.7 13.1 113 112 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 197,-0.1 0.730 87.3 93.9 -70.6 -18.4 10.9 1.6 10.2 114 113 A T - 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