==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-NOV-97 1AZ2 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.H.HARRISON,K.M.BOHREN,D.RINGE,G.A.PETSKO,K.H.GABBAY . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.5 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 . 36 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 25.2 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 1 1 3 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 1 2 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 1 0 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 2 A S 0 0 120 0, 0.0 12,-2.4 0, 0.0 13,-0.5 0.000 360.0 360.0 360.0 -56.4 14.3 42.5 83.0 2 3 A R E -A 12 0A 83 10,-0.3 2,-0.5 11,-0.1 8,-0.1 -0.962 360.0-143.3-124.4 133.2 11.2 42.6 80.7 3 4 A L E -A 11 0A 36 8,-2.5 8,-2.2 -2,-0.4 2,-0.2 -0.938 22.0-116.0 -91.1 134.2 11.3 44.8 77.5 4 5 A L E -A 10 0A 104 -2,-0.5 2,-0.3 6,-0.2 6,-0.2 -0.434 30.5-149.9 -69.8 128.8 8.2 46.6 76.5 5 6 A L > - 0 0 1 4,-2.4 3,-2.3 -2,-0.2 198,-0.1 -0.687 28.9-105.7 -95.0 157.2 6.9 45.4 73.1 6 7 A N T 3 S+ 0 0 67 196,-0.3 171,-0.1 1,-0.3 -2,-0.1 0.401 119.6 60.8 -67.1 9.7 5.0 47.5 70.6 7 8 A N T 3 S- 0 0 64 2,-0.3 -1,-0.3 172,-0.1 3,-0.1 0.177 120.2-106.1-112.0 11.1 1.8 45.6 71.6 8 9 A G S < S+ 0 0 55 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.317 83.5 121.3 80.6 -5.9 2.0 46.8 75.2 9 10 A A - 0 0 35 144,-0.1 -4,-2.4 95,-0.1 2,-0.3 -0.650 59.9-127.9 -89.6 143.7 3.1 43.4 76.5 10 11 A K E -A 4 0A 117 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.0 -0.752 17.8-153.1 -99.3 141.7 6.4 43.0 78.4 11 12 A M E -A 3 0A 1 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.2 -0.926 23.5-112.4-122.0 121.4 8.9 40.4 77.3 12 13 A P E -A 2 0A 10 0, 0.0 -10,-0.3 0, 0.0 246,-0.1 -0.385 17.9-144.0 -64.3 121.2 11.5 38.8 79.6 13 14 A I S S+ 0 0 15 -12,-2.4 245,-2.5 -2,-0.2 2,-0.4 0.676 87.7 55.4 -56.6 -13.9 14.9 39.9 78.4 14 15 A L B +b 258 0B 8 -13,-0.5 25,-0.5 243,-0.2 2,-0.3 -0.970 68.1 154.9-125.5 128.5 16.1 36.4 79.4 15 16 A G - 0 0 0 243,-3.0 2,-0.5 -2,-0.4 26,-0.2 -0.869 37.6-104.1-146.8 170.9 14.7 33.0 78.1 16 17 A L E -c 41 0B 0 24,-2.4 26,-2.4 -2,-0.3 245,-0.2 -0.839 25.2-144.5-108.2 118.2 15.5 29.3 77.4 17 18 A G E -c 42 0B 5 -2,-0.5 245,-0.8 243,-0.3 26,-0.1 -0.541 11.0-171.9 -75.8 147.9 16.1 27.8 74.0 18 19 A T > + 0 0 0 24,-1.0 3,-2.2 -2,-0.2 2,-0.3 0.391 42.9 121.9-121.6 -2.3 14.9 24.3 73.1 19 20 A W T 3 S+ 0 0 79 1,-0.3 28,-0.1 23,-0.2 29,-0.1 -0.551 90.5 12.9 -61.7 129.3 16.6 23.7 69.7 20 21 A K T 3 S+ 0 0 48 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.410 96.4 134.1 77.1 12.2 18.7 20.6 70.1 21 22 A S < - 0 0 6 -3,-2.2 -1,-0.3 26,-0.1 5,-0.1 -0.754 56.9-126.6 -97.4 112.0 16.9 19.9 73.4 22 23 A P >> - 0 0 49 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.344 10.3-124.1 -64.1 147.8 16.0 16.2 73.6 23 24 A P H 3> S+ 0 0 65 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.810 111.8 54.5 -60.5 -34.3 12.3 15.2 74.3 24 25 A G H 34 S+ 0 0 71 1,-0.2 4,-0.5 2,-0.1 3,-0.2 0.901 120.6 28.9 -64.5 -35.7 13.5 13.1 77.2 25 26 A Q H <> S+ 0 0 107 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.417 105.7 73.1-108.2 -6.2 15.4 15.9 78.9 26 27 A V H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.516 91.9 56.3 -95.7 -12.4 13.4 19.0 77.7 27 28 A T H X S+ 0 0 25 -4,-0.6 4,-1.7 -5,-0.2 3,-0.3 0.934 115.7 37.4 -69.2 -59.6 10.3 18.4 80.0 28 29 A E H > S+ 0 0 118 -4,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.747 111.8 60.9 -66.6 -28.2 12.5 18.4 83.0 29 30 A A H X S+ 0 0 4 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.966 107.3 44.3 -55.2 -52.4 14.8 21.2 81.7 30 31 A V H X S+ 0 0 0 -4,-0.9 4,-2.9 -3,-0.3 5,-0.2 0.913 111.0 53.3 -65.7 -42.9 11.8 23.6 81.5 31 32 A K H X S+ 0 0 23 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.918 112.9 43.3 -59.3 -49.6 10.4 22.7 84.9 32 33 A V H X S+ 0 0 34 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.856 112.7 53.4 -61.8 -38.4 13.8 23.4 86.5 33 34 A A H X>S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-1.7 0.993 110.6 46.4 -62.7 -54.1 14.3 26.6 84.5 34 35 A I H <5S+ 0 0 0 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.814 113.2 49.6 -52.1 -43.4 10.9 27.9 85.6 35 36 A D H <5S+ 0 0 86 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.972 108.1 53.1 -62.8 -46.7 11.8 26.9 89.2 36 37 A V H <5S- 0 0 56 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.869 134.6 -92.4 -61.5 -38.0 15.1 28.7 88.9 37 38 A G T <5S+ 0 0 22 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.496 74.4 146.3 142.7 17.8 13.1 31.7 87.7 38 39 A Y < + 0 0 2 -5,-1.7 -1,-0.2 -8,-0.2 -23,-0.1 -0.653 16.6 174.5 -75.5 137.1 12.8 31.6 83.9 39 40 A R + 0 0 59 -25,-0.5 33,-1.2 -2,-0.3 2,-0.4 0.178 59.0 71.9-128.2 24.9 9.6 33.0 82.5 40 41 A H E - d 0 72B 1 -26,-0.2 -24,-2.4 31,-0.2 2,-0.5 -0.996 55.1-173.5-146.5 114.2 10.4 32.9 78.8 41 42 A I E -cd 16 73B 0 31,-1.5 33,-2.4 -2,-0.4 2,-0.7 -0.985 14.8-147.9-118.3 120.4 10.6 29.7 76.7 42 43 A D E +cd 17 74B 4 -26,-2.4 -24,-1.0 -2,-0.5 2,-0.2 -0.813 29.3 172.2 -82.8 113.4 11.8 29.7 73.1 43 44 A C - 0 0 0 31,-2.7 2,-0.3 -2,-0.7 -24,-0.1 -0.672 16.3-178.8-121.1 158.7 10.0 27.0 71.1 44 45 A A > - 0 0 0 -2,-0.2 5,-0.5 31,-0.2 3,-0.3 -0.948 29.7-134.1-150.4 155.6 9.7 25.9 67.5 45 46 A H T > 5S+ 0 0 41 31,-1.0 3,-2.6 -2,-0.3 5,-0.2 0.943 107.1 57.9 -73.1 -49.6 7.8 23.1 65.8 46 47 A V T 3 5S+ 0 0 27 1,-0.3 -1,-0.2 30,-0.3 74,-0.1 0.553 93.1 71.9 -56.6 -11.0 10.8 22.0 63.6 47 48 A Y T 3 5S- 0 0 39 -3,-0.3 -1,-0.3 -28,-0.1 -27,-0.2 0.474 96.0-144.5 -81.4 -17.1 12.6 21.5 67.0 48 49 A Q T < 5S+ 0 0 138 -3,-2.6 -3,-0.1 1,-0.1 -2,-0.1 0.518 73.0 84.2 62.9 27.7 10.4 18.4 67.5 49 50 A N >< + 0 0 2 -5,-0.5 4,-2.7 2,-0.1 3,-0.5 0.356 41.9 115.7-136.4 6.0 9.9 18.6 71.3 50 51 A E H > S+ 0 0 4 -6,-0.3 4,-1.0 1,-0.2 5,-0.1 0.750 77.1 56.3 -57.8 -33.5 7.0 21.0 72.0 51 52 A N H > S+ 0 0 68 2,-0.2 4,-1.1 1,-0.2 3,-0.5 0.967 113.8 39.5 -56.7 -51.9 4.8 18.3 73.5 52 53 A E H > S+ 0 0 58 -3,-0.5 4,-1.0 1,-0.3 3,-0.2 0.860 115.5 53.0 -71.4 -31.0 7.5 17.4 76.1 53 54 A V H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -1,-0.3 0.694 110.7 49.2 -74.7 -18.5 8.2 21.1 76.5 54 55 A G H X S+ 0 0 0 -4,-1.0 4,-1.1 -3,-0.5 -2,-0.2 0.569 100.2 61.0 -97.9 -14.9 4.5 21.6 77.1 55 56 A V H X S+ 0 0 52 -4,-1.1 4,-1.0 -3,-0.2 -2,-0.2 0.771 103.0 56.4 -70.1 -33.0 4.3 18.9 79.7 56 57 A A H X S+ 0 0 0 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.882 106.6 46.3 -63.4 -39.2 6.8 21.0 81.6 57 58 A I H X S+ 0 0 0 -4,-0.5 4,-1.2 1,-0.2 -2,-0.2 0.820 108.2 56.5 -81.0 -27.0 4.5 24.1 81.6 58 59 A Q H X S+ 0 0 69 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.756 104.9 51.9 -75.3 -26.1 1.4 22.2 82.7 59 60 A E H X S+ 0 0 69 -4,-1.0 4,-2.7 2,-0.2 6,-0.2 0.906 110.1 47.3 -73.7 -39.3 3.1 20.9 85.8 60 61 A K H <>S+ 0 0 1 -4,-1.2 6,-1.2 2,-0.2 5,-1.1 0.785 115.2 48.1 -73.0 -23.7 4.3 24.4 86.9 61 62 A L H <5S+ 0 0 37 -4,-1.2 3,-0.3 2,-0.2 -1,-0.2 0.858 113.5 45.0 -83.5 -42.2 0.7 25.6 86.2 62 63 A R H <5S+ 0 0 210 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.941 113.2 53.2 -55.6 -42.9 -0.9 22.7 88.1 63 64 A E T <5S- 0 0 119 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.505 108.3-127.3 -78.8 -12.9 1.7 23.4 90.9 64 65 A Q T 5S+ 0 0 166 -3,-0.3 -3,-0.2 -4,-0.3 -4,-0.1 0.498 71.9 127.7 76.6 10.5 0.8 27.0 91.1 65 66 A V S > - 0 0 118 -2,-0.3 3,-1.3 1,-0.0 4,-1.0 -0.710 38.5-107.3 -94.1 160.2 0.3 31.8 86.4 68 69 A R T 34 S+ 0 0 29 -2,-0.3 3,-0.3 1,-0.2 -1,-0.0 0.848 118.9 54.3 -59.9 -28.6 0.0 31.7 82.6 69 70 A E T 34 S+ 0 0 119 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.464 96.8 64.2 -90.7 -10.5 0.5 35.5 82.3 70 71 A E T <4 S+ 0 0 63 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.824 98.5 72.2 -71.8 -33.6 3.7 35.4 84.2 71 72 A L < - 0 0 0 -4,-1.0 2,-0.3 -3,-0.3 -31,-0.2 -0.150 65.9-155.6 -78.0 166.1 5.1 33.3 81.4 72 73 A F E -d 40 0B 3 -33,-1.2 -31,-1.5 -61,-0.0 2,-0.4 -0.790 16.3-169.6-144.6 90.9 6.1 34.4 77.9 73 74 A I E -d 41 0B 0 -2,-0.3 31,-1.7 -33,-0.2 32,-1.2 -0.769 3.9-165.2 -92.2 131.4 6.0 31.4 75.5 74 75 A V E +de 42 105B 1 -33,-2.4 -31,-2.7 -2,-0.4 2,-0.3 -0.938 11.3 168.7-120.7 141.0 7.4 31.9 72.0 75 76 A S E - e 0 106B 0 30,-1.9 32,-2.9 -2,-0.4 2,-0.3 -0.920 18.6-139.4-148.5 170.2 7.1 29.8 68.9 76 77 A K E - e 0 107B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -1.000 17.1-123.3-142.3 139.5 7.8 29.9 65.1 77 78 A L E - e 0 108B 0 30,-2.5 32,-1.4 -2,-0.3 33,-0.6 -0.647 33.5-131.8 -87.5 116.9 6.0 28.9 61.9 78 79 A W > - 0 0 10 -2,-0.5 3,-1.7 31,-0.1 -1,-0.1 -0.245 23.6-103.0 -76.0 163.7 8.1 26.5 59.8 79 80 A C T 3 S+ 0 0 0 1,-0.3 35,-2.6 41,-0.1 3,-0.4 0.527 111.9 63.9 -70.5 -8.7 8.7 27.0 56.0 80 81 A T T 3 S+ 0 0 0 1,-0.2 -1,-0.3 33,-0.2 3,-0.2 0.420 97.2 58.2 -97.1 1.3 6.3 24.4 54.7 81 82 A Y < + 0 0 54 -3,-1.7 -1,-0.2 1,-0.1 9,-0.1 -0.331 66.3 119.7-121.7 43.1 3.2 26.2 56.1 82 83 A H + 0 0 3 -3,-0.4 2,-0.2 32,-0.4 60,-0.1 0.715 46.5 95.5 -95.0 -14.1 3.6 29.5 54.3 83 84 A E S >> S- 0 0 49 -3,-0.2 3,-1.9 1,-0.1 4,-1.7 -0.471 86.5-114.1 -79.6 143.1 0.3 29.4 52.5 84 85 A K H 3> S+ 0 0 123 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.798 115.7 51.4 -49.4 -32.3 -2.6 31.3 53.9 85 86 A G H 3> S+ 0 0 67 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.797 110.8 46.5 -76.3 -29.0 -4.5 28.0 54.5 86 87 A L H <> S+ 0 0 64 -3,-1.9 4,-1.1 1,-0.1 -2,-0.2 0.849 94.6 75.7 -84.3 -31.8 -1.7 26.2 56.3 87 88 A V H >X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 3,-0.6 0.821 95.5 45.8 -51.3 -49.8 -0.7 29.0 58.8 88 89 A K H 3X S+ 0 0 80 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.930 112.1 52.8 -66.4 -38.3 -3.7 28.7 61.2 89 90 A G H 3X S+ 0 0 41 -4,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.697 108.1 50.1 -63.6 -26.6 -3.3 25.0 61.3 90 91 A A H S+ 0 0 12 -4,-2.7 5,-1.5 1,-0.2 4,-0.3 0.739 110.6 42.5 -66.2 -22.2 -0.8 25.3 70.5 96 97 A S H <5S+ 0 0 62 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.717 111.6 51.3 -96.4 -28.8 -1.9 21.8 71.3 97 98 A D H <5S+ 0 0 35 -4,-1.7 -43,-0.2 -3,-0.3 -2,-0.2 0.938 117.9 39.8 -65.6 -50.3 1.6 20.2 71.8 98 99 A L T <5S- 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.707 107.7-137.1 -66.4 -30.0 2.5 23.0 74.2 99 100 A K T 5 + 0 0 65 -5,-0.3 2,-0.3 -4,-0.3 -3,-0.2 0.842 56.8 129.4 76.0 34.6 -1.0 22.8 75.6 100 101 A L < - 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