==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-05 1Z3N . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.VAN ZANDT,M.L.JONES,D.E.GUNN,L.S.GERACI,J.H.JONES, . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 62.0 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 . 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 . 10 3.2 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 . 85 26.9 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 1 2 0 1 2 1 0 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 0 A M 0 0 118 0, 0.0 254,-0.0 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 115.3 17.8 13.3 39.9 2 1 A A - 0 0 78 1,-0.1 13,-0.1 2,-0.1 3,-0.0 -0.307 360.0-135.8 -60.5 144.0 14.1 12.4 39.6 3 2 A S S S+ 0 0 69 11,-0.1 12,-2.4 12,-0.1 13,-0.4 0.585 83.8 49.8 -85.5 -10.9 13.3 8.8 38.8 4 3 A R E -A 14 0A 80 10,-0.3 2,-0.4 11,-0.1 -1,-0.1 -0.985 67.5-147.6-130.5 144.0 10.6 9.5 36.2 5 4 A I E -A 13 0A 39 8,-2.6 8,-2.9 -2,-0.3 2,-0.4 -0.863 25.9-115.8-111.3 139.0 10.6 11.7 33.0 6 5 A L E -A 12 0A 107 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.617 27.9-153.5 -79.4 129.2 7.5 13.4 31.7 7 6 A L > - 0 0 7 4,-3.1 3,-1.9 -2,-0.4 198,-0.1 -0.503 31.8-101.8 -94.0 169.7 6.2 12.3 28.3 8 7 A N T 3 S+ 0 0 82 1,-0.3 -1,-0.1 196,-0.2 171,-0.1 0.680 120.2 60.5 -64.9 -20.7 4.1 14.4 25.8 9 8 A N T 3 S- 0 0 57 2,-0.2 -1,-0.3 169,-0.0 3,-0.1 0.377 120.4-106.7 -90.1 5.0 0.9 12.6 26.9 10 9 A G S < S+ 0 0 53 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.386 80.7 126.5 84.7 -2.6 1.3 13.8 30.5 11 10 A A - 0 0 25 144,-0.1 -4,-3.1 95,-0.1 2,-0.5 -0.523 58.3-126.6 -83.4 155.3 2.4 10.3 31.8 12 11 A K E -A 6 0A 128 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.889 19.7-157.7-105.3 127.7 5.6 9.8 33.7 13 12 A M E -A 5 0A 2 -8,-2.9 -8,-2.6 -2,-0.5 2,-0.1 -0.889 22.6-116.9-108.3 124.8 8.1 7.1 32.5 14 13 A P E -A 4 0A 9 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.402 18.2-140.8 -59.4 135.1 10.7 5.5 34.8 15 14 A I S S+ 0 0 10 -12,-2.4 245,-2.8 244,-0.1 2,-0.4 0.659 86.7 54.9 -76.5 -15.9 14.2 6.4 33.6 16 15 A L B +b 260 0B 4 -13,-0.4 26,-0.6 243,-0.2 25,-0.5 -0.971 68.7 164.8-117.3 129.7 15.5 2.9 34.4 17 16 A G E -c 42 0B 0 243,-2.2 2,-0.6 -2,-0.4 26,-0.2 -0.901 36.6-107.4-134.5 171.1 13.9 -0.2 33.0 18 17 A L E -c 43 0B 2 24,-2.3 26,-2.7 -2,-0.3 245,-0.2 -0.883 28.6-143.3-101.4 124.7 14.6 -3.9 32.5 19 18 A G E -cd 44 263B 6 243,-2.1 245,-0.6 -2,-0.6 26,-0.1 -0.517 12.9-171.8 -80.7 154.4 15.4 -5.2 29.0 20 19 A T > + 0 0 0 24,-0.7 3,-1.4 -2,-0.2 2,-0.3 0.326 37.9 126.2-131.1 4.2 14.2 -8.7 28.0 21 20 A W T 3 S+ 0 0 68 1,-0.3 -2,-0.1 23,-0.1 28,-0.1 -0.573 88.7 7.3 -68.2 129.3 15.8 -9.4 24.5 22 21 A K T 3 S+ 0 0 50 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.351 90.2 138.3 79.9 1.3 17.6 -12.8 24.7 23 22 A S < - 0 0 5 -3,-1.4 -1,-0.3 1,-0.1 5,-0.1 -0.644 59.0-121.4 -76.1 116.3 16.2 -13.5 28.2 24 23 A P >> - 0 0 45 0, 0.0 3,-1.9 0, 0.0 4,-1.9 -0.261 11.9-121.1 -65.2 149.6 15.3 -17.2 28.0 25 24 A P H 3> S+ 0 0 66 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.842 112.9 55.1 -58.9 -33.9 11.7 -18.1 28.6 26 25 A G H 34 S+ 0 0 78 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.581 119.2 31.9 -75.6 -9.7 12.8 -20.4 31.5 27 26 A Q H <> S+ 0 0 99 -3,-1.9 4,-1.7 2,-0.1 -1,-0.2 0.450 99.7 76.4-120.8 -15.5 14.6 -17.6 33.3 28 27 A V H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.817 88.4 59.4 -77.1 -28.8 12.8 -14.4 32.4 29 28 A T H X S+ 0 0 24 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.960 110.9 41.7 -62.3 -49.9 9.9 -14.9 34.9 30 29 A E H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.896 112.3 55.8 -61.4 -39.4 12.2 -15.0 37.8 31 30 A A H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.927 110.5 44.1 -59.7 -45.9 14.2 -12.1 36.4 32 31 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.889 112.4 52.4 -68.2 -39.8 11.1 -9.8 36.2 33 32 A K H X S+ 0 0 51 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.940 112.9 44.5 -61.1 -46.5 9.9 -10.9 39.7 34 33 A V H X S+ 0 0 41 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.928 111.7 53.7 -62.4 -43.0 13.3 -10.1 41.3 35 34 A A H X>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.3 4,-0.9 0.938 109.7 46.9 -57.9 -47.2 13.4 -6.8 39.4 36 35 A I H ><5S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.924 110.4 54.0 -62.1 -41.7 10.0 -5.7 40.7 37 36 A D H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 110.2 46.3 -60.2 -35.0 11.0 -6.7 44.2 38 37 A V H 3<5S- 0 0 59 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.519 131.9 -84.9 -92.2 -2.2 14.2 -4.5 44.1 39 38 A G T <<5S+ 0 0 21 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.347 74.8 142.8 126.5 -6.6 12.4 -1.5 42.7 40 39 A Y < + 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -23,-0.1 -0.423 13.8 170.4 -65.7 143.2 12.1 -1.7 38.9 41 40 A R + 0 0 63 -25,-0.5 33,-3.0 1,-0.1 2,-0.4 0.552 57.6 68.9-129.0 -2.2 8.8 -0.3 37.5 42 41 A H E -ce 17 74B 0 -26,-0.6 -24,-2.3 31,-0.2 2,-0.4 -0.865 56.2-175.0-127.5 127.4 9.5 -0.3 33.7 43 42 A I E -ce 18 75B 0 31,-1.8 33,-2.3 -2,-0.4 2,-0.6 -0.996 15.3-146.8-125.7 130.4 9.9 -3.4 31.6 44 43 A D E +ce 19 76B 4 -26,-2.7 -24,-0.7 -2,-0.4 2,-0.2 -0.892 30.9 165.6-100.8 120.7 10.9 -3.3 27.9 45 44 A C - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.699 17.7-172.5-124.8 171.3 9.3 -6.1 25.9 46 45 A A > - 0 0 0 -2,-0.2 3,-1.4 31,-0.2 5,-0.5 -0.904 32.6-127.5-164.3 148.3 8.6 -7.1 22.3 47 46 A H G > S+ 0 0 38 31,-1.0 3,-1.8 -2,-0.3 5,-0.2 0.887 109.5 61.0 -58.6 -38.6 6.7 -9.8 20.4 48 47 A V G 3 S+ 0 0 25 1,-0.3 -1,-0.3 30,-0.2 74,-0.1 0.668 89.2 70.9 -66.6 -15.8 9.8 -10.8 18.4 49 48 A Y G < S- 0 0 38 -3,-1.4 -1,-0.3 1,-0.1 -27,-0.2 0.640 94.9-142.0 -77.3 -11.1 11.6 -11.7 21.7 50 49 A Q S < S+ 0 0 144 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.742 78.4 87.7 64.1 27.9 9.4 -14.8 22.0 51 50 A N > + 0 0 1 -5,-0.5 4,-2.1 2,-0.1 5,-0.2 0.221 41.6 112.4-139.6 14.8 9.0 -14.5 25.8 52 51 A E H > S+ 0 0 3 -6,-0.2 4,-2.6 1,-0.2 5,-0.2 0.854 77.1 57.4 -64.9 -34.7 6.1 -12.1 26.4 53 52 A N H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.945 109.8 45.0 -58.3 -42.7 3.9 -14.9 27.9 54 53 A E H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.852 111.3 51.9 -72.7 -35.6 6.6 -15.6 30.6 55 54 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.934 108.8 53.3 -59.8 -44.6 7.1 -11.8 31.3 56 55 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.866 101.6 57.7 -60.2 -39.4 3.3 -11.7 31.8 57 56 A V H X S+ 0 0 70 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.926 108.3 47.7 -57.2 -43.4 3.4 -14.5 34.3 58 57 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.915 111.0 49.9 -63.8 -47.0 5.8 -12.5 36.5 59 58 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.935 112.2 47.2 -59.9 -46.0 3.8 -9.3 36.2 60 59 A Q H X S+ 0 0 104 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.892 109.1 55.1 -64.7 -36.4 0.6 -11.0 37.2 61 60 A E H X S+ 0 0 32 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.882 111.2 44.2 -61.8 -37.4 2.3 -12.8 40.1 62 61 A K H <>S+ 0 0 10 -4,-1.8 5,-2.1 2,-0.2 6,-1.0 0.832 112.3 51.3 -81.4 -29.2 3.5 -9.5 41.6 63 62 A L H ><5S+ 0 0 54 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.936 113.1 47.1 -67.0 -39.3 0.1 -7.8 41.0 64 63 A R H 3<5S+ 0 0 194 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.887 109.0 53.1 -69.8 -38.1 -1.6 -10.7 42.8 65 64 A E T 3<5S- 0 0 107 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.591 110.9-125.1 -69.2 -8.1 1.0 -10.6 45.7 66 65 A Q T < 5S+ 0 0 173 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.836 72.1 131.7 61.0 32.2 0.1 -6.8 46.0 67 66 A V S > - 0 0 36 -2,-0.3 3,-1.7 -3,-0.1 4,-0.6 -0.786 31.5-113.4-101.3 156.0 -0.4 -1.9 41.5 70 69 A R G >4 S+ 0 0 32 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.869 114.3 59.7 -58.8 -39.8 -0.9 -1.7 37.7 71 70 A E G 34 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.694 100.7 56.6 -65.2 -19.9 -0.8 2.1 37.7 72 71 A E G <4 S+ 0 0 90 -3,-1.7 -1,-0.3 2,-0.0 2,-0.3 0.562 94.7 82.0 -83.7 -16.2 2.8 2.0 39.1 73 72 A L << - 0 0 1 -3,-1.5 2,-0.5 -4,-0.6 -31,-0.2 -0.646 62.5-156.1 -91.7 153.2 4.2 -0.2 36.3 74 73 A F E -e 42 0B 3 -33,-3.0 -31,-1.8 -2,-0.3 2,-0.5 -0.933 16.4-171.7-129.2 101.8 5.3 1.1 32.9 75 74 A I E -e 43 0B 0 -2,-0.5 32,-1.5 -33,-0.2 31,-1.4 -0.883 0.9-170.7-108.5 127.0 5.1 -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 -0.929 9.8 166.0-115.2 135.1 6.5 -1.2 26.8 77 76 A S E - f 0 108B 0 30,-1.8 32,-2.2 -2,-0.4 2,-0.3 -0.831 21.4-132.7-137.5-176.6 6.1 -3.4 23.8 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.996 14.4-120.1-145.5 141.8 6.8 -3.1 20.0 79 78 A L E - f 0 110B 0 30,-3.0 32,-1.9 -2,-0.3 33,-0.4 -0.702 37.9-129.3 -81.5 118.9 5.1 -3.8 16.7 80 79 A W > - 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0 0 19 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.818 59.6-144.7-120.1 160.7 -2.7 -6.7 30.5 103 102 A D S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.526 86.2 13.2-104.2 -5.3 -5.7 -4.6 29.3 104 103 A Y - 0 0 49 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.981 66.6-132.7-156.3 157.7 -3.5 -1.7 28.1 105 104 A L B -k 154 0C 0 48,-2.1 50,-2.4 -2,-0.3 51,-0.3 -0.873 11.9-143.1-103.0 147.1 0.2 -0.9 27.4 106 105 A D S S+ 0 0 15 -31,-1.4 2,-0.3 -2,-0.4 -30,-0.2 0.847 88.7 7.9 -74.7 -32.0 1.8 2.2 28.7 107 106 A L E -f 76 0B 1 -32,-1.5 -30,-1.8 48,-0.2 2,-0.4 -0.975 61.9-168.5-152.2 134.6 3.9 2.7 25.4 108 107 A Y E -fg 77 157B 1 48,-1.8 50,-2.0 -2,-0.3 2,-0.4 -0.994 16.2-163.0-128.2 126.7 3.7 0.8 22.1 109 108 A L E -fg 78 158B 0 -32,-2.2 -30,-3.0 -2,-0.4 2,-0.7 -0.837 29.6-119.8-110.2 145.1 6.6 1.4 19.6 110 109 A I E -fg 79 159B 2 48,-2.2 50,-1.0 -2,-0.4 -30,-0.1 -0.748 35.1-148.2 -71.8 115.8 7.0 0.8 15.9 111 110 A H S S- 0 0 12 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.880 70.5 -3.1 -65.8 -42.0 10.0 -1.5 16.4 112 111 A W - 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