==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAY-11 3RX2 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.ZHENG,J.CHEN,H.LUO,X.HU . 318 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.1 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 27.0 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 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 -2 A S 0 0 38 0, 0.0 279,-0.1 0, 0.0 280,-0.1 0.000 360.0 360.0 360.0 18.2 18.5 -12.0 23.9 2 -1 A H + 0 0 171 1,-0.1 2,-0.2 277,-0.1 278,-0.1 0.964 360.0 128.5 43.8 65.7 17.4 -14.9 21.7 3 0 A M - 0 0 49 276,-0.2 -1,-0.1 279,-0.0 2,-0.1 -0.770 49.2-150.3-156.5 105.3 15.3 -12.4 19.5 4 1 A A - 0 0 74 -2,-0.2 13,-0.1 1,-0.1 3,-0.0 -0.359 21.9-129.0 -69.1 153.3 15.4 -11.9 15.8 5 2 A S S S+ 0 0 73 11,-0.1 12,-2.6 12,-0.1 13,-0.5 0.712 85.0 35.0 -81.1 -19.7 14.6 -8.4 14.5 6 3 A R E -A 16 0A 110 10,-0.3 2,-0.3 11,-0.1 -2,-0.1 -0.927 63.9-152.7-134.0 152.5 11.9 -9.4 12.0 7 4 A L E -A 15 0A 35 8,-2.4 8,-2.5 -2,-0.3 2,-0.5 -0.848 29.3-101.1-121.5 168.7 9.2 -12.0 11.7 8 5 A L E -A 14 0A 116 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.736 29.7-153.2 -95.0 127.7 7.6 -13.6 8.6 9 6 A L > - 0 0 4 4,-3.1 3,-1.8 -2,-0.5 198,-0.1 -0.544 30.9-109.1 -89.3 163.2 4.2 -12.4 7.3 10 7 A N T 3 S+ 0 0 68 196,-0.4 171,-0.1 1,-0.3 -1,-0.1 0.366 116.7 65.4 -76.7 6.0 1.8 -14.6 5.4 11 8 A N T 3 S- 0 0 63 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.342 120.6-106.8-101.3 2.0 2.5 -12.5 2.3 12 9 A G S < S+ 0 0 61 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.458 83.0 117.4 89.3 2.1 6.1 -13.8 2.4 13 10 A A - 0 0 35 144,-0.1 -4,-3.1 95,-0.1 2,-0.4 -0.665 62.1-121.2-103.2 158.5 7.7 -10.6 3.5 14 11 A K E -A 8 0A 114 -2,-0.2 -6,-0.2 -6,-0.2 -8,-0.0 -0.802 21.6-160.2-101.2 142.0 9.5 -9.8 6.8 15 12 A M E -A 7 0A 0 -8,-2.5 -8,-2.4 -2,-0.4 2,-0.2 -0.978 23.5-117.2-124.6 128.1 8.4 -7.2 9.2 16 13 A P E -A 6 0A 12 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.444 19.4-142.8 -63.5 130.9 10.5 -5.5 11.9 17 14 A I S S+ 0 0 8 -12,-2.6 245,-2.7 -2,-0.2 2,-0.5 0.617 85.9 57.9 -77.0 -10.5 9.1 -6.4 15.3 18 15 A L B +b 262 0B 4 -13,-0.5 25,-0.6 243,-0.2 26,-0.4 -0.979 67.8 166.8-120.0 123.3 9.9 -3.0 16.7 19 16 A G - 0 0 0 243,-2.4 2,-0.5 -2,-0.5 26,-0.3 -0.862 36.4-109.7-125.6 167.0 8.5 0.1 15.0 20 17 A L E -c 45 0B 2 24,-2.5 26,-3.2 -2,-0.3 245,-0.2 -0.866 29.7-141.4 -94.9 126.1 8.2 3.8 15.9 21 18 A G E -cd 46 265B 4 243,-2.2 245,-0.7 -2,-0.5 26,-0.1 -0.543 15.6-173.7 -81.0 153.0 4.6 5.1 16.6 22 19 A T > + 0 0 1 24,-0.7 3,-1.4 -2,-0.2 2,-0.4 0.333 37.5 125.4-132.3 5.5 3.6 8.5 15.3 23 20 A W T 3 S+ 0 0 65 1,-0.2 -2,-0.1 23,-0.1 29,-0.0 -0.562 88.8 8.3 -68.9 126.5 0.1 9.2 16.7 24 21 A K T 3 S+ 0 0 48 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.351 89.7 138.9 83.8 -3.3 0.3 12.5 18.6 25 22 A S < - 0 0 4 -3,-1.4 -1,-0.3 1,-0.1 5,-0.2 -0.634 59.9-118.2 -75.9 114.1 3.8 13.3 17.4 26 23 A P >> - 0 0 48 0, 0.0 3,-2.5 0, 0.0 4,-2.3 -0.188 13.6-122.6 -59.9 145.4 3.6 17.1 16.6 27 24 A P H 3> S+ 0 0 68 0, 0.0 4,-0.5 0, 0.0 -2,-0.1 0.786 113.0 53.8 -59.6 -28.1 4.3 18.0 12.9 28 25 A G H 34 S+ 0 0 76 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.448 119.3 32.8 -82.9 -1.9 7.1 20.2 14.0 29 26 A Q H <> S+ 0 0 96 -3,-2.5 4,-2.0 2,-0.1 -1,-0.2 0.553 99.9 75.2-124.3 -20.8 8.8 17.4 16.0 30 27 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.799 89.2 59.4 -74.9 -26.7 8.0 14.2 14.1 31 28 A T H X S+ 0 0 29 -4,-0.5 4,-2.1 -5,-0.2 -1,-0.2 0.969 111.8 40.9 -63.2 -50.9 10.5 14.8 11.2 32 29 A E H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.896 113.5 55.7 -59.0 -40.8 13.4 14.9 13.7 33 30 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.934 109.5 44.9 -60.5 -46.1 11.9 12.0 15.7 34 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.887 111.8 52.5 -68.2 -38.6 11.8 9.8 12.6 35 32 A K H X S+ 0 0 55 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.932 111.7 45.8 -59.5 -48.9 15.3 10.8 11.5 36 33 A V H X S+ 0 0 31 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.905 110.8 54.6 -58.8 -45.2 16.7 9.9 14.9 37 34 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 -5,-0.3 4,-0.5 0.952 110.9 43.4 -56.2 -51.0 14.8 6.7 14.9 38 35 A I H ><5S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.936 112.0 54.9 -62.9 -41.8 16.3 5.6 11.6 39 36 A D H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 111.0 44.9 -57.6 -36.7 19.7 6.7 12.7 40 37 A V H 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -3,-0.2 -2,-0.2 0.372 132.5 -83.1 -96.7 5.0 19.5 4.5 15.9 41 38 A G T <<5S+ 0 0 20 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.284 76.6 139.5 124.2 -11.2 18.1 1.5 14.1 42 39 A Y < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -23,-0.1 -0.409 15.1 170.9 -64.3 140.9 14.4 1.6 13.6 43 40 A R + 0 0 72 -25,-0.6 33,-3.0 1,-0.1 2,-0.4 0.341 59.8 68.4-128.4 0.2 13.3 0.3 10.2 44 41 A H E - e 0 76B 0 -26,-0.4 -24,-2.5 31,-0.2 2,-0.4 -0.990 57.5-175.0-129.1 125.2 9.5 0.3 10.8 45 42 A I E -ce 20 77B 0 31,-1.4 33,-2.4 -2,-0.4 2,-0.6 -0.989 16.0-145.1-121.8 130.4 7.4 3.4 11.2 46 43 A D E +ce 21 78B 5 -26,-3.2 -24,-0.7 -2,-0.4 2,-0.2 -0.877 31.0 166.3 -99.7 121.2 3.7 3.3 12.0 47 44 A C - 0 0 0 31,-2.5 2,-0.3 -2,-0.6 3,-0.1 -0.694 19.1-170.7-124.7 169.5 1.7 6.0 10.3 48 45 A A > > - 0 0 0 -2,-0.2 3,-1.2 31,-0.2 5,-0.5 -0.913 30.8-131.0-161.5 144.4 -1.9 7.1 9.6 49 46 A H G > 5S+ 0 0 33 31,-1.0 3,-1.6 -2,-0.3 5,-0.2 0.859 109.9 60.7 -57.5 -36.9 -3.6 9.8 7.5 50 47 A V G 3 5S+ 0 0 22 1,-0.3 -1,-0.3 30,-0.2 74,-0.1 0.700 90.0 68.2 -69.6 -18.3 -5.8 10.6 10.5 51 48 A Y G < 5S- 0 0 40 -3,-1.2 -1,-0.3 1,-0.1 -27,-0.2 0.654 96.0-143.5 -75.2 -14.8 -2.7 11.5 12.5 52 49 A Q T < 5S+ 0 0 147 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.665 76.5 89.4 65.9 21.8 -2.3 14.5 10.2 53 50 A N >< + 0 0 3 -5,-0.5 4,-2.1 2,-0.1 5,-0.2 0.169 41.3 112.2-134.5 18.8 1.5 14.3 10.1 54 51 A E H > S+ 0 0 4 1,-0.2 4,-2.9 -6,-0.2 5,-0.2 0.857 75.9 58.5 -64.2 -34.7 2.3 12.0 7.3 55 52 A N H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 110.3 42.9 -56.7 -47.1 3.9 14.8 5.2 56 53 A E H > S+ 0 0 52 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.850 112.7 51.8 -73.2 -36.0 6.4 15.5 8.0 57 54 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.930 108.5 54.0 -59.9 -44.7 7.1 11.8 8.6 58 55 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.851 100.5 59.0 -58.4 -39.6 7.7 11.5 4.8 59 56 A V H X S+ 0 0 61 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.919 107.5 47.1 -55.5 -43.8 10.3 14.3 4.9 60 57 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.939 113.1 47.1 -63.5 -48.1 12.3 12.3 7.4 61 58 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.945 113.4 48.8 -60.3 -48.4 12.1 9.1 5.4 62 59 A Q H X S+ 0 0 83 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.890 110.2 50.7 -60.9 -43.4 13.0 10.8 2.2 63 60 A E H X S+ 0 0 43 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.895 110.8 48.5 -61.9 -41.2 16.0 12.6 3.7 64 61 A K H <>S+ 0 0 12 -4,-2.1 5,-2.2 2,-0.2 6,-1.2 0.813 113.3 47.9 -70.8 -29.9 17.3 9.3 5.1 65 62 A L H ><5S+ 0 0 37 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.927 113.5 47.3 -70.4 -46.6 16.9 7.6 1.7 66 63 A R H 3<5S+ 0 0 162 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.861 111.9 50.1 -62.5 -38.4 18.6 10.5 -0.1 67 64 A E T 3<5S- 0 0 82 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.472 110.4-126.9 -76.5 -4.1 21.4 10.5 2.5 68 65 A Q T < 5 + 0 0 175 -3,-1.2 -3,-0.2 2,-0.2 3,-0.1 0.817 69.5 133.7 56.1 35.9 21.7 6.7 1.9 69 66 A V S > - 0 0 135 -2,-0.3 3,-1.6 -3,-0.1 4,-0.5 -0.753 29.9-117.3 -96.3 152.9 17.6 1.7 1.4 72 69 A R G >4 S+ 0 0 38 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.865 115.2 60.1 -53.8 -39.3 13.8 1.6 0.7 73 70 A E G 34 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.730 101.1 55.2 -62.1 -24.3 13.9 -2.2 0.7 74 71 A E G <4 S+ 0 0 94 -3,-1.6 2,-0.3 2,-0.0 -1,-0.3 0.571 95.7 82.5 -86.8 -11.1 15.1 -2.0 4.3 75 72 A L << - 0 0 2 -3,-1.4 2,-0.5 -4,-0.5 -31,-0.2 -0.658 59.9-160.1 -95.0 150.1 12.2 0.1 5.5 76 73 A F E -e 44 0B 8 -33,-3.0 -31,-1.4 -2,-0.3 2,-0.5 -0.894 15.8-171.6-128.5 98.4 8.8 -1.2 6.5 77 74 A I E -e 45 0B 0 -2,-0.5 31,-1.7 -33,-0.2 32,-1.5 -0.831 0.3-168.9-100.6 127.3 6.3 1.7 6.3 78 75 A V E +ef 46 109B 0 -33,-2.4 -31,-2.5 -2,-0.5 2,-0.3 -0.914 11.5 163.6-114.4 136.6 2.8 1.2 7.6 79 76 A S E - f 0 110B 0 30,-1.9 32,-2.1 -2,-0.4 2,-0.4 -0.847 22.9-130.2-138.3-175.4 -0.2 3.4 7.2 80 77 A K E - f 0 111B 1 -2,-0.3 -31,-1.0 30,-0.2 2,-0.6 -0.993 15.0-119.8-145.9 140.8 -4.0 3.0 7.6 81 78 A L E - f 0 112B 0 30,-3.0 32,-1.7 -2,-0.4 33,-0.4 -0.701 38.4-129.2 -78.9 117.3 -7.2 3.8 5.7 82 79 A W > - 0 0 8 -2,-0.6 3,-1.7 31,-0.1 36,-0.1 -0.241 19.9-108.8 -72.4 160.9 -9.3 6.2 7.7 83 80 A C G > S+ 0 0 0 1,-0.3 35,-2.9 2,-0.1 3,-0.8 0.679 112.7 62.4 -64.1 -24.6 -13.0 5.4 8.4 84 81 A T G 3 S+ 0 0 0 1,-0.2 -1,-0.3 33,-0.2 37,-0.2 0.337 100.5 57.0 -85.2 6.5 -14.4 8.1 6.1 85 82 A Y G < + 0 0 51 -3,-1.7 -1,-0.2 35,-0.1 5,-0.2 0.067 65.3 113.3-122.9 24.2 -12.8 6.3 3.1 86 83 A H < + 0 0 3 -3,-0.8 60,-0.1 32,-0.3 53,-0.1 0.747 48.7 107.0 -69.3 -23.6 -14.3 2.8 3.4 87 84 A E S >> S- 0 0 39 1,-0.1 3,-3.0 -3,-0.1 4,-1.1 -0.344 80.8-121.9 -58.9 133.2 -16.3 3.2 0.1 88 85 A K H 3> S+ 0 0 164 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.811 111.4 51.7 -40.6 -44.6 -14.9 1.2 -2.8 89 86 A G H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.449 110.0 48.9 -81.1 -0.4 -14.4 4.3 -4.9 90 87 A L H <> S+ 0 0 66 -3,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.585 89.1 80.6-109.6 -17.0 -12.5 6.2 -2.2 91 88 A V H X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.5 5,-0.2 0.927 90.6 48.2 -64.4 -51.5 -9.9 3.6 -1.1 92 89 A K H X S+ 0 0 88 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.933 113.6 48.2 -55.4 -48.7 -7.3 4.1 -3.9 93 90 A G H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 110.1 51.2 -61.0 -38.2 -7.3 7.8 -3.5 94 91 A A H X S+ 0 0 12 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.898 113.0 46.7 -65.1 -41.6 -6.9 7.6 0.2 95 92 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.931 111.8 50.6 -64.6 -44.9 -4.0 5.3 -0.2 96 93 A Q H X S+ 0 0 90 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.830 107.0 54.1 -65.0 -34.4 -2.5 7.5 -2.9 97 94 A K H X S+ 0 0 100 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.932 110.8 46.4 -63.7 -44.7 -2.7 10.6 -0.7 98 95 A T H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.932 112.7 49.8 -60.1 -46.3 -0.8 8.7 2.0 99 96 A L H X>S+ 0 0 14 -4,-2.7 5,-2.5 1,-0.2 4,-0.7 0.898 112.9 47.3 -59.9 -41.8 1.8 7.6 -0.5 100 97 A S H <5S+ 0 0 82 -4,-2.4 3,-0.4 3,-0.2 -2,-0.2 0.919 113.8 46.4 -67.9 -44.9 2.2 11.1 -1.8 101 98 A D H <5S+ 0 0 22 -4,-2.7 -43,-0.2 1,-0.2 -2,-0.2 0.895 115.8 45.0 -62.3 -43.4 2.5 12.6 1.7 102 99 A L H <5S- 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.586 108.9-128.5 -77.9 -10.5 5.0 9.9 2.8 103 100 A K T <5 + 0 0 72 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.846 63.9 129.8 62.7 42.7 6.8 10.4 -0.5 104 101 A L < - 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