==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-AUG-12 4GQ0 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER B10; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.LIPING,Z.XUEHUA,C.SHANGKE,Z.JING,H.XIAOPENG . 318 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.0 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.7 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 1 1 0 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 -1 A S 0 0 133 0, 0.0 2,-0.3 0, 0.0 40,-0.2 0.000 360.0 360.0 360.0 -41.2 37.5 -8.4 22.9 2 0 A H - 0 0 60 38,-1.3 2,-0.3 2,-0.0 275,-0.1 -0.918 360.0-170.6-126.4 152.5 39.7 -7.6 19.9 3 1 A M - 0 0 140 -2,-0.3 2,-0.2 273,-0.2 39,-0.1 -0.948 18.3-137.0-143.0 123.3 40.7 -4.3 18.1 4 2 A A - 0 0 8 37,-0.4 272,-0.0 -2,-0.3 275,-0.0 -0.545 35.7 -99.7 -76.5 140.1 42.5 -4.0 14.8 5 3 A T - 0 0 81 -2,-0.2 12,-3.1 11,-0.1 2,-0.4 -0.152 40.7-112.3 -50.1 148.5 45.3 -1.4 14.5 6 4 A F E -A 16 0A 103 10,-0.2 2,-0.5 11,-0.1 -1,-0.1 -0.715 20.0-158.4 -89.2 136.2 44.4 1.9 12.9 7 5 A V E -A 15 0A 13 8,-2.8 8,-3.1 -2,-0.4 2,-0.4 -0.973 23.5-131.3-107.1 125.4 45.8 2.9 9.5 8 6 A E E -A 14 0A 101 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.642 17.5-146.6 -82.0 130.8 45.6 6.7 9.2 9 7 A L > - 0 0 5 4,-2.6 3,-2.7 -2,-0.4 198,-0.1 -0.457 31.9-101.8 -88.1 165.4 44.1 8.0 5.9 10 8 A S T 3 S+ 0 0 48 196,-0.4 -1,-0.1 1,-0.3 197,-0.1 0.764 125.7 58.2 -57.4 -24.7 45.2 11.3 4.2 11 9 A T T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.417 117.9-114.5 -80.9 -2.1 42.0 12.8 5.7 12 10 A K S < S+ 0 0 143 -3,-2.7 -2,-0.1 1,-0.3 -1,-0.0 0.246 73.6 136.2 78.1 -9.6 43.2 11.9 9.2 13 11 A A - 0 0 39 -5,-0.1 -4,-2.6 144,-0.1 2,-0.6 -0.248 57.6-118.1 -62.1 159.5 40.3 9.4 9.5 14 12 A K E -A 8 0A 100 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.899 24.7-166.2-111.4 115.4 41.2 6.0 11.1 15 13 A M E -A 7 0A 2 -8,-3.1 -8,-2.8 -2,-0.6 2,-0.1 -0.858 24.5-123.9-102.6 120.4 40.8 2.9 9.0 16 14 A P E -A 6 0A 6 0, 0.0 -10,-0.2 0, 0.0 -11,-0.1 -0.428 16.3-134.8 -65.4 134.6 41.0 -0.4 10.9 17 15 A I S S+ 0 0 4 -12,-3.1 245,-2.7 244,-0.1 2,-0.4 0.663 90.6 47.7 -69.2 -16.9 43.7 -2.6 9.3 18 16 A V B +b 262 0B 1 -13,-0.3 26,-0.6 243,-0.2 25,-0.4 -0.986 70.0 168.2-121.2 135.2 41.5 -5.7 9.3 19 17 A G E -c 44 0B 0 243,-1.9 2,-0.6 -2,-0.4 26,-0.2 -0.892 37.9 -99.8-134.8 171.6 37.9 -5.7 8.1 20 18 A L E -c 45 0B 2 24,-2.6 26,-2.6 -2,-0.3 245,-0.2 -0.829 31.0-145.9 -96.1 117.0 35.2 -8.2 7.2 21 19 A G E -cd 46 265B 5 243,-1.9 245,-0.7 -2,-0.6 26,-0.1 -0.519 13.1-173.1 -76.7 150.2 34.8 -9.0 3.5 22 20 A T > + 0 0 0 24,-0.6 3,-1.4 -2,-0.2 2,-0.3 0.302 36.3 125.0-130.7 7.6 31.2 -9.8 2.4 23 21 A W T 3 S+ 0 0 71 1,-0.2 -2,-0.0 23,-0.1 28,-0.0 -0.588 86.6 9.7 -72.9 131.7 31.4 -10.9 -1.3 24 22 A K T 3 S+ 0 0 48 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.0 0.450 87.1 141.9 76.2 4.3 29.7 -14.4 -1.8 25 23 A S < - 0 0 3 -3,-1.4 -1,-0.3 241,-0.1 5,-0.2 -0.685 53.7-127.2 -76.6 108.1 28.3 -14.2 1.8 26 24 A P >> - 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-1.9 -0.132 20.0 -96.6 -65.6 151.0 24.9 -15.8 1.1 27 25 A L T 34 S+ 0 0 106 1,-0.3 26,-0.0 2,-0.2 25,-0.0 -0.388 115.0 32.7 -57.6 138.9 21.6 -14.2 2.0 28 26 A G T 34 S+ 0 0 66 -3,-0.1 -1,-0.3 -2,-0.0 4,-0.1 0.286 121.8 51.9 92.3 -12.0 20.5 -15.7 5.3 29 27 A K T <> S+ 0 0 111 -3,-2.0 4,-2.0 -4,-0.1 -2,-0.2 0.621 91.1 66.9-122.9 -31.5 24.1 -16.1 6.5 30 28 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.815 95.1 60.2 -66.3 -30.5 25.7 -12.7 6.1 31 29 A K H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.952 110.2 39.4 -64.2 -50.9 23.6 -11.0 8.8 32 30 A E H > S+ 0 0 107 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.870 112.1 59.6 -62.9 -38.0 24.7 -13.3 11.6 33 31 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.927 106.9 45.4 -57.9 -44.7 28.3 -13.2 10.1 34 32 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.851 112.0 52.5 -68.2 -37.1 28.4 -9.4 10.6 35 33 A K H X S+ 0 0 30 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.935 110.0 47.4 -63.0 -47.5 27.0 -9.6 14.1 36 34 A V H X S+ 0 0 24 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.945 113.4 49.9 -57.8 -45.9 29.6 -12.2 15.1 37 35 A A H X>S+ 0 0 0 -4,-2.3 5,-2.8 -5,-0.2 4,-1.0 0.934 111.9 46.8 -58.6 -48.2 32.3 -9.9 13.6 38 36 A I H ><5S+ 0 0 3 -4,-2.8 3,-0.8 3,-0.2 -1,-0.2 0.929 111.5 50.8 -62.2 -45.3 31.0 -6.9 15.4 39 37 A D H 3<5S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.902 108.8 52.7 -56.3 -42.1 30.8 -8.8 18.8 40 38 A A H 3<5S- 0 0 7 -4,-2.5 -38,-1.3 -5,-0.2 -1,-0.2 0.685 130.2 -94.8 -72.1 -17.1 34.3 -10.0 18.3 41 39 A G T <<5S+ 0 0 8 -4,-1.0 -37,-0.4 -3,-0.8 -3,-0.2 0.526 71.5 148.5 116.4 7.2 35.5 -6.4 17.8 42 40 A Y < + 0 0 2 -5,-2.8 -1,-0.3 -6,-0.2 -23,-0.1 -0.505 11.5 168.6 -63.9 139.0 35.5 -5.9 14.0 43 41 A R + 0 0 64 -25,-0.4 33,-3.3 -2,-0.2 2,-0.6 0.561 56.1 76.6-122.3 -22.9 34.7 -2.3 13.1 44 42 A H E -ce 19 76B 0 -26,-0.6 -24,-2.6 31,-0.2 2,-0.5 -0.802 57.4-178.4 -95.2 118.2 35.6 -2.3 9.3 45 43 A I E -ce 20 77B 0 31,-1.8 33,-2.3 -2,-0.6 2,-0.6 -0.987 15.5-148.8-116.0 125.6 33.0 -3.9 7.0 46 44 A D E +ce 21 78B 4 -26,-2.6 -24,-0.6 -2,-0.5 2,-0.2 -0.866 29.1 164.1 -95.5 123.7 33.7 -4.2 3.3 47 45 A C - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.707 18.9-164.9-129.0 172.7 30.5 -4.1 1.1 48 46 A A > - 0 0 0 -2,-0.2 3,-1.5 31,-0.2 5,-0.5 -0.904 30.1-131.2-164.6 141.1 29.4 -3.6 -2.4 49 47 A Y G > S+ 0 0 43 31,-1.0 3,-1.3 -2,-0.3 5,-0.2 0.861 111.3 56.7 -49.3 -41.4 26.2 -2.8 -4.4 50 48 A V G 3 S+ 0 0 16 1,-0.3 -1,-0.3 30,-0.2 74,-0.0 0.631 90.9 69.3 -77.4 -11.8 27.1 -5.7 -6.7 51 49 A Y G < S- 0 0 40 -3,-1.5 -1,-0.3 1,-0.0 -27,-0.2 0.613 90.7-148.4 -79.5 -13.9 27.3 -8.3 -3.9 52 50 A Q S < S+ 0 0 125 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.654 75.1 89.1 56.2 23.9 23.5 -7.9 -3.6 53 51 A N >> + 0 0 4 -5,-0.5 4,-1.7 2,-0.1 3,-0.6 0.155 45.4 113.7-127.8 16.0 23.5 -8.6 0.2 54 52 A E H 3> S+ 0 0 3 -6,-0.2 4,-2.3 1,-0.2 5,-0.1 0.785 71.8 58.7 -63.0 -31.5 23.9 -5.1 1.5 55 53 A H H 3> S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.844 106.3 47.9 -70.3 -34.3 20.4 -4.9 3.0 56 54 A E H <> S+ 0 0 29 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.863 110.4 52.4 -71.5 -35.8 21.2 -7.9 5.3 57 55 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.907 109.5 51.0 -58.4 -43.7 24.5 -6.3 6.2 58 56 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 43,-0.3 5,-0.2 0.869 105.0 54.5 -63.7 -39.9 22.4 -3.2 7.1 59 57 A E H X S+ 0 0 75 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.931 111.0 47.0 -57.4 -46.1 20.0 -5.2 9.3 60 58 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.940 114.3 45.1 -62.3 -51.4 23.0 -6.5 11.3 61 59 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.922 113.8 50.1 -56.8 -47.7 24.7 -3.1 11.7 62 60 A Q H X S+ 0 0 74 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.885 110.4 50.2 -62.9 -40.6 21.4 -1.4 12.6 63 61 A E H X S+ 0 0 55 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.977 110.9 47.3 -59.1 -56.8 20.7 -4.1 15.2 64 62 A K H <>S+ 0 0 11 -4,-2.4 5,-2.0 1,-0.2 6,-1.1 0.811 111.7 52.1 -56.6 -34.8 24.1 -3.9 16.9 65 63 A I H ><5S+ 0 0 57 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.2 0.915 109.4 50.0 -66.0 -43.0 23.8 -0.1 16.9 66 64 A Q H 3<5S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.892 107.5 52.6 -62.7 -41.6 20.4 -0.4 18.6 67 65 A E T 3<5S- 0 0 110 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.393 111.9-121.1 -74.3 3.1 21.7 -2.8 21.3 68 66 A K T < 5S+ 0 0 185 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.766 75.5 132.9 58.2 24.5 24.4 -0.2 22.0 69 67 A A S > - 0 0 124 -2,-0.3 3,-1.8 -3,-0.1 4,-0.9 -0.862 25.9-120.3-104.7 144.9 28.3 3.3 18.1 72 70 A R G >4 S+ 0 0 30 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.813 109.6 60.0 -48.3 -39.5 28.2 4.5 14.4 73 71 A E G 34 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.771 105.1 49.9 -67.9 -22.9 31.3 6.7 14.8 74 72 A D G <4 S+ 0 0 85 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.644 95.1 88.1 -87.7 -21.3 33.4 3.7 15.7 75 73 A L << - 0 0 1 -4,-0.9 2,-0.4 -3,-0.7 -31,-0.2 -0.502 62.8-156.9 -74.0 150.4 32.1 1.6 12.7 76 74 A F E -e 44 0B 10 -33,-3.3 -31,-1.8 -2,-0.2 2,-0.5 -0.828 15.0-177.1-132.4 92.1 34.0 1.9 9.4 77 75 A I E -e 45 0B 0 -2,-0.4 31,-1.6 -33,-0.2 32,-1.5 -0.806 2.7-173.3-101.6 127.1 31.7 1.0 6.5 78 76 A V E +ef 46 109B 1 -33,-2.3 -31,-2.4 -2,-0.5 2,-0.3 -0.944 7.8 169.1-117.2 134.7 33.0 0.9 3.0 79 77 A S E - f 0 110B 0 30,-1.9 32,-2.5 -2,-0.4 2,-0.3 -0.825 20.1-131.0-133.9-177.1 31.0 0.3 -0.2 80 78 A K E - f 0 111B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.6 -0.972 10.6-124.8-141.0 146.8 31.6 0.6 -3.9 81 79 A L E - f 0 112B 0 30,-3.6 32,-2.5 -2,-0.3 33,-0.5 -0.841 29.8-136.7 -90.9 121.4 30.1 2.1 -7.1 82 80 A W > - 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0 0 22 -5,-2.0 -1,-0.2 -6,-0.1 3,-0.1 -0.773 60.6-145.1-116.3 164.6 23.1 4.3 7.3 105 103 A S S S+ 0 0 88 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.436 87.1 9.4-101.8 -7.7 23.1 8.1 7.0 106 104 A Y - 0 0 34 -7,-0.1 2,-0.4 50,-0.0 -1,-0.3 -0.966 65.6-128.0-165.1 154.3 26.7 8.2 5.6 107 105 A L B -k 156 0C 0 48,-2.3 50,-2.8 -2,-0.3 51,-0.3 -0.872 10.2-146.8-104.2 145.0 29.5 6.0 4.3 108 106 A D S S+ 0 0 17 -31,-1.6 2,-0.3 -2,-0.4 50,-0.3 0.902 88.8 6.1 -74.3 -41.5 33.1 6.1 5.6 109 107 A V E -f 78 0B 0 -32,-1.5 -30,-1.9 48,-0.2 2,-0.5 -0.996 61.8-163.4-139.8 140.1 34.5 5.4 2.2 110 108 A Y E -fg 79 159B 0 48,-1.9 50,-1.8 -2,-0.3 2,-0.3 -0.992 20.7-161.5-121.1 121.5 32.9 5.0 -1.2 111 109 A L E -fg 80 160B 1 -32,-2.5 -30,-3.6 -2,-0.5 2,-0.7 -0.739 26.8-121.5-104.7 147.9 35.0 3.3 -3.9 112 110 A I E -fg 81 161B 0 48,-1.8 50,-1.1 -2,-0.3 -30,-0.1 -0.805 30.5-153.6 -76.8 119.1 35.0 3.1 -7.6 113 111 A H S S+ 0 0 15 -32,-2.5 -1,-0.2 -2,-0.7 -31,-0.2 0.871 70.8 0.9 -68.9 -36.3 34.7 -0.7 -7.9 114 112 A W - 0 0 8 -33,-0.5 -1,-0.2 -3,-0.1 49,-0.1 -0.988 65.8-130.6-154.0 141.6 36.3 -1.0 -11.3 115 113 A P S S+ 0 0 2 0, 0.0 25,-0.5 0, 0.0 2,-0.4 0.740 80.9 85.1 -74.5 -21.1 37.9 1.6 -13.7 116 114 A Q S S- 0 0 3 23,-0.1 2,-0.3 195,-0.1 195,-0.1 -0.661 77.7-127.3 -87.5 132.7 36.1 0.6 -16.9 117 115 A G - 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