==== 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 23-AUG-12 4GQG . 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) . 13970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.3 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 . 44 13.8 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 1 2 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 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 0 159 0, 0.0 2,-0.3 0, 0.0 40,-0.2 0.000 360.0 360.0 360.0 113.1 -25.7 27.6 -23.2 2 0 A H - 0 0 55 38,-1.9 2,-0.4 40,-0.0 275,-0.1 -0.878 360.0-165.7-119.1 152.5 -26.0 30.0 -20.2 3 1 A M - 0 0 135 -2,-0.3 2,-0.3 273,-0.1 39,-0.1 -0.948 16.0-138.4-139.8 123.2 -23.8 32.4 -18.5 4 2 A A - 0 0 7 37,-0.4 272,-0.0 -2,-0.4 275,-0.0 -0.549 34.9-101.1 -72.7 139.1 -24.3 34.1 -15.2 5 3 A T - 0 0 74 -2,-0.3 12,-3.2 11,-0.1 2,-0.4 -0.141 38.7-117.0 -45.9 146.9 -23.4 37.8 -14.9 6 4 A F E -A 16 0A 98 10,-0.2 2,-0.5 11,-0.1 -1,-0.1 -0.731 17.0-153.7 -90.9 139.3 -20.1 38.5 -13.3 7 5 A V E -A 15 0A 13 8,-2.8 8,-2.9 -2,-0.4 2,-0.4 -0.967 24.0-128.3-105.2 128.6 -20.0 40.4 -10.0 8 6 A E E -A 14 0A 102 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.586 20.8-148.3 -77.9 129.3 -16.6 42.2 -9.7 9 7 A L > - 0 0 3 4,-2.9 3,-2.4 -2,-0.4 198,-0.1 -0.484 32.0-101.3 -89.5 170.1 -14.8 41.5 -6.4 10 8 A S T 3 S+ 0 0 52 196,-0.4 -1,-0.1 1,-0.3 197,-0.1 0.736 126.1 57.3 -63.8 -23.3 -12.5 44.0 -4.7 11 9 A T T 3 S- 0 0 71 2,-0.1 -1,-0.3 172,-0.0 3,-0.1 0.401 118.3-114.9 -80.4 -1.2 -9.5 41.9 -6.1 12 10 A K S < S+ 0 0 136 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.0 0.323 73.2 136.6 74.5 -5.0 -10.9 42.5 -9.6 13 11 A A - 0 0 37 -5,-0.1 -4,-2.9 1,-0.1 2,-0.6 -0.322 56.9-122.6 -63.0 159.1 -11.6 38.8 -10.0 14 12 A K E -A 8 0A 109 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.928 23.3-164.4-115.0 117.7 -15.1 38.1 -11.5 15 13 A M E -A 7 0A 2 -8,-2.9 -8,-2.8 -2,-0.6 2,-0.1 -0.872 25.4-118.6-107.0 123.2 -17.4 35.9 -9.5 16 14 A P E -A 6 0A 6 0, 0.0 -10,-0.2 0, 0.0 -11,-0.1 -0.378 17.4-137.1 -62.3 133.7 -20.5 34.4 -11.3 17 15 A I S S+ 0 0 3 -12,-3.2 245,-2.7 244,-0.1 2,-0.4 0.674 89.9 49.8 -73.7 -18.3 -23.6 35.8 -9.7 18 16 A V B S+b 262 0B 0 -13,-0.3 26,-0.6 243,-0.2 25,-0.4 -0.984 70.3 168.8-114.0 134.2 -25.4 32.3 -9.8 19 17 A G E -c 44 0B 0 243,-2.2 2,-0.6 -2,-0.4 26,-0.2 -0.920 36.9-101.9-131.3 171.9 -23.5 29.2 -8.5 20 18 A L E -c 45 0B 2 24,-2.5 26,-2.8 -2,-0.3 245,-0.2 -0.778 30.9-143.9 -96.6 122.5 -24.5 25.6 -7.6 21 19 A G E -cd 46 265B 5 243,-2.3 245,-0.7 -2,-0.6 26,-0.1 -0.521 15.5-175.6 -78.6 148.4 -25.0 24.8 -3.9 22 20 A T > + 0 0 0 24,-0.6 3,-1.6 -2,-0.2 2,-0.4 0.305 36.4 125.8-128.4 4.7 -23.8 21.3 -2.7 23 21 A W T 3 S+ 0 0 74 1,-0.3 -2,-0.1 24,-0.1 28,-0.0 -0.583 90.1 7.8 -67.5 128.0 -24.9 21.1 1.0 24 22 A K T 3 S+ 0 0 51 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.0 0.489 88.9 140.2 76.3 3.7 -27.0 17.9 1.4 25 23 A S < - 0 0 4 -3,-1.6 -1,-0.3 241,-0.1 5,-0.1 -0.711 53.6-131.5 -80.3 113.4 -26.2 16.8 -2.2 26 24 A P >> - 0 0 60 0, 0.0 4,-2.0 0, 0.0 3,-1.8 -0.223 17.4 -96.1 -70.0 156.6 -25.7 13.1 -1.4 27 25 A L T 34 S+ 0 0 99 1,-0.2 26,-0.0 2,-0.2 25,-0.0 -0.431 116.5 34.8 -61.0 142.9 -22.7 10.9 -2.5 28 26 A G T 34 S+ 0 0 69 -3,-0.1 -1,-0.2 -2,-0.1 4,-0.1 0.265 122.1 49.6 87.3 -14.5 -23.8 9.2 -5.7 29 27 A K T <> S+ 0 0 111 -3,-1.8 4,-1.9 2,-0.1 -2,-0.2 0.588 94.2 66.7-116.5 -32.2 -25.9 12.2 -6.9 30 28 A V H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.846 94.4 59.5 -60.4 -36.9 -23.5 15.2 -6.5 31 29 A K H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.968 110.6 40.5 -60.0 -51.3 -21.1 14.1 -9.2 32 30 A E H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.887 111.2 58.4 -60.8 -37.5 -23.8 14.1 -11.9 33 31 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.937 108.8 45.2 -60.7 -44.6 -25.3 17.4 -10.5 34 32 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.891 112.5 51.1 -66.5 -41.7 -22.0 19.2 -11.0 35 33 A K H X S+ 0 0 35 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.941 112.1 46.7 -57.6 -50.7 -21.6 17.7 -14.5 36 34 A V H X S+ 0 0 23 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.920 112.6 49.9 -57.8 -45.3 -25.1 18.8 -15.5 37 35 A A H X>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.3 4,-1.4 0.958 111.3 48.2 -61.1 -47.5 -24.5 22.3 -14.0 38 36 A I H ><5S+ 0 0 2 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.927 110.7 51.7 -61.2 -40.4 -21.2 22.6 -15.9 39 37 A D H 3<5S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.921 108.7 51.5 -61.5 -35.6 -22.8 21.5 -19.2 40 38 A A H 3<5S- 0 0 12 -4,-2.2 -38,-1.9 -5,-0.2 -1,-0.2 0.760 129.2 -95.6 -74.9 -19.6 -25.6 24.1 -18.7 41 39 A G T <<5S+ 0 0 8 -4,-1.4 -37,-0.4 -3,-0.6 -3,-0.2 0.461 72.3 146.4 116.8 4.8 -23.0 26.8 -18.2 42 40 A Y < + 0 0 1 -5,-2.4 -1,-0.3 -6,-0.2 -23,-0.1 -0.508 13.3 169.7 -63.9 143.4 -22.6 27.1 -14.4 43 41 A R + 0 0 66 -25,-0.4 33,-3.1 -2,-0.1 2,-0.5 0.537 56.0 77.5-124.5 -25.4 -19.0 28.1 -13.6 44 42 A H E -ce 19 76B 0 -26,-0.6 -24,-2.5 31,-0.2 2,-0.4 -0.772 56.4-179.2 -90.5 118.9 -19.4 28.9 -9.8 45 43 A I E -ce 20 77B 0 31,-1.8 33,-2.4 -2,-0.5 2,-0.5 -0.997 16.7-148.3-117.2 128.3 -19.7 25.8 -7.5 46 44 A D E +ce 21 78B 3 -26,-2.8 -24,-0.6 -2,-0.4 2,-0.2 -0.865 30.2 164.1 -98.7 124.9 -20.2 26.4 -3.7 47 45 A C - 0 0 0 31,-2.1 2,-0.3 -2,-0.5 3,-0.1 -0.725 18.2-164.4-131.6 168.0 -18.5 23.6 -1.6 48 46 A A > - 0 0 0 -2,-0.2 3,-0.8 31,-0.2 5,-0.5 -0.946 31.7-128.3-161.7 149.2 -17.4 22.8 2.0 49 47 A Y G > S+ 0 0 54 31,-1.1 3,-1.7 -2,-0.3 5,-0.2 0.920 111.7 56.2 -53.0 -44.8 -15.2 20.5 4.0 50 48 A V G 3 S+ 0 0 19 1,-0.3 -1,-0.2 30,-0.2 74,-0.0 0.745 91.3 69.2 -69.1 -18.6 -18.2 19.8 6.3 51 49 A Y G < S- 0 0 36 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.610 91.7-148.1 -74.4 -11.6 -20.6 18.7 3.4 52 50 A Q S < S+ 0 0 128 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.708 74.1 90.1 49.1 31.7 -18.3 15.6 3.2 53 51 A N >> + 0 0 3 -5,-0.5 4,-1.6 2,-0.1 3,-1.1 0.213 42.3 114.1-129.3 8.4 -18.8 15.3 -0.6 54 52 A E H 3> S+ 0 0 3 -6,-0.3 4,-3.0 1,-0.3 5,-0.2 0.839 71.9 62.7 -56.3 -27.5 -15.9 17.4 -2.0 55 53 A H H 3> S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.902 104.4 46.4 -69.0 -31.3 -14.2 14.3 -3.5 56 54 A E H <> S+ 0 0 32 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.870 111.3 51.2 -78.1 -35.5 -17.2 13.7 -5.8 57 55 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.911 109.6 52.2 -53.6 -45.9 -17.3 17.4 -6.8 58 56 A G H X S+ 0 0 0 -4,-3.0 4,-2.5 43,-0.3 -2,-0.2 0.891 108.1 51.4 -62.5 -38.2 -13.6 17.0 -7.5 59 57 A E H X S+ 0 0 62 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.897 109.7 48.5 -64.3 -46.4 -14.3 14.0 -9.8 60 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.924 113.3 47.2 -58.1 -48.5 -16.9 15.8 -11.8 61 59 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 112.5 48.6 -62.1 -46.7 -14.7 18.8 -12.3 62 60 A Q H X S+ 0 0 79 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.910 111.7 50.1 -59.3 -44.5 -11.6 16.8 -13.3 63 61 A E H X S+ 0 0 54 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.924 111.3 47.3 -64.2 -40.7 -13.7 14.8 -15.8 64 62 A K H <>S+ 0 0 12 -4,-2.5 5,-2.1 2,-0.2 6,-1.0 0.836 111.5 51.8 -69.6 -31.8 -15.2 17.9 -17.4 65 63 A I H ><5S+ 0 0 58 -4,-2.4 3,-1.6 -5,-0.2 -2,-0.2 0.957 111.4 46.8 -67.2 -46.5 -11.7 19.4 -17.7 66 64 A Q H 3<5S+ 0 0 127 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.936 110.0 53.6 -57.2 -48.1 -10.4 16.3 -19.4 67 65 A E T 3<5S- 0 0 113 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.555 111.4-124.4 -59.4 -12.9 -13.4 16.2 -21.7 68 66 A K T < 5S+ 0 0 183 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.730 74.1 129.0 65.0 26.0 -12.6 19.9 -22.7 69 67 A A S > - 0 0 130 -2,-0.3 3,-1.3 -3,-0.1 4,-0.5 -0.797 27.3-121.2 -99.6 150.8 -11.1 25.2 -18.6 72 70 A R G >4 S+ 0 0 33 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.873 110.5 59.7 -53.1 -43.5 -10.0 25.6 -14.9 73 71 A E G 34 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.690 102.4 51.9 -66.4 -19.3 -9.6 29.4 -15.3 74 72 A D G <4 S+ 0 0 91 -3,-1.3 -1,-0.3 2,-0.0 2,-0.2 0.527 96.2 86.5 -90.9 -8.5 -13.3 29.8 -16.2 75 73 A L << - 0 0 2 -3,-1.6 2,-0.4 -4,-0.5 -31,-0.2 -0.568 63.2-156.1 -88.5 161.0 -14.4 27.8 -13.1 76 74 A F E -e 44 0B 11 -33,-3.1 -31,-1.8 -2,-0.2 2,-0.5 -0.876 13.5-172.3-141.2 98.9 -14.9 29.5 -9.8 77 75 A I E -e 45 0B 0 -2,-0.4 31,-1.7 -33,-0.2 32,-1.7 -0.840 2.7-171.7-110.8 127.7 -14.7 27.2 -6.9 78 76 A V E +ef 46 109B 0 -33,-2.4 -31,-2.1 -2,-0.5 2,-0.3 -0.927 9.3 167.8-120.3 132.1 -15.5 28.2 -3.3 79 77 A S E - f 0 110B 0 30,-1.9 32,-2.4 -2,-0.4 2,-0.3 -0.832 20.1-133.9-132.9-179.6 -14.9 26.1 -0.2 80 78 A K E - f 0 111B 0 -2,-0.3 -31,-1.1 30,-0.2 2,-0.5 -0.993 11.0-124.7-145.2 144.5 -15.0 26.9 3.6 81 79 A L E - 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