==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUN-06 2HE5 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1, MEMBER C21; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.FAUCHER,K.PEREIRA DE JESUS-TRAN,L.CANTIN,V.LUU-THE, . 1264 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 864 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 3.5 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 69 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 202 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.4 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 2 2 4 2 10 1 10 0 0 9 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 11 11 4 6 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 . 8 4 4 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 . 8 0 0 0 0 0 0 4 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 6 A H 0 0 167 0, 0.0 12,-1.6 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0 113.7 -1.8 10.6 16.5 2 7 A C E -A 12 0A 85 10,-0.2 2,-0.3 11,-0.1 8,-0.0 -0.467 360.0-157.0-113.3-175.3 0.1 7.4 17.2 3 8 A V E -A 11 0A 50 8,-0.8 8,-3.0 -2,-0.2 2,-0.3 -0.935 28.5-109.3-157.5 152.2 -0.7 3.7 17.9 4 9 A I E -A 10 0A 85 -2,-0.3 6,-0.3 6,-0.3 2,-0.3 -0.739 19.2-139.9-101.8 144.0 1.5 1.2 19.7 5 10 A L > - 0 0 4 4,-4.7 3,-2.6 -2,-0.3 4,-0.2 -0.685 31.9-107.8 -94.5 148.4 3.4 -1.7 18.2 6 11 A N T 3 S+ 0 0 45 199,-0.6 174,-0.2 1,-0.3 -1,-0.1 0.333 116.8 66.9 -59.5 11.1 3.6 -5.1 20.0 7 12 A D T 3 S- 0 0 39 2,-0.2 -1,-0.3 175,-0.1 3,-0.1 0.245 123.0-100.6-112.7 8.5 7.3 -4.3 20.7 8 13 A G S < S+ 0 0 50 -3,-2.6 -2,-0.1 1,-0.3 2,-0.1 0.278 87.6 118.0 91.4 -9.8 6.3 -1.4 23.1 9 14 A N - 0 0 42 -4,-0.2 -4,-4.7 147,-0.1 2,-0.3 -0.457 57.3-130.4 -90.2 161.5 7.0 1.3 20.5 10 15 A F E -A 4 0A 114 -6,-0.3 -6,-0.3 -2,-0.1 -8,-0.0 -0.866 16.9-166.4-112.4 148.5 4.6 3.8 18.9 11 16 A I E -A 3 0A 1 -8,-3.0 -8,-0.8 -2,-0.3 2,-0.3 -0.993 29.5-107.7-135.0 138.4 4.1 4.6 15.2 12 17 A P E -A 2 0A 20 0, 0.0 -10,-0.2 0, 0.0 250,-0.0 -0.491 21.9-140.4 -65.3 122.2 2.3 7.5 13.5 13 18 A V S S+ 0 0 25 -12,-1.6 249,-2.6 -2,-0.3 2,-0.5 0.613 91.4 55.7 -60.0 -11.9 -1.0 6.2 12.0 14 19 A L E S+b 262 0B 9 -13,-0.4 28,-0.5 247,-0.2 29,-0.5 -0.976 71.3 169.0-126.4 119.6 -0.2 8.5 9.0 15 20 A G E -b 263 0B 0 247,-2.4 249,-1.3 -2,-0.5 2,-0.5 -0.858 29.6-125.2-128.5 164.4 3.0 8.3 7.1 16 21 A F E -bc 264 44B 4 27,-3.3 29,-3.1 -2,-0.3 2,-0.3 -0.919 20.6-140.0-113.1 127.8 4.6 9.6 3.9 17 22 A G E - c 0 45B 10 247,-1.5 249,-0.2 -2,-0.5 29,-0.2 -0.612 2.9-155.2 -83.3 144.8 6.0 7.2 1.3 18 23 A T + 0 0 7 27,-2.2 2,-0.2 -2,-0.3 29,-0.1 0.020 49.0 126.7-110.0 27.6 9.2 8.3 -0.3 19 24 A A - 0 0 34 26,-0.1 -2,-0.1 27,-0.1 26,-0.0 -0.582 45.4-151.5 -81.5 148.8 8.9 6.3 -3.5 20 25 A L - 0 0 12 -2,-0.2 -2,-0.1 30,-0.1 6,-0.0 -0.961 20.9-100.5-127.5 144.4 9.2 8.4 -6.7 21 26 A P - 0 0 42 0, 0.0 836,-0.0 0, 0.0 840,-0.0 -0.337 47.1-102.6 -60.0 136.6 7.8 8.0 -10.3 22 27 A L S S+ 0 0 81 1,-0.2 -2,-0.0 835,-0.1 835,-0.0 0.705 118.4 47.7 -29.2 -40.8 10.4 6.5 -12.6 23 28 A E S S+ 0 0 134 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.993 82.4 95.8 -69.1 -79.6 11.0 10.0 -14.1 24 29 A C S S- 0 0 23 1,-0.1 -4,-0.1 2,-0.1 5,-0.1 0.348 82.3-108.6 -17.0 127.1 11.5 12.4 -11.1 25 30 A P >> - 0 0 87 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.360 29.0-110.7 -64.4 147.8 15.2 12.9 -10.2 26 31 A K T >4 S+ 0 0 78 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.790 116.7 66.5 -49.8 -29.8 16.2 11.3 -7.0 27 32 A S T >> S+ 0 0 67 1,-0.2 3,-2.1 2,-0.2 4,-0.8 0.896 80.1 74.0 -60.4 -44.8 16.5 14.8 -5.6 28 33 A K H <> S+ 0 0 52 -3,-1.3 4,-2.6 1,-0.3 5,-0.3 0.838 86.7 66.7 -38.0 -44.3 12.8 15.6 -5.8 29 34 A A H S+ 0 0 53 -3,-2.1 4,-2.4 -4,-0.5 3,-0.6 0.965 109.8 44.3 -48.9 -63.0 14.3 15.8 -0.7 31 36 A E H 3X S+ 0 0 108 -4,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.920 114.3 50.4 -46.7 -54.1 11.9 18.7 -1.6 32 37 A L H 3X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.821 108.8 52.0 -56.3 -36.5 8.9 16.5 -1.1 33 38 A T H <>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.6 0.808 108.3 59.5 -60.1 -34.1 5.4 17.1 4.2 37 42 A I H ><5S+ 0 0 6 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.951 104.8 49.8 -60.3 -46.1 7.4 17.8 7.3 38 43 A D T 3<5S+ 0 0 100 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.301 107.0 58.7 -74.6 10.4 6.0 21.3 7.3 39 44 A A T < 5S- 0 0 21 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.361 128.3 -87.8-118.4 0.1 2.5 19.9 6.9 40 45 A G T < 5S+ 0 0 34 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.270 77.7 143.3 112.5 -11.3 2.5 17.8 10.1 41 46 A F < + 0 0 3 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.1 -0.354 11.7 159.3 -65.8 139.9 4.1 14.5 8.8 42 47 A H + 0 0 77 -28,-0.5 33,-3.9 1,-0.1 2,-0.6 0.342 57.4 76.7-136.7 -7.6 6.4 12.7 11.2 43 48 A H E - d 0 75B 2 -29,-0.5 -27,-3.3 31,-0.2 2,-0.5 -0.947 57.7-177.3-113.0 118.9 6.3 9.2 9.7 44 49 A F E -cd 16 76B 0 31,-2.6 33,-2.7 -2,-0.6 2,-0.5 -0.956 11.6-155.9-123.2 117.6 8.3 8.6 6.6 45 50 A D E +cd 17 77B 6 -29,-3.1 -27,-2.2 -2,-0.5 2,-0.3 -0.777 27.4 154.3 -92.2 126.8 8.3 5.3 4.8 46 51 A S - 0 0 0 31,-1.9 2,-0.3 -2,-0.5 3,-0.1 -0.829 23.8-156.5-140.0 179.6 11.3 4.6 2.6 47 52 A A >>> - 0 0 0 -2,-0.3 3,-1.2 31,-0.2 4,-0.6 -0.964 28.3-120.6-162.4 145.3 13.2 1.6 1.3 48 53 A S G >45S+ 0 0 23 31,-1.4 3,-1.6 -2,-0.3 5,-0.2 0.902 110.5 60.7 -55.8 -45.0 16.7 1.0 0.1 49 54 A V G 345S+ 0 0 1 30,-0.3 -1,-0.3 1,-0.3 74,-0.1 0.779 94.9 64.1 -56.8 -27.2 15.6 -0.1 -3.4 50 55 A Y G <45S- 0 0 23 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.805 89.7-147.9 -67.7 -28.4 14.1 3.4 -3.9 51 56 A N T <<5 + 0 0 72 -3,-1.6 -3,-0.1 -4,-0.6 4,-0.1 0.812 69.1 110.0 63.5 29.3 17.5 5.1 -3.7 52 57 A T >< + 0 0 0 -5,-0.5 4,-3.2 2,-0.1 5,-0.2 0.373 45.2 94.0-111.5 -1.9 15.8 8.1 -2.2 53 58 A E H > S+ 0 0 4 -6,-0.3 4,-4.0 2,-0.2 5,-0.4 0.971 79.6 51.8 -58.4 -60.6 17.2 7.7 1.3 54 59 A D H > S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.856 118.5 42.6 -45.8 -35.6 20.3 10.0 1.1 55 60 A H H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.924 114.9 46.9 -77.6 -45.2 17.8 12.6 -0.1 56 61 A V H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.837 113.0 51.3 -65.2 -31.5 15.1 11.8 2.4 57 62 A G H X S+ 0 0 0 -4,-4.0 4,-1.9 -5,-0.2 -1,-0.2 0.780 106.0 54.9 -75.6 -26.2 17.7 11.8 5.1 58 63 A E H X S+ 0 0 72 -4,-0.9 4,-1.9 -5,-0.4 -2,-0.2 0.848 107.8 49.3 -74.0 -35.3 19.0 15.2 3.9 59 64 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.922 112.2 46.6 -69.9 -45.4 15.5 16.7 4.3 60 65 A I H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.942 114.9 46.9 -62.1 -46.5 15.0 15.4 7.8 61 66 A R H X S+ 0 0 68 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.865 110.6 53.0 -62.7 -38.1 18.4 16.5 8.9 62 67 A S H X S+ 0 0 36 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.919 111.0 46.3 -63.3 -42.8 17.9 19.9 7.3 63 68 A K H <>S+ 0 0 22 -4,-2.3 5,-2.7 1,-0.2 6,-1.2 0.663 111.4 52.2 -74.6 -15.8 14.6 20.3 9.2 64 69 A I H ><5S+ 0 0 56 -4,-1.1 3,-1.2 3,-0.2 -1,-0.2 0.819 105.8 55.5 -84.4 -34.3 16.4 19.1 12.4 65 70 A A H 3<5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.857 108.7 45.5 -65.2 -39.7 19.1 21.7 11.9 66 71 A D T 3<5S- 0 0 80 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 0.142 117.1-112.4 -91.9 19.3 16.6 24.6 11.8 67 72 A G T < 5S+ 0 0 67 -3,-1.2 -3,-0.2 2,-0.2 3,-0.1 0.915 79.1 128.3 51.6 51.8 14.7 23.3 14.8 68 73 A T S - 0 0 137 -2,-0.3 3,-2.5 -3,-0.1 -5,-0.0 -0.708 31.3-114.0 -97.3 151.5 13.7 16.8 16.7 71 76 A R G > S+ 0 0 32 1,-0.3 3,-2.4 -2,-0.3 -1,-0.1 0.946 117.0 55.8 -46.7 -58.4 15.1 13.4 15.5 72 77 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.1 3,-0.0 0.519 98.7 65.0 -55.9 -3.3 13.0 11.5 18.1 73 78 A D G < S+ 0 0 60 -3,-2.5 2,-0.4 1,-0.0 -1,-0.3 0.158 90.4 78.7-104.3 16.6 9.9 13.2 16.5 74 79 A I < - 0 0 2 -3,-2.4 2,-0.9 -5,-0.1 -31,-0.2 -0.982 64.1-157.7-128.7 119.9 10.5 11.4 13.2 75 80 A F E -d 43 0B 10 -33,-3.9 -31,-2.6 -2,-0.4 2,-0.5 -0.853 21.4-172.4 -97.6 101.6 9.4 7.8 12.7 76 81 A Y E -d 44 0B 0 -2,-0.9 31,-1.6 -33,-0.2 32,-1.4 -0.848 4.0-163.1-101.5 130.5 11.6 6.7 9.7 77 82 A T E +de 45 108B 0 -33,-2.7 -31,-1.9 -2,-0.5 2,-0.3 -0.906 9.2 177.9-116.0 139.5 11.1 3.3 8.0 78 83 A S E - e 0 109B 0 30,-2.7 32,-2.5 -2,-0.4 2,-0.3 -0.911 12.3-150.4-132.4 159.8 13.4 1.3 5.8 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.4 30,-0.2 2,-0.6 -0.978 18.3-120.8-133.5 147.2 13.1 -2.1 4.1 80 85 A V E - e 0 111B 0 30,-3.0 32,-1.4 -2,-0.3 33,-0.5 -0.781 34.0-128.5 -92.4 120.0 15.7 -4.7 3.0 81 86 A W > - 0 0 3 -2,-0.6 3,-1.6 31,-0.1 36,-0.1 -0.054 23.6-103.0 -62.0 164.3 15.6 -5.5 -0.7 82 87 A C G > S+ 0 0 1 1,-0.3 35,-1.3 41,-0.2 3,-1.0 0.790 116.5 62.4 -57.9 -34.8 15.3 -9.0 -2.2 83 88 A T G 3 S+ 0 0 8 1,-0.2 -1,-0.3 33,-0.2 37,-0.2 0.569 104.7 46.6 -72.3 -9.9 19.0 -9.1 -3.1 84 89 A S G < S+ 0 0 28 -3,-1.6 -1,-0.2 1,-0.1 9,-0.2 -0.053 72.9 111.9-122.9 33.9 20.1 -8.8 0.5 85 90 A L < + 0 0 1 -3,-1.0 -1,-0.1 32,-0.2 60,-0.1 0.490 46.1 107.2 -85.5 -3.8 17.9 -11.4 2.3 86 91 A H S >> S- 0 0 41 -3,-0.2 3,-3.4 1,-0.1 4,-1.5 -0.618 84.3-117.8 -74.5 132.9 20.7 -13.8 3.0 87 92 A P H 3> S+ 0 0 48 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.809 113.8 55.6 -36.0 -45.2 21.4 -13.6 6.8 88 93 A E H 34 S+ 0 0 138 1,-0.2 -3,-0.1 2,-0.1 -2,-0.1 0.327 112.0 42.4 -76.5 8.2 25.0 -12.3 6.1 89 94 A L H X> S+ 0 0 51 -3,-3.4 4,-2.1 -5,-0.2 3,-0.6 0.621 89.5 82.8-122.5 -27.4 23.7 -9.4 4.1 90 95 A V H 3X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.3 -2,-0.1 0.873 98.0 41.6 -46.9 -50.1 20.7 -8.1 6.0 91 96 A R H 3X S+ 0 0 116 -4,-0.6 4,-1.7 1,-0.2 -1,-0.3 0.762 108.4 60.9 -73.5 -24.3 22.8 -6.0 8.4 92 97 A A H <> S+ 0 0 44 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.906 107.1 46.1 -67.6 -39.8 25.0 -4.8 5.6 93 98 A S H X S+ 0 0 11 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.966 109.9 52.6 -64.8 -53.4 22.0 -3.2 3.9 94 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.835 114.3 43.0 -51.4 -39.1 20.7 -1.6 7.1 95 100 A E H X S+ 0 0 92 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.885 109.2 56.9 -75.5 -40.7 24.1 -0.0 7.7 96 101 A R H X S+ 0 0 168 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.937 111.6 45.7 -53.0 -45.8 24.5 1.0 4.1 97 102 A S H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 3,-0.4 0.956 107.6 53.4 -61.4 -56.4 21.2 2.8 4.5 98 103 A L H X>S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 5,-1.8 0.795 107.4 56.8 -49.6 -31.9 22.1 4.5 7.8 99 104 A Q H <5S+ 0 0 147 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.927 108.9 41.7 -67.2 -50.4 25.2 5.8 6.0 100 105 A K H <5S+ 0 0 84 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.885 123.2 40.0 -65.5 -40.4 23.3 7.5 3.3 101 106 A L H <5S- 0 0 0 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.793 101.3-137.6 -78.0 -29.3 20.7 8.9 5.7 102 107 A Q T <5 + 0 0 130 -4,-2.0 2,-0.4 -5,-0.4 -3,-0.2 0.972 51.4 146.7 65.7 54.0 23.4 9.6 8.3 103 108 A F < - 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