==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-NOV-04 1Y1P . COMPND 2 MOLECULE: ALDEHYDE REDUCTASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: SPORIDIOBOLUS SALMONICOLOR; . AUTHOR S.KAMITORI,K.KITA . 684 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 50 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 3 0 0 0 0 7 2 2 2 2 1 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 7 5 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 . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 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 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 A 0 0 78 0, 0.0 5,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0-144.4 24.2 -25.7 -9.6 2 3 A K + 0 0 133 1,-0.1 2,-0.9 32,-0.1 320,-0.0 0.970 360.0 70.1 -52.3 -58.7 23.7 -25.4 -13.4 3 4 A I S > S- 0 0 18 31,-0.1 3,-0.9 318,-0.1 2,-0.2 -0.498 76.2-157.9 -69.7 100.8 23.5 -21.6 -13.2 4 5 A D T 3 S+ 0 0 124 -2,-0.9 3,-0.1 1,-0.2 -2,-0.1 -0.530 75.5 12.4 -79.1 145.4 27.0 -20.3 -12.4 5 6 A N T 3 S- 0 0 142 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.766 86.2-179.6 60.2 27.2 27.2 -16.8 -10.9 6 7 A A < - 0 0 30 -3,-0.9 256,-0.2 1,-0.2 -1,-0.2 -0.313 29.7-139.2 -58.0 139.1 23.5 -16.9 -10.2 7 8 A V S S+ 0 0 50 254,-3.0 -1,-0.2 -3,-0.1 254,-0.1 0.757 92.2 58.1 -73.8 -24.3 22.3 -13.6 -8.6 8 9 A L S S- 0 0 1 253,-0.2 3,-0.1 4,-0.1 4,-0.1 -0.940 97.3-116.2-108.6 123.0 20.0 -15.6 -6.3 9 10 A P > - 0 0 90 0, 0.0 3,-2.1 0, 0.0 76,-0.1 -0.079 44.1 -77.5 -54.2 154.6 21.7 -18.2 -4.2 10 11 A E T 3 S+ 0 0 149 1,-0.3 26,-0.1 -4,-0.1 25,-0.1 -0.249 119.1 15.7 -54.7 135.7 20.9 -21.9 -4.6 11 12 A G T 3 S+ 0 0 30 23,-0.3 -1,-0.3 1,-0.2 26,-0.2 0.502 88.7 160.1 77.4 4.2 17.6 -22.9 -3.0 12 13 A S < - 0 0 19 -3,-2.1 25,-2.0 24,-0.1 2,-0.4 -0.158 43.4-110.3 -57.4 153.0 16.5 -19.2 -2.7 13 14 A L E -a 37 0A 32 70,-0.4 72,-2.9 23,-0.2 73,-1.4 -0.737 31.6-167.6 -90.5 131.5 12.7 -18.6 -2.3 14 15 A V E -ab 38 86A 0 23,-2.5 25,-2.0 -2,-0.4 2,-0.5 -0.977 13.8-142.0-121.1 130.6 10.9 -17.0 -5.2 15 16 A L E -ab 39 87A 2 71,-2.7 73,-3.0 -2,-0.4 2,-0.5 -0.799 17.8-170.7 -90.3 128.1 7.4 -15.5 -4.9 16 17 A V E > -ab 40 88A 0 23,-2.2 25,-2.5 -2,-0.5 3,-0.7 -0.972 12.2-145.3-122.3 116.2 5.3 -16.2 -8.0 17 18 A T E 3 S+ b 0 89A 0 71,-2.4 73,-0.6 -2,-0.5 74,-0.4 -0.615 80.9 13.7 -84.5 139.0 1.9 -14.4 -8.2 18 19 A G T > S+ 0 0 13 -2,-0.3 3,-2.0 72,-0.2 6,-0.3 0.912 74.4 171.0 66.8 42.3 -1.0 -16.2 -9.8 19 20 A A T < + 0 0 0 22,-2.1 23,-0.2 -3,-0.7 9,-0.1 0.601 67.6 66.1 -60.6 -15.6 0.8 -19.5 -9.7 20 21 A N T 3 S+ 0 0 40 21,-0.6 -1,-0.3 4,-0.1 194,-0.1 0.560 83.3 101.8 -83.8 -8.2 -2.3 -21.4 -10.8 21 22 A G S <> S- 0 0 27 -3,-2.0 4,-2.3 1,-0.1 5,-0.1 -0.237 84.2-112.2 -71.9 164.7 -2.2 -19.7 -14.2 22 23 A F H > S+ 0 0 10 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.983 114.2 35.7 -62.2 -62.1 -0.9 -21.3 -17.4 23 24 A V H >> S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.932 118.3 53.5 -59.4 -45.6 2.3 -19.3 -17.9 24 25 A A H 3> S+ 0 0 2 -6,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.894 102.5 57.0 -57.0 -42.9 2.9 -19.0 -14.2 25 26 A S H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.825 108.1 48.3 -60.5 -29.7 2.8 -22.7 -13.7 26 27 A H H S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 3,-0.3 0.941 112.4 45.7 -67.0 -45.2 12.2 -22.7 -10.9 32 33 A L H ><5S+ 0 0 6 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.896 108.5 56.9 -63.5 -39.9 11.6 -25.9 -9.0 33 34 A E H 3<5S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 106.6 51.1 -60.6 -31.8 13.5 -27.9 -11.6 34 35 A H T 3<5S- 0 0 23 -4,-1.3 -1,-0.3 -3,-0.3 -23,-0.3 0.202 124.8 -99.7 -92.9 15.2 16.5 -25.6 -11.0 35 36 A G T < 5S+ 0 0 31 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.517 76.9 134.9 84.4 5.8 16.5 -26.1 -7.2 36 37 A Y < - 0 0 8 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.608 52.5-126.0 -89.1 148.5 14.7 -22.9 -6.2 37 38 A K E -a 13 0A 93 -25,-2.0 -23,-2.5 -2,-0.2 2,-0.4 -0.706 27.3-156.4 -90.0 146.5 11.9 -22.9 -3.6 38 39 A V E -ac 14 63A 2 24,-2.6 26,-2.5 -2,-0.3 2,-0.6 -0.979 20.8-167.1-131.6 137.9 8.6 -21.3 -4.6 39 40 A R E -ac 15 64A 45 -25,-2.0 -23,-2.2 -2,-0.4 2,-0.5 -0.986 24.9-164.9-116.9 111.0 5.7 -19.8 -2.8 40 41 A G E -ac 16 65A 0 24,-2.4 26,-2.5 -2,-0.6 2,-0.2 -0.876 5.9-143.9-106.1 133.4 3.0 -19.4 -5.3 41 42 A T E + c 0 66A 6 -25,-2.5 -22,-2.1 -2,-0.5 -21,-0.6 -0.601 22.1 166.5 -95.3 154.0 -0.1 -17.2 -4.8 42 43 A A E - c 0 67A 2 24,-1.4 26,-2.4 -2,-0.2 3,-0.1 -0.961 48.9-109.9-156.0 155.7 -3.7 -17.9 -6.0 43 44 A R S S+ 0 0 163 -2,-0.3 2,-0.3 24,-0.2 24,-0.1 0.639 106.8 15.3 -68.3 -10.5 -7.0 -16.3 -5.1 44 45 A S S > S- 0 0 30 22,-0.1 4,-0.5 24,-0.1 3,-0.1 -0.979 71.5-126.9-156.7 151.2 -7.8 -19.6 -3.3 45 46 A A H >> S+ 0 0 52 -2,-0.3 3,-1.1 1,-0.2 4,-0.6 0.856 109.9 62.0 -69.1 -32.3 -5.9 -22.6 -2.1 46 47 A S H >4 S+ 0 0 84 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.875 93.7 62.2 -60.8 -37.3 -8.3 -24.8 -4.0 47 48 A K H 34 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 4,-0.2 0.766 112.0 38.2 -60.5 -24.3 -7.3 -23.2 -7.3 48 49 A L H S+ 0 0 43 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.913 117.7 46.4 -67.5 -41.2 -4.0 -30.0 -8.2 51 52 A L H > S+ 0 0 1 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.876 109.5 55.1 -68.0 -36.8 -0.8 -28.2 -9.1 52 53 A Q H X S+ 0 0 34 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.936 108.8 48.5 -60.1 -45.4 0.3 -28.4 -5.4 53 54 A K H X S+ 0 0 136 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.894 111.2 50.5 -61.5 -41.2 -0.2 -32.2 -5.6 54 55 A R H X S+ 0 0 80 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.946 114.7 42.5 -62.0 -49.2 1.8 -32.4 -8.9 55 56 A W H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 7,-0.3 0.784 108.9 57.9 -70.8 -27.6 4.7 -30.4 -7.5 56 57 A D H < S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.859 111.9 43.1 -69.3 -33.9 4.7 -32.2 -4.1 57 58 A A H < S+ 0 0 84 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.884 124.5 33.5 -77.8 -40.8 5.2 -35.5 -6.0 58 59 A K H < S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.844 135.6 22.7 -84.8 -36.6 7.8 -34.2 -8.5 59 60 A Y S >X S- 0 0 23 -4,-2.8 3,-2.1 -5,-0.2 4,-0.6 -0.631 86.5-147.0-132.7 73.2 9.5 -31.7 -6.2 60 61 A P T 34 S- 0 0 94 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.133 77.5 -8.8 -45.8 120.7 8.9 -32.8 -2.6 61 62 A G T 34 S+ 0 0 61 2,-0.2 -5,-0.1 1,-0.1 3,-0.1 0.664 105.9 105.1 63.9 21.6 8.6 -29.8 -0.2 62 63 A R T <4 + 0 0 78 -3,-2.1 -24,-2.6 -7,-0.3 2,-0.4 0.715 69.2 58.2-101.6 -26.6 9.8 -27.2 -2.8 63 64 A F E < -c 38 0A 7 -4,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.889 61.0-170.7-110.6 138.7 6.5 -25.5 -3.6 64 65 A E E -c 39 0A 106 -26,-2.5 -24,-2.4 -2,-0.4 2,-0.3 -0.990 19.6-131.9-129.9 128.9 4.2 -23.8 -1.1 65 66 A T E -c 40 0A 36 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.590 24.1-172.5 -77.8 137.7 0.6 -22.5 -1.8 66 67 A A E -c 41 0A 8 -26,-2.5 -24,-1.4 -2,-0.3 2,-0.5 -1.000 16.9-135.0-133.1 131.1 -0.0 -19.0 -0.6 67 68 A V E +c 42 0A 70 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.772 29.5 163.5 -94.7 125.2 -3.5 -17.4 -0.6 68 69 A V + 0 0 10 -26,-2.4 3,-0.2 -2,-0.5 -24,-0.1 -0.845 6.5 177.5-136.8 93.3 -3.9 -13.8 -1.9 69 70 A E S S+ 0 0 136 -2,-0.3 2,-0.4 1,-0.2 -26,-0.1 0.790 75.8 34.2 -70.2 -29.6 -7.6 -13.2 -2.6 70 71 A D > - 0 0 69 1,-0.1 3,-0.9 6,-0.1 -1,-0.2 -0.901 60.4-172.2-132.3 103.4 -7.2 -9.6 -3.6 71 72 A M T 3 S+ 0 0 39 -2,-0.4 42,-0.1 1,-0.2 -1,-0.1 0.540 89.6 54.0 -72.3 -4.8 -4.0 -8.6 -5.5 72 73 A L T 3 S+ 0 0 62 2,-0.1 -1,-0.2 41,-0.1 3,-0.1 0.598 82.3 114.0-100.8 -16.4 -4.9 -5.0 -5.2 73 74 A K S X S- 0 0 106 -3,-0.9 3,-2.0 1,-0.1 2,-0.2 -0.269 77.9-105.7 -61.0 137.3 -5.4 -5.0 -1.4 74 75 A Q T 3 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.459 107.0 11.6 -64.6 126.1 -3.0 -2.9 0.6 75 76 A G T > S+ 0 0 20 -2,-0.2 3,-1.6 38,-0.1 4,-0.4 0.520 82.7 141.3 83.3 6.2 -0.6 -5.2 2.4 76 77 A A T < S+ 0 0 19 -3,-2.0 4,-0.3 1,-0.3 3,-0.2 0.787 76.5 36.0 -50.2 -33.8 -1.7 -8.2 0.3 77 78 A Y T 3> S+ 0 0 6 -4,-0.2 4,-2.4 36,-0.2 5,-0.3 0.394 81.7 108.9-104.0 2.3 1.9 -9.5 0.1 78 79 A D T <4 S+ 0 0 33 -3,-1.6 4,-0.2 1,-0.2 -1,-0.1 0.870 91.7 29.4 -45.9 -46.3 3.2 -8.6 3.5 79 80 A E T >4 S+ 0 0 117 -4,-0.4 3,-0.9 -3,-0.2 -1,-0.2 0.914 119.7 49.7 -84.4 -45.3 3.2 -12.2 4.7 80 81 A V T 34 S+ 0 0 18 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.754 107.8 54.0 -68.6 -24.3 3.8 -14.2 1.5 81 82 A I T >< S+ 0 0 5 -4,-2.4 3,-2.3 2,-0.1 -1,-0.2 0.599 77.3 124.8 -85.7 -10.6 6.8 -12.1 0.4 82 83 A K T < S+ 0 0 89 -3,-0.9 3,-0.1 -5,-0.3 -3,-0.0 -0.280 84.7 2.0 -55.7 120.2 8.7 -12.6 3.7 83 84 A G T 3 S+ 0 0 51 1,-0.3 -70,-0.4 -2,-0.1 -1,-0.3 0.301 92.7 144.7 86.6 -9.1 12.1 -14.0 3.0 84 85 A A < - 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0 0 6 -4,-2.4 3,-1.4 -5,-0.3 -256,-0.1 -0.635 55.0-151.4 -80.2 125.2 21.4 -14.3 -14.6 263 264 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -257,-0.1 0.801 91.7 60.4 -62.7 -30.2 23.8 -11.4 -13.8 264 265 A Q T 3 S+ 0 0 92 1,-0.1 2,-0.6 52,-0.0 -2,-0.1 0.407 89.4 82.1 -80.9 4.2 24.1 -10.2 -17.4 265 266 A I < + 0 0 0 -3,-1.4 2,-0.4 -7,-0.2 -1,-0.1 -0.896 54.6 146.9-115.7 104.3 20.3 -9.5 -17.7 266 267 A E - 0 0 110 -2,-0.6 -65,-0.2 1,-0.1 -7,-0.0 -0.997 65.6 -4.0-140.7 133.7 19.2 -6.1 -16.2 267 268 A R S S+ 0 0 135 -67,-1.5 2,-0.3 -2,-0.4 -66,-0.2 0.900 92.9 148.2 53.9 46.1 16.5 -3.7 -17.2 268 269 A R - 0 0 52 -68,-0.3 -66,-2.8 -9,-0.1 2,-0.6 -0.775 50.1-145.4-112.4 154.7 15.6 -5.8 -20.2 269 270 A R E -f 202 0A 8 -2,-0.3 2,-0.7 -68,-0.2 -66,-0.2 -0.966 27.0-157.6-116.4 105.6 12.4 -6.4 -22.1 270 271 A V E -f 203 0A 0 -68,-3.3 -66,-3.4 -2,-0.6 2,-0.3 -0.804 4.8-143.5 -96.5 108.1 12.8 -10.0 -23.2 271 272 A Y E -f 204 0A 0 -2,-0.7 2,-1.1 39,-0.5 43,-0.1 -0.511 3.7-154.2 -73.3 127.9 10.6 -11.0 -26.2 272 273 A G E +f 205 0A 0 -68,-3.0 -66,-1.8 -2,-0.3 2,-0.4 -0.701 48.3 133.0-101.0 77.4 9.2 -14.5 -26.1 273 274 A T + 0 0 3 -2,-1.1 -26,-0.2 -68,-0.2 36,-0.1 -0.845 20.4 164.1-134.7 95.0 8.9 -14.8 -29.9 274 275 A A - 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