==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JUL-07 2QQ5 . COMPND 2 MOLECULE: DEHYDROGENASE/REDUCTASE SDR FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,V.HOZJAN,E.UGOCHUKWU,F.VON DELFT,M.SUNDSTROM, . 238 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 1 0 0 0 0 1 0 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A A > 0 0 96 0, 0.0 3,-2.0 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 131.6 5.4 13.8 39.2 2 4 A P T 3 + 0 0 95 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.724 360.0 35.9 -56.2 -33.1 6.1 17.0 41.2 3 5 A M T > S+ 0 0 0 25,-3.2 3,-2.3 22,-0.1 28,-0.2 0.111 80.3 148.7-113.7 20.9 6.6 19.4 38.3 4 6 A N T < S+ 0 0 125 -3,-2.0 26,-0.2 24,-0.3 3,-0.1 -0.293 73.9 16.3 -49.6 131.3 4.0 17.8 35.9 5 7 A G T 3 S+ 0 0 47 24,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.330 99.3 126.6 82.4 -7.5 2.6 20.5 33.7 6 8 A Q < - 0 0 35 -3,-2.3 25,-3.0 23,-0.1 2,-0.4 -0.500 48.7-146.1 -90.4 155.0 5.4 23.0 34.5 7 9 A V E +a 31 0A 1 23,-0.2 78,-2.5 -2,-0.2 79,-1.8 -0.975 19.1 179.3-124.7 126.8 7.5 24.7 31.9 8 10 A C E -ab 32 86A 0 23,-3.2 25,-3.2 -2,-0.4 2,-0.4 -0.919 18.5-156.5-127.9 153.0 11.2 25.5 32.4 9 11 A V E -ab 33 87A 0 77,-2.1 79,-3.1 -2,-0.3 2,-0.5 -0.999 11.9-173.7-125.2 126.6 14.0 27.2 30.4 10 12 A V E -ab 34 88A 0 23,-3.2 25,-2.1 -2,-0.4 3,-0.4 -0.982 9.3-155.9-123.0 115.8 17.6 26.3 31.3 11 13 A T S S+ 0 0 7 77,-2.4 25,-0.1 -2,-0.5 -2,-0.0 -0.533 76.6 25.0 -86.4 157.9 20.4 28.3 29.5 12 14 A G S > S+ 0 0 11 -2,-0.2 3,-0.6 23,-0.1 6,-0.5 0.878 78.0 149.9 58.2 41.0 23.9 26.9 29.1 13 15 A A T 3 + 0 0 0 22,-1.8 23,-0.1 -3,-0.4 -1,-0.1 0.324 38.1 92.1 -90.2 3.8 22.5 23.4 29.4 14 16 A S T 3 S- 0 0 15 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.712 100.2 -11.2 -72.4 -21.3 25.0 21.5 27.2 15 17 A R S X> S+ 0 0 145 -3,-0.6 4,-1.4 30,-0.0 3,-0.7 -0.965 104.8 14.4-161.7 172.5 27.2 20.6 30.1 16 18 A G H 3> S- 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.132 117.1 -3.8 61.0-140.1 28.1 21.1 33.7 17 19 A I H 3> S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 134.4 52.1 -58.0 -45.2 25.7 22.8 36.1 18 20 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.5 -5,-0.3 0.917 110.7 47.4 -61.6 -44.2 23.1 23.7 33.4 19 21 A R H X S+ 0 0 71 -4,-1.4 4,-2.4 -7,-0.4 -1,-0.2 0.928 110.6 52.4 -60.9 -44.7 22.9 20.1 32.1 20 22 A G H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.915 111.7 46.5 -57.8 -42.9 22.6 18.8 35.7 21 23 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.939 110.2 52.1 -68.0 -46.0 19.6 21.1 36.4 22 24 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.922 109.9 50.8 -53.7 -46.4 17.9 20.3 33.1 23 25 A L H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 111.5 45.5 -61.0 -45.4 18.1 16.6 33.9 24 26 A Q H X S+ 0 0 21 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.879 111.5 53.1 -68.8 -35.5 16.6 17.0 37.5 25 27 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-0.3 0.921 111.6 44.9 -65.7 -42.7 13.8 19.2 36.2 26 28 A C H ><5S+ 0 0 0 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.924 109.9 55.7 -65.6 -40.8 12.9 16.6 33.5 27 29 A K H 3<5S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.860 103.6 55.0 -58.1 -33.3 13.1 13.9 36.2 28 30 A A T 3<5S- 0 0 8 -4,-1.8 -25,-3.2 25,-0.1 -24,-0.3 0.508 127.5-102.8 -78.7 -5.2 10.6 16.0 38.2 29 31 A G T < 5S+ 0 0 13 -3,-1.9 -24,-0.6 -4,-0.3 -3,-0.2 0.468 73.4 139.6 102.2 6.6 8.2 15.8 35.2 30 32 A A < - 0 0 0 -5,-2.1 25,-1.9 -26,-0.2 2,-0.6 -0.306 58.7-116.3 -75.3 160.1 8.7 19.4 33.7 31 33 A T E -ac 7 55A 28 -25,-3.0 -23,-3.2 -28,-0.2 2,-0.5 -0.904 40.4-163.4 -88.2 123.4 8.9 20.4 30.1 32 34 A V E -ac 8 56A 0 23,-2.8 25,-2.8 -2,-0.6 2,-0.5 -0.957 15.5-156.7-120.2 114.2 12.4 21.8 29.9 33 35 A Y E -ac 9 57A 0 -25,-3.2 -23,-3.2 -2,-0.5 2,-0.4 -0.789 18.8-163.9 -80.2 124.9 13.7 24.0 27.1 34 36 A I E -ac 10 58A 0 23,-1.9 25,-2.9 -2,-0.5 2,-0.3 -0.940 3.5-158.2-117.9 136.1 17.5 23.8 27.0 35 37 A T E + c 0 59A 4 -25,-2.1 -22,-1.8 -2,-0.4 -21,-0.4 -0.825 25.9 125.4-122.0 159.8 19.7 26.2 25.1 36 38 A G E - c 0 60A 7 23,-1.0 25,-2.4 -2,-0.3 3,-0.1 -0.942 62.6 -91.8 173.4 176.8 23.1 26.4 23.6 37 39 A R S S+ 0 0 102 -2,-0.3 2,-0.5 23,-0.2 25,-0.1 0.667 104.9 58.6 -84.5 -16.8 24.9 27.3 20.4 38 40 A H > - 0 0 101 1,-0.1 4,-1.9 23,-0.1 3,-0.3 -0.924 59.3-163.7-130.7 112.2 24.9 23.7 19.0 39 41 A L H > S+ 0 0 57 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.864 88.7 58.4 -61.3 -42.3 21.8 21.6 18.4 40 42 A D H > S+ 0 0 110 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.904 108.2 46.4 -55.8 -46.0 23.6 18.2 18.2 41 43 A T H >> S+ 0 0 56 -3,-0.3 4,-1.6 1,-0.2 3,-0.6 0.949 112.2 50.5 -62.2 -49.3 25.1 18.6 21.6 42 44 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.845 104.5 58.8 -58.2 -37.9 21.7 19.7 23.1 43 45 A R H 3X S+ 0 0 144 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.866 102.3 53.0 -63.1 -35.6 20.0 16.7 21.5 44 46 A V H X S+ 0 0 0 -4,-3.4 3,-1.6 1,-0.2 4,-1.3 0.957 111.1 49.0 -58.6 -54.6 16.8 14.2 30.2 50 52 A Q H 3< S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 103.4 63.1 -61.0 -28.9 13.7 12.9 28.6 51 53 A S H 3< S+ 0 0 99 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.818 102.4 49.6 -62.0 -32.3 14.7 9.4 29.6 52 54 A L H << S- 0 0 78 -3,-1.6 2,-0.3 -4,-1.0 -1,-0.2 0.812 127.1 -88.0 -77.3 -32.2 14.4 10.5 33.3 53 55 A G S < S+ 0 0 23 -4,-1.3 -1,-0.3 -25,-0.1 -25,-0.1 -0.929 87.3 56.7 154.0-169.6 10.9 12.0 32.6 54 56 A G S S- 0 0 28 -2,-0.3 2,-0.3 -27,-0.2 -23,-0.2 -0.177 88.5 -69.7 55.1-147.0 9.1 15.1 31.5 55 57 A Q E -c 31 0A 120 -25,-1.9 -23,-2.8 2,-0.0 2,-0.4 -0.979 37.3-152.3-141.3 150.6 10.0 16.5 28.1 56 58 A C E -c 32 0A 10 -2,-0.3 -23,-0.2 -25,-0.2 -6,-0.1 -0.987 5.4-166.8-134.8 125.0 13.1 18.2 26.8 57 59 A V E -c 33 0A 32 -25,-2.8 -23,-1.9 -2,-0.4 2,-0.2 -0.886 11.1-149.6-119.6 99.1 13.2 20.8 24.0 58 60 A P E -c 34 0A 30 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.500 18.3-178.1 -61.0 130.0 16.6 21.8 22.5 59 61 A V E -c 35 0A 10 -25,-2.9 -23,-1.0 -2,-0.2 2,-0.4 -0.982 25.2-132.8-132.5 125.0 16.6 25.3 21.2 60 62 A V E +c 36 0A 69 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.614 41.7 158.6 -74.1 124.0 19.7 26.9 19.5 61 63 A C - 0 0 6 -25,-2.4 2,-0.9 -2,-0.4 -23,-0.1 -0.875 35.1-161.9-154.4 115.0 20.1 30.3 21.1 62 64 A D > - 0 0 37 -2,-0.3 3,-2.4 1,-0.1 6,-0.3 -0.896 17.2-159.5 -90.7 104.5 23.2 32.5 21.3 63 65 A S T 3 S+ 0 0 10 -2,-0.9 64,-0.2 1,-0.3 -1,-0.1 0.484 83.9 74.5 -75.4 -2.2 22.0 34.7 24.2 64 66 A S T 3 S+ 0 0 13 1,-0.1 2,-0.7 63,-0.1 -1,-0.3 0.553 89.0 72.6 -74.0 -14.3 24.6 37.4 23.2 65 67 A Q S X> S- 0 0 87 -3,-2.4 4,-1.4 1,-0.1 3,-0.8 -0.914 72.5-159.9-106.5 107.6 22.1 38.0 20.3 66 68 A E H 3> S+ 0 0 84 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.861 90.7 57.5 -55.1 -38.9 18.9 39.6 21.6 67 69 A S H 3> S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 105.2 51.8 -64.5 -31.8 16.9 38.5 18.5 68 70 A E H <> S+ 0 0 66 -3,-0.8 4,-2.1 -6,-0.3 -1,-0.2 0.855 109.2 49.3 -70.1 -35.6 17.8 34.9 19.3 69 71 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 -7,-0.2 5,-0.3 0.927 110.5 50.5 -69.3 -46.7 16.6 35.3 22.9 70 72 A R H X S+ 0 0 105 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.944 110.7 50.2 -52.5 -46.5 13.3 36.9 21.7 71 73 A S H X S+ 0 0 63 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.876 107.9 53.8 -60.0 -43.2 12.9 33.9 19.3 72 74 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.945 112.6 41.8 -54.9 -54.3 13.5 31.4 22.1 73 75 A F H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.807 109.4 58.2 -74.4 -25.2 10.8 32.9 24.3 74 76 A E H X S+ 0 0 102 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.902 107.0 50.0 -61.5 -41.0 8.4 33.3 21.4 75 77 A Q H X S+ 0 0 36 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.924 110.9 47.8 -63.0 -48.8 8.7 29.6 20.8 76 78 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 6,-0.3 0.932 113.4 48.4 -55.8 -49.2 8.0 28.9 24.5 77 79 A D H X>S+ 0 0 74 -4,-2.5 5,-1.8 2,-0.2 4,-0.6 0.925 115.6 44.4 -57.0 -49.0 5.0 31.2 24.4 78 80 A R H ><5S+ 0 0 156 -4,-2.7 3,-0.7 3,-0.2 -2,-0.2 0.953 119.4 39.8 -61.5 -52.4 3.7 29.6 21.2 79 81 A E H 3<5S+ 0 0 86 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.811 125.4 35.0 -73.5 -32.8 4.2 26.0 22.3 80 82 A Q H ><5S- 0 0 55 -4,-2.8 3,-1.2 -5,-0.3 -1,-0.2 0.189 107.8-113.1-108.1 14.9 3.1 26.4 25.9 81 83 A Q T <<5S- 0 0 171 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.2 0.910 80.3 -48.2 51.2 46.2 0.3 29.0 25.5 82 84 A G T 3 > + 0 0 77 -2,-0.4 3,-2.1 2,-0.0 4,-0.5 0.415 49.8 126.3-103.2 -10.4 29.7 28.2 31.3 93 95 A A T 34 S+ 0 0 38 1,-0.3 28,-0.1 2,-0.1 -2,-0.0 -0.277 78.0 14.1 -45.7 122.8 30.8 30.6 28.5 94 96 A G T 3> S+ 0 0 13 24,-0.0 4,-2.1 26,-0.0 -1,-0.3 0.209 90.7 107.9 92.8 -17.0 34.2 32.0 29.4 95 97 A V H <> S+ 0 0 50 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 0.929 81.7 51.4 -62.9 -42.2 35.2 29.5 32.2 96 98 A Q H X S+ 0 0 110 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.925 108.4 52.4 -60.9 -39.6 37.7 27.8 29.9 97 99 A T H > S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 106.9 52.8 -60.4 -41.8 39.2 31.3 29.1 98 100 A I H < S+ 0 0 17 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.961 111.2 47.4 -55.9 -50.6 39.5 31.9 32.8 99 101 A L H >< S+ 0 0 50 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.918 110.4 51.0 -56.6 -49.4 41.4 28.7 33.2 100 102 A N H 3< S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 112.4 45.6 -64.0 -27.2 43.7 29.4 30.2 101 103 A T T >< S+ 0 0 29 -4,-1.6 3,-1.9 -3,-0.5 -1,-0.3 0.110 79.4 157.3-105.5 19.7 44.7 32.8 31.5 102 104 A R T < S+ 0 0 62 -3,-1.5 3,-0.1 1,-0.3 56,-0.1 -0.133 70.9 10.2 -47.4 136.8 45.3 31.7 35.1 103 105 A N T 3 S+ 0 0 165 54,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.732 96.2 123.0 60.1 26.3 47.7 34.1 36.9 104 106 A K < - 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