==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JUN-09 3I1J . COMPND 2 MOLECULE: OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTA . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; . AUTHOR A.U.SINGER,E.EVDOKIMOVA,M.KUDRITSKA,A.M.EDWARDS,A.JOACHIMIAK . 489 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 12.5 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 . 30 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 0 1 1 1 0 0 2 2 2 1 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 5 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 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 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 0 A G 0 0 92 0, 0.0 3,-0.1 0, 0.0 244,-0.1 0.000 360.0 360.0 360.0 163.5 -6.9 6.7 15.7 2 1 A X - 0 0 88 245,-0.2 245,-0.3 1,-0.1 244,-0.1 -0.297 360.0 -95.1 -55.7 126.4 -8.5 3.7 17.4 3 2 A F - 0 0 49 243,-2.4 2,-1.2 1,-0.1 -1,-0.1 -0.188 40.1-121.6 -47.7 135.4 -12.2 4.5 17.8 4 3 A D + 0 0 157 -3,-0.1 2,-0.3 222,-0.1 -1,-0.1 -0.666 64.9 110.6 -93.2 90.1 -12.7 5.8 21.3 5 4 A Y - 0 0 35 -2,-1.2 2,-0.5 2,-0.0 224,-0.1 -0.920 43.6-159.2-160.9 129.9 -15.2 3.6 23.2 6 5 A S - 0 0 111 -2,-0.3 2,-0.5 223,-0.1 -2,-0.0 -0.966 18.1-145.9-115.2 129.5 -15.0 1.2 26.1 7 6 A A - 0 0 23 -2,-0.5 -2,-0.0 2,-0.0 223,-0.0 -0.848 10.7-132.4-102.4 122.1 -17.7 -1.4 26.3 8 7 A H > - 0 0 114 -2,-0.5 3,-2.4 1,-0.1 4,-0.2 -0.373 33.4-106.0 -66.2 146.8 -18.9 -2.6 29.8 9 8 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.611 119.9 38.7 -58.8 -18.7 -19.2 -6.4 30.0 10 9 A E T > S+ 0 0 114 1,-0.1 3,-2.0 28,-0.1 27,-0.1 0.135 78.4 121.8-112.9 16.5 -23.1 -6.4 29.9 11 10 A L T < S+ 0 0 23 -3,-2.4 27,-0.1 1,-0.3 -1,-0.1 0.860 81.7 37.4 -42.0 -47.1 -23.4 -3.5 27.3 12 11 A L T > S+ 0 0 0 25,-2.4 3,-1.8 -4,-0.2 -1,-0.3 0.232 80.9 139.5-100.1 12.9 -25.3 -5.7 24.9 13 12 A K T < S+ 0 0 145 -3,-2.0 26,-0.2 24,-0.4 3,-0.1 -0.280 71.8 26.6 -54.1 137.5 -27.5 -7.7 27.4 14 13 A G T 3 S+ 0 0 52 24,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.459 99.5 116.8 89.1 0.4 -31.0 -8.1 26.0 15 14 A R < - 0 0 29 -3,-1.8 25,-2.8 23,-0.2 2,-0.5 -0.838 51.6-154.5-113.6 140.6 -29.9 -7.8 22.4 16 15 A V E -a 40 0A 4 -2,-0.4 80,-2.5 23,-0.2 81,-1.7 -0.972 23.2-175.3-107.6 119.0 -30.1 -10.3 19.4 17 16 A I E -ab 41 97A 0 23,-2.8 25,-2.5 -2,-0.5 2,-0.5 -0.972 15.6-153.2-125.0 126.6 -27.4 -9.6 16.8 18 17 A L E -ab 42 98A 0 79,-2.6 81,-2.8 -2,-0.4 2,-0.5 -0.862 11.7-167.4 -99.5 129.4 -26.8 -11.3 13.5 19 18 A V E -ab 43 99A 0 23,-2.7 25,-2.3 -2,-0.5 3,-0.5 -0.971 6.7-152.5-117.3 124.2 -23.3 -11.2 12.1 20 19 A T S S+ 0 0 4 79,-2.4 81,-0.2 -2,-0.5 25,-0.2 -0.652 82.1 26.1 -94.4 155.6 -22.5 -12.2 8.4 21 20 A G S > S+ 0 0 23 23,-0.5 3,-0.6 -2,-0.2 6,-0.4 0.858 79.9 154.6 59.0 40.1 -19.1 -13.7 7.4 22 21 A A T 3 + 0 0 0 22,-2.3 23,-0.1 -3,-0.5 -1,-0.1 0.491 43.1 84.3 -76.1 -7.9 -18.9 -14.9 11.1 23 22 A A T 3 S- 0 0 17 21,-0.3 2,-0.3 1,-0.1 31,-0.2 0.861 101.0 -10.7 -74.0 -30.9 -16.6 -17.9 10.4 24 23 A R S X> S+ 0 0 174 -3,-0.6 4,-1.4 29,-0.1 3,-0.7 -0.901 103.0 17.2-153.2 176.2 -13.3 -16.0 10.6 25 24 A G H 3> S- 0 0 24 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.196 120.5 -8.2 59.2-140.3 -11.5 -12.7 10.6 26 25 A I H 3> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.870 136.6 55.2 -60.6 -41.7 -13.4 -9.5 11.6 27 26 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.4 -5,-0.2 0.926 109.8 45.2 -56.7 -48.6 -16.8 -11.4 11.5 28 27 A A H X S+ 0 0 2 -4,-1.4 4,-2.7 -7,-0.3 -2,-0.2 0.895 113.4 50.6 -62.4 -43.4 -15.5 -14.0 14.0 29 28 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.886 112.6 46.3 -60.4 -44.0 -14.0 -11.3 16.2 30 29 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.935 112.3 50.2 -67.0 -45.7 -17.3 -9.3 16.2 31 30 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.944 114.2 44.9 -55.4 -49.7 -19.4 -12.4 16.9 32 31 A R H X S+ 0 0 76 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.904 115.2 48.0 -62.7 -42.8 -17.1 -13.3 19.8 33 32 A A H X S+ 0 0 14 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.913 111.3 49.6 -65.9 -41.7 -17.1 -9.7 21.2 34 33 A Y H ><>S+ 0 0 0 -4,-3.2 5,-2.4 1,-0.2 3,-0.9 0.960 112.9 46.4 -64.3 -45.6 -20.9 -9.3 20.9 35 34 A A H ><5S+ 0 0 3 -4,-2.4 3,-1.7 -5,-0.3 -1,-0.2 0.912 110.6 54.1 -60.4 -40.5 -21.4 -12.6 22.8 36 35 A A H 3<5S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.668 106.4 52.5 -67.8 -20.2 -18.8 -11.6 25.4 37 36 A H T <<5S- 0 0 36 -4,-1.1 -25,-2.4 -3,-0.9 -24,-0.4 0.221 131.7 -90.8-103.3 14.6 -20.7 -8.3 26.0 38 37 A G T < 5S+ 0 0 38 -3,-1.7 -24,-0.6 1,-0.3 -3,-0.2 0.351 78.3 138.8 104.6 -0.5 -24.0 -10.2 26.6 39 38 A A < - 0 0 3 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.377 54.7-126.0 -78.8 151.3 -25.6 -10.5 23.2 40 39 A S E -a 16 0A 58 -25,-2.8 -23,-2.8 -28,-0.2 2,-0.3 -0.893 39.2-150.8 -85.0 121.7 -27.4 -13.5 21.7 41 40 A V E -a 17 0A 5 -2,-0.6 26,-1.9 -25,-0.2 2,-0.5 -0.767 17.6-156.6-104.7 141.4 -25.6 -13.9 18.4 42 41 A V E -ac 18 67A 0 -25,-2.5 -23,-2.7 -2,-0.3 2,-0.6 -0.983 19.5-150.9-110.9 120.9 -26.8 -15.4 15.1 43 42 A L E -ac 19 68A 0 24,-3.4 26,-3.2 -2,-0.5 2,-0.5 -0.844 12.1-171.0 -99.2 122.8 -23.9 -16.6 13.1 44 43 A L E + c 0 69A 3 -25,-2.3 -22,-2.3 -2,-0.6 -23,-0.5 -0.943 24.5 127.5-114.7 132.3 -24.2 -16.6 9.3 45 44 A G E - c 0 70A 8 24,-1.9 26,-2.1 -2,-0.5 3,-0.1 -0.908 64.9 -85.6-164.3-170.8 -21.6 -18.2 7.0 46 45 A R S S+ 0 0 125 -2,-0.3 2,-0.3 24,-0.2 -1,-0.1 0.898 98.9 11.5 -80.0 -42.1 -21.2 -20.6 4.2 47 46 A T > - 0 0 66 23,-0.1 4,-1.0 1,-0.1 -1,-0.2 -0.938 64.5-120.3-138.5 156.7 -21.1 -24.0 6.0 48 47 A E H >> S+ 0 0 145 -2,-0.3 3,-0.8 1,-0.2 4,-0.8 0.917 114.2 54.5 -60.8 -43.6 -21.6 -25.5 9.4 49 48 A A H >4 S+ 0 0 87 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.842 104.6 54.3 -62.1 -33.5 -18.0 -26.7 9.6 50 49 A S H 34 S+ 0 0 28 1,-0.2 4,-0.3 -3,-0.2 -1,-0.3 0.759 112.0 44.2 -70.7 -26.4 -16.8 -23.2 9.0 51 50 A L H S+ 0 0 131 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.956 113.1 42.4 -62.7 -53.5 -14.9 -22.9 15.9 54 53 A V H > S+ 0 0 1 -4,-0.3 4,-2.5 -31,-0.2 -2,-0.2 0.932 116.6 49.2 -61.3 -44.5 -16.5 -19.5 16.6 55 54 A S H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.914 112.4 48.6 -56.8 -45.5 -19.7 -21.3 18.0 56 55 A D H X S+ 0 0 91 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.915 109.8 51.7 -62.3 -45.6 -17.6 -23.5 20.2 57 56 A Q H X S+ 0 0 66 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.942 112.2 46.2 -58.7 -49.3 -15.6 -20.5 21.5 58 57 A I H <>S+ 0 0 5 -4,-2.5 5,-2.1 1,-0.2 4,-0.4 0.913 113.6 47.8 -59.2 -48.7 -18.8 -18.6 22.4 59 58 A K H ><5S+ 0 0 90 -4,-2.7 3,-0.5 3,-0.2 -1,-0.2 0.898 113.7 48.3 -56.1 -41.7 -20.4 -21.7 24.1 60 59 A S H 3<5S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.799 101.5 59.1 -76.0 -35.1 -17.2 -22.4 26.1 61 60 A A T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.607 125.4-110.4 -66.8 -13.8 -16.7 -18.8 27.3 62 61 A G T < 5S+ 0 0 60 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.2 0.748 86.1 118.7 100.8 35.8 -20.1 -19.6 28.7 63 62 A Q S > - 0 0 39 -2,-0.3 4,-2.5 1,-0.1 3,-1.0 -0.901 14.8-164.4-103.3 103.4 -24.5 -19.1 -0.2 73 72 A L T 34 S+ 0 0 27 -2,-0.7 -1,-0.1 1,-0.3 56,-0.1 0.749 83.5 59.9 -65.5 -24.2 -24.4 -15.3 -1.0 74 73 A E T 34 S+ 0 0 68 1,-0.1 -1,-0.3 55,-0.0 51,-0.0 0.766 125.3 14.3 -75.4 -24.6 -23.6 -15.9 -4.7 75 74 A N T <4 S+ 0 0 102 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.468 86.3 124.2-132.2 0.9 -26.8 -17.8 -5.3 76 75 A A < - 0 0 4 -4,-2.5 2,-0.2 4,-0.1 -5,-0.0 -0.342 42.5-164.4 -57.6 138.5 -29.2 -17.3 -2.4 77 76 A T > - 0 0 73 55,-0.0 4,-2.0 52,-0.0 3,-0.4 -0.598 41.8 -79.8-114.6-179.0 -32.6 -16.0 -3.7 78 77 A A H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.805 128.5 63.2 -53.8 -29.9 -35.5 -14.3 -1.8 79 78 A Q H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.972 106.4 42.7 -59.6 -51.3 -36.6 -17.8 -0.8 80 79 A Q H > S+ 0 0 72 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.902 116.5 47.3 -57.3 -46.7 -33.4 -18.3 1.2 81 80 A Y H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.901 112.6 49.7 -66.8 -40.8 -33.5 -14.7 2.7 82 81 A R H X S+ 0 0 154 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.920 111.9 48.2 -59.4 -44.9 -37.2 -15.1 3.6 83 82 A E H X S+ 0 0 109 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.921 109.5 52.6 -67.0 -40.7 -36.5 -18.5 5.3 84 83 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.953 110.9 47.4 -53.8 -52.1 -33.5 -17.0 7.3 85 84 A A H X S+ 0 0 10 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.888 109.5 53.7 -56.3 -43.4 -35.7 -14.2 8.5 86 85 A A H X S+ 0 0 32 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.891 107.9 50.5 -61.1 -41.0 -38.5 -16.6 9.5 87 86 A R H X S+ 0 0 104 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.933 112.2 46.2 -63.8 -45.5 -36.0 -18.7 11.6 88 87 A V H X>S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.8 0.942 113.8 49.5 -59.4 -46.9 -34.8 -15.6 13.4 89 88 A E H X5S+ 0 0 114 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.906 109.5 51.6 -60.6 -42.4 -38.5 -14.5 13.9 90 89 A H H <5S+ 0 0 151 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.921 118.2 37.2 -60.4 -43.0 -39.5 -17.9 15.3 91 90 A E H <5S+ 0 0 136 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.898 138.0 8.8 -80.3 -39.0 -36.6 -17.9 17.8 92 91 A F H <5S- 0 0 52 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.658 76.5-137.0-120.8 -27.8 -36.4 -14.3 18.9 93 92 A G S <> - 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