==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-NOV-11 3UN1 . COMPND 2 MOLECULE: PROBABLE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR R.AGARWAL,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 946 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 15.5 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 . 60 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.3 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 4 0 0 1 0 1 4 3 4 0 4 1 3 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 4 11 5 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 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 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 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 -4 A F > 0 0 172 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -48.7 12.4 30.5 -24.6 2 -3 A Q H > + 0 0 61 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.902 360.0 50.5 -59.0 -40.6 9.9 33.1 -23.5 3 -2 A S H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 110.2 50.3 -62.3 -37.3 7.4 31.0 -25.7 4 -1 A X H 4 S+ 0 0 123 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.878 108.8 50.9 -62.6 -47.3 8.6 27.9 -23.9 5 0 A X H < S+ 0 0 96 -4,-2.3 3,-0.5 2,-0.2 -2,-0.2 0.868 110.3 50.1 -65.2 -38.4 8.0 29.6 -20.5 6 1 A R H >< S+ 0 0 133 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.954 107.7 50.9 -59.7 -56.3 4.4 30.6 -21.6 7 2 A N T 3< S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.515 115.9 47.3 -63.5 -5.6 3.4 27.1 -22.8 8 3 A Q T 3 S+ 0 0 59 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.3 -0.620 82.5 137.5-133.2 70.0 4.7 25.8 -19.3 9 4 A Q < - 0 0 25 -3,-0.5 25,-0.1 66,-0.1 68,-0.1 -0.741 62.0 -84.1-111.4 160.9 3.1 28.3 -16.8 10 5 A K - 0 0 89 23,-0.4 25,-3.3 -2,-0.3 2,-0.4 -0.298 44.0-140.8 -63.9 151.3 1.5 27.5 -13.5 11 6 A V E -a 35 0A 0 23,-0.2 68,-2.6 -3,-0.1 69,-1.9 -0.976 16.1-171.0-122.6 128.5 -2.1 26.4 -13.7 12 7 A V E -ab 36 80A 0 23,-2.4 25,-3.0 -2,-0.4 2,-0.5 -0.966 14.9-149.5-117.4 137.5 -4.9 27.4 -11.2 13 8 A V E -ab 37 81A 0 67,-2.7 69,-2.7 -2,-0.4 2,-0.5 -0.916 18.7-168.5 -92.9 125.0 -8.4 26.0 -11.0 14 9 A I E -ab 38 82A 0 23,-2.2 25,-2.7 -2,-0.5 3,-0.4 -0.976 5.0-155.4-116.2 119.5 -10.7 28.8 -9.7 15 10 A T S S+ 0 0 3 67,-2.5 25,-0.2 -2,-0.5 23,-0.0 -0.493 76.9 26.2 -91.1 167.4 -14.2 27.8 -8.6 16 11 A G S S+ 0 0 26 23,-0.2 3,-0.4 -2,-0.2 6,-0.4 0.917 80.2 155.8 44.2 52.8 -17.2 30.2 -8.5 17 12 A A + 0 0 4 22,-2.5 23,-0.2 -3,-0.4 9,-0.1 0.477 36.1 89.0 -89.8 -8.5 -15.3 32.2 -11.2 18 13 A S S S- 0 0 55 21,-0.2 2,-0.2 4,-0.1 -1,-0.2 0.790 95.7 -11.4 -60.5 -38.1 -18.2 34.1 -13.0 19 14 A Q S >> S+ 0 0 118 -3,-0.4 4,-1.5 167,-0.0 3,-1.0 -0.841 104.0 16.5-153.7-176.9 -18.4 37.4 -11.0 20 15 A G H 3> S- 0 0 21 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 -0.018 122.9 -0.7 44.0-134.1 -17.3 39.2 -7.9 21 16 A I H 3> S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.848 134.7 52.1 -51.3 -45.3 -14.3 37.8 -6.0 22 17 A G H X> S+ 0 0 0 -3,-1.0 4,-2.5 -6,-0.4 3,-0.5 0.964 107.0 49.4 -65.3 -51.4 -13.9 34.8 -8.4 23 18 A A H 3X S+ 0 0 14 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.840 111.4 53.8 -56.3 -30.1 -13.7 36.8 -11.6 24 19 A G H 3X S+ 0 0 6 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.825 105.4 51.4 -71.2 -34.8 -11.2 39.1 -9.8 25 20 A L H <>S+ 0 0 0 -4,-3.7 5,-2.3 1,-0.2 3,-0.8 0.910 109.6 52.0 -62.4 -39.5 -3.9 35.1 -11.7 30 25 A R H ><5S+ 0 0 47 -4,-2.6 3,-2.1 -5,-0.3 -1,-0.2 0.899 103.8 59.3 -58.1 -38.6 -3.6 36.0 -15.4 31 26 A D H 3<5S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.664 106.2 47.1 -66.4 -22.3 -1.6 39.2 -14.4 32 27 A R T <<5S- 0 0 120 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.019 125.3-105.3-104.1 18.8 1.0 37.0 -12.7 33 28 A N T < 5 + 0 0 100 -3,-2.1 -23,-0.4 1,-0.2 2,-0.3 0.874 69.6 144.0 64.3 38.6 1.1 34.8 -15.7 34 29 A Y < - 0 0 5 -5,-2.3 2,-0.3 -25,-0.1 -23,-0.2 -0.754 48.7-126.4 -89.3 156.3 -0.8 31.7 -14.5 35 30 A R E -a 11 0A 12 -25,-3.3 -23,-2.4 -2,-0.3 2,-0.4 -0.750 32.7-144.8 -92.9 156.1 -3.0 29.8 -16.9 36 31 A V E -ac 12 51A 0 14,-2.3 16,-3.0 -2,-0.3 2,-0.8 -0.984 26.0-162.2-137.9 127.0 -6.5 29.4 -15.5 37 32 A V E -ac 13 52A 0 -25,-3.0 -23,-2.2 -2,-0.4 2,-0.5 -0.920 28.1-166.3 -99.9 103.4 -9.3 26.8 -15.5 38 33 A A E -ac 14 53A 1 14,-2.5 16,-1.8 -2,-0.8 2,-0.4 -0.814 5.8-172.9 -94.6 124.9 -12.3 29.0 -14.4 39 34 A T E + c 0 54A 2 -25,-2.7 -22,-2.5 -2,-0.5 2,-0.3 -0.959 15.6 145.7-120.1 149.4 -15.5 27.1 -13.3 40 35 A S E - c 0 55A 18 14,-1.1 16,-1.8 -2,-0.4 3,-0.4 -0.931 61.0 -94.2-162.6 164.7 -19.0 28.3 -12.5 41 36 A R S S+ 0 0 160 -2,-0.3 16,-0.1 14,-0.2 -1,-0.1 0.871 122.4 5.8 -55.3 -35.8 -22.6 27.0 -12.9 42 37 A S S S+ 0 0 96 13,-0.1 -1,-0.2 14,-0.1 13,-0.1 -0.009 80.5 160.9-147.0 42.1 -22.8 29.0 -16.1 43 38 A I - 0 0 25 -3,-0.4 -3,-0.1 11,-0.2 12,-0.1 -0.368 35.0-132.9 -65.5 133.6 -19.5 30.6 -17.1 44 39 A K - 0 0 73 1,-0.1 10,-0.1 -26,-0.1 -1,-0.1 -0.662 34.4 -92.3 -84.5 149.1 -19.3 31.6 -20.8 45 40 A P - 0 0 113 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.177 45.6-121.1 -60.8 155.5 -16.1 30.6 -22.7 46 41 A S - 0 0 54 5,-0.4 7,-0.1 2,-0.2 5,-0.1 -0.621 7.6-140.1-100.4 156.7 -13.3 33.2 -22.8 47 42 A A S S+ 0 0 107 -2,-0.2 -1,-0.1 3,-0.0 3,-0.0 0.631 83.9 91.9 -84.0 -14.6 -11.6 34.9 -25.7 48 43 A D S > S- 0 0 50 1,-0.1 3,-1.9 2,-0.0 -2,-0.2 -0.688 70.9-149.7 -77.7 117.3 -8.2 34.6 -23.8 49 44 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.795 95.0 61.8 -64.3 -21.2 -6.6 31.3 -24.9 50 45 A D T 3 S+ 0 0 32 -15,-0.1 -14,-2.3 1,-0.1 2,-0.5 0.250 92.4 74.7 -88.7 15.7 -4.9 31.0 -21.4 51 46 A I E < -c 36 0A 29 -3,-1.9 2,-0.5 -16,-0.2 -5,-0.4 -0.983 64.6-165.9-118.8 111.9 -8.4 30.8 -19.7 52 47 A H E -c 37 0A 40 -16,-3.0 -14,-2.5 -2,-0.5 2,-0.3 -0.906 11.0-151.6 -95.0 130.7 -10.2 27.5 -20.0 53 48 A T E -c 38 0A 23 -2,-0.5 2,-0.4 -16,-0.2 -14,-0.2 -0.813 14.1-177.5 -99.1 136.1 -13.9 27.7 -19.0 54 49 A V E -c 39 0A 3 -16,-1.8 -14,-1.1 -2,-0.3 2,-0.4 -0.952 11.4-155.9-139.3 117.4 -15.9 24.7 -17.6 55 50 A A E +c 40 0A 41 -2,-0.4 2,-0.3 -16,-0.2 -14,-0.2 -0.756 39.0 112.4 -94.9 137.9 -19.6 25.1 -16.8 56 51 A G S S- 0 0 14 -16,-1.8 2,-0.8 -2,-0.4 -13,-0.1 -0.911 71.2 -77.2 173.2 164.4 -21.1 22.7 -14.3 57 52 A D > - 0 0 34 -2,-0.3 3,-2.0 1,-0.1 6,-0.4 -0.747 37.0-156.6 -79.8 108.1 -22.6 22.0 -10.9 58 53 A I T 3 S+ 0 0 19 -2,-0.8 57,-0.3 1,-0.3 56,-0.2 0.672 87.2 68.8 -63.0 -18.7 -19.5 22.1 -8.5 59 54 A S T 3 S+ 0 0 21 55,-0.1 -1,-0.3 54,-0.1 54,-0.0 0.583 84.8 86.3 -77.7 -8.2 -21.4 20.0 -6.0 60 55 A K S X> S- 0 0 109 -3,-2.0 3,-1.4 1,-0.1 4,-1.4 -0.831 74.7-138.6 -99.4 130.1 -21.3 16.9 -8.4 61 56 A P H 3> S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.782 103.8 62.0 -43.7 -36.5 -18.3 14.4 -8.5 62 57 A E H 3> S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.797 100.7 50.8 -70.2 -29.0 -18.6 14.4 -12.2 63 58 A T H <> S+ 0 0 3 -3,-1.4 4,-2.8 -6,-0.4 -1,-0.2 0.893 106.8 53.3 -74.7 -44.0 -17.9 18.1 -12.6 64 59 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.923 109.8 50.1 -53.5 -46.5 -14.8 17.8 -10.5 65 60 A D H X S+ 0 0 57 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.932 112.2 46.8 -55.6 -53.9 -13.6 15.0 -12.8 66 61 A R H X S+ 0 0 53 -4,-2.0 4,-3.1 1,-0.2 5,-0.5 0.870 107.5 55.8 -55.7 -44.7 -14.3 17.1 -15.9 67 62 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.956 115.4 38.0 -59.9 -47.2 -12.6 20.2 -14.5 68 63 A V H X S+ 0 0 12 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.949 116.0 52.2 -71.7 -45.8 -9.3 18.3 -13.9 69 64 A R H X S+ 0 0 135 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.959 116.1 39.4 -49.8 -58.1 -9.6 16.2 -17.1 70 65 A E H X S+ 0 0 59 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.863 113.7 57.7 -70.5 -30.2 -10.1 19.2 -19.3 71 66 A G H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.5 5,-0.4 0.967 111.7 39.4 -56.0 -58.4 -7.5 21.1 -17.3 72 67 A I H X S+ 0 0 55 -4,-3.2 4,-2.8 3,-0.2 -2,-0.2 0.912 114.5 54.7 -54.5 -50.3 -4.8 18.5 -17.9 73 68 A E H < S+ 0 0 123 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.909 118.2 34.5 -54.1 -44.9 -5.9 18.0 -21.6 74 69 A R H < S+ 0 0 89 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.896 138.0 13.7 -84.6 -39.7 -5.6 21.8 -22.3 75 70 A F H < S- 0 0 13 -4,-3.0 2,-0.5 -5,-0.3 -3,-0.2 0.457 84.8-134.4-118.3 -3.1 -2.6 22.8 -20.1 76 71 A G S < S+ 0 0 55 -4,-2.8 2,-0.3 -5,-0.4 -4,-0.2 0.122 77.7 54.2 71.9 -26.1 -0.9 19.5 -19.0 77 72 A R - 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