==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-09 3IXR . COMPND 2 MOLECULE: BACTERIOFERRITIN COMIGRATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR B.B.HORTA,M.A.OLIVEIRA,K.F.DISCOLA,J.R.R.CUSSIOL,L.E.S.NETTO . 159 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 16.4 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 . 2 1.3 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 . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 2 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 -2 A G 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.6 20.5 -22.5 -14.0 2 -1 A S - 0 0 25 2,-0.0 106,-0.1 1,-0.0 107,-0.1 -0.808 360.0-133.6-131.2 158.3 19.0 -19.6 -16.0 3 0 A H S S+ 0 0 108 -2,-0.3 2,-0.5 1,-0.1 105,-0.1 0.311 90.5 65.7 -99.7 11.1 20.0 -17.2 -18.8 4 1 A M S S+ 0 0 16 103,-0.3 2,-0.3 104,-0.1 -1,-0.1 -0.945 71.9 163.4-127.8 114.8 18.8 -13.9 -17.4 5 2 A N > - 0 0 75 -2,-0.5 3,-2.5 1,-0.1 130,-0.3 -0.831 46.2 -73.8-132.3 161.8 20.9 -13.1 -14.3 6 3 A I T 3 S+ 0 0 97 -2,-0.3 130,-0.2 1,-0.3 3,-0.1 -0.332 119.4 28.8 -58.9 134.7 21.8 -10.2 -12.0 7 4 A G T 3 S+ 0 0 47 128,-2.7 -1,-0.3 1,-0.4 129,-0.1 0.051 90.2 125.4 98.5 -18.1 24.2 -7.9 -13.8 8 5 A D < - 0 0 61 -3,-2.5 127,-2.6 126,-0.1 2,-0.4 -0.293 54.4-136.5 -73.2 153.0 22.9 -8.7 -17.3 9 6 A T B -A 134 0A 87 125,-0.2 125,-0.2 -3,-0.1 2,-0.2 -0.925 20.4-116.6-108.5 131.5 21.7 -5.8 -19.5 10 7 A L - 0 0 6 123,-2.7 -6,-0.0 -2,-0.4 2,-0.0 -0.536 38.9-124.9 -64.9 133.1 18.5 -6.1 -21.6 11 8 A N > - 0 0 100 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.164 19.7-102.4 -82.9 171.2 19.4 -6.0 -25.3 12 9 A H H > S+ 0 0 146 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.900 119.7 53.4 -62.2 -40.6 18.0 -3.7 -27.9 13 10 A S H > S+ 0 0 94 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.959 114.6 41.1 -61.4 -48.5 15.7 -6.3 -29.4 14 11 A L H >4 S+ 0 0 12 1,-0.2 3,-0.9 2,-0.2 15,-0.5 0.907 112.0 55.7 -63.2 -44.6 14.1 -7.0 -26.0 15 12 A L H 3< S+ 0 0 21 -4,-2.9 15,-2.3 1,-0.2 16,-0.2 0.786 114.6 40.3 -59.1 -26.9 14.0 -3.3 -25.0 16 13 A N H 3< S+ 0 0 74 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.346 83.0 123.4-107.0 2.0 12.0 -2.5 -28.1 17 14 A H << - 0 0 33 -3,-0.9 12,-0.4 -4,-0.6 2,-0.2 -0.490 69.5-114.8 -59.6 126.0 9.7 -5.4 -28.1 18 15 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.465 27.7-152.7 -71.5 127.6 6.1 -4.2 -28.1 19 16 A L E -B 27 0B 3 8,-3.2 8,-1.3 -2,-0.2 2,-0.6 -0.893 5.0-145.9-101.1 125.9 4.2 -5.2 -24.9 20 17 A M E -BC 26 97B 98 77,-0.6 77,-3.4 -2,-0.5 2,-0.3 -0.870 29.6-170.3 -89.4 122.5 0.4 -5.6 -25.1 21 18 A L E >> -BC 25 96B 2 4,-2.7 3,-1.2 -2,-0.6 4,-0.8 -0.711 30.6 -82.3-111.7 162.2 -1.0 -4.4 -21.7 22 19 A S G >4 S+ 0 0 15 73,-2.3 3,-0.8 -2,-0.3 -1,-0.2 -0.126 116.0 43.0 -52.5 149.6 -4.2 -4.5 -19.9 23 20 A G G 34 S- 0 0 51 56,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.587 127.9 -84.7 85.9 0.6 -6.4 -1.6 -21.1 24 21 A S G <4 S+ 0 0 101 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.764 94.2 136.0 63.7 30.8 -5.5 -2.3 -24.7 25 22 A T E << -B 21 0B 73 -3,-0.8 -4,-2.7 -4,-0.8 2,-0.3 -0.386 41.2-148.3 -97.4 171.9 -2.4 -0.2 -24.2 26 23 A C E +B 20 0B 101 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.994 19.6 161.7-146.8 153.7 1.2 -0.8 -25.2 27 24 A K E -B 19 0B 81 -8,-1.3 -8,-3.2 -2,-0.3 2,-0.3 -0.915 26.0-134.3-148.8 172.2 4.6 -0.0 -24.0 28 25 A T > - 0 0 25 -2,-0.3 3,-1.8 -10,-0.2 4,-0.2 -0.937 31.4-113.7-130.5 157.9 8.2 -1.3 -24.5 29 26 A L G > S+ 0 0 3 -15,-0.5 3,-2.2 -12,-0.4 -14,-0.2 0.848 115.4 69.5 -58.3 -31.4 10.7 -1.9 -21.7 30 27 A S G > S+ 0 0 33 -15,-2.3 3,-1.8 1,-0.3 -1,-0.3 0.790 81.8 74.6 -57.8 -22.7 12.7 1.0 -23.0 31 28 A D G < S+ 0 0 74 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.690 89.2 61.8 -61.5 -13.7 9.8 3.3 -21.8 32 29 A Y G X S+ 0 0 18 -3,-2.2 3,-2.0 -4,-0.2 -1,-0.3 0.301 71.8 139.5-101.8 15.9 11.2 2.6 -18.3 33 30 A T T < S+ 0 0 59 -3,-1.8 99,-0.2 1,-0.3 3,-0.1 -0.205 71.8 17.8 -50.4 143.2 14.6 4.2 -18.9 34 31 A N T 3 S+ 0 0 114 97,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.589 115.2 82.4 67.2 11.3 15.8 6.3 -16.0 35 32 A Q S < S- 0 0 72 -3,-2.0 2,-0.4 96,-0.2 -1,-0.2 -0.910 83.3-108.0-133.7 164.1 13.3 4.6 -13.6 36 33 A W E -d 69 0B 55 32,-2.8 34,-1.8 -2,-0.3 2,-0.4 -0.765 32.7-158.7 -87.0 141.3 13.3 1.3 -11.6 37 34 A L E -dE 70 129B 4 92,-2.7 92,-3.2 -2,-0.4 2,-0.7 -0.982 12.8-156.9-124.2 128.7 11.0 -1.4 -12.9 38 35 A V E -dE 71 128B 0 32,-2.9 34,-2.8 -2,-0.4 2,-0.7 -0.935 15.0-171.5 -96.7 112.6 9.7 -4.4 -10.9 39 36 A L E -dE 72 127B 0 88,-2.6 88,-2.5 -2,-0.7 2,-0.5 -0.919 6.8-173.6-109.6 105.9 8.7 -7.0 -13.6 40 37 A Y E -dE 73 126B 0 32,-2.7 34,-2.3 -2,-0.7 2,-0.4 -0.926 9.4-156.8-110.1 124.7 6.9 -9.8 -11.8 41 38 A F E +dE 74 125B 0 84,-3.8 84,-1.4 -2,-0.5 34,-0.2 -0.844 13.3 179.5 -97.4 136.2 5.9 -13.0 -13.6 42 39 A Y - 0 0 0 32,-2.6 3,-0.1 -2,-0.4 80,-0.1 -0.940 32.5-119.1-135.4 153.0 3.0 -15.2 -12.3 43 40 A P S S- 0 0 47 0, 0.0 33,-0.4 0, 0.0 2,-0.3 0.909 80.8 -11.7 -59.7 -48.1 1.5 -18.4 -13.7 44 41 A K > - 0 0 33 31,-0.1 3,-0.5 32,-0.1 6,-0.2 -0.995 69.2 -99.7-160.6 138.9 -2.1 -17.6 -14.5 45 42 A D T 3 S+ 0 0 11 -2,-0.3 37,-0.1 1,-0.2 6,-0.1 -0.295 98.0 21.4 -53.1 148.7 -4.7 -14.9 -13.9 46 43 A N T 3 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.1 3,-0.0 0.827 83.6 130.7 61.8 38.7 -7.3 -15.4 -11.2 47 44 A T S <> S- 0 0 45 -3,-0.5 4,-2.8 1,-0.1 5,-0.3 -0.839 70.3-111.8-110.2 160.6 -5.7 -17.9 -9.0 48 45 A P H > S+ 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.911 118.1 46.7 -57.4 -41.3 -5.4 -17.5 -5.2 49 46 A G H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.905 115.5 43.3 -65.6 -43.9 -1.6 -17.0 -5.5 50 47 A S H > S+ 0 0 1 2,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.865 114.2 48.9 -79.4 -28.4 -1.6 -14.5 -8.4 51 48 A S H X S+ 0 0 18 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.955 113.3 48.2 -73.9 -36.9 -4.5 -12.5 -7.0 52 49 A T H X S+ 0 0 55 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.947 112.4 49.3 -59.5 -50.2 -2.7 -12.3 -3.6 53 50 A E H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.930 112.3 48.0 -55.9 -45.9 0.6 -11.4 -5.3 54 51 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.874 111.4 50.2 -57.3 -46.8 -1.2 -8.6 -7.3 55 52 A L H X S+ 0 0 72 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.896 107.7 52.8 -63.4 -35.2 -2.9 -7.3 -4.3 56 53 A E H X S+ 0 0 58 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.898 113.4 43.4 -69.1 -40.8 0.3 -7.1 -2.3 57 54 A F H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 3,-0.3 0.900 111.3 55.4 -64.6 -37.0 2.0 -5.2 -5.0 58 55 A N H >< S+ 0 0 31 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.912 105.5 51.6 -65.7 -44.4 -1.1 -3.0 -5.4 59 56 A L H 3< S+ 0 0 136 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.819 116.4 41.1 -54.4 -37.5 -1.1 -2.0 -1.7 60 57 A L H >X S+ 0 0 16 -4,-1.0 4,-2.1 -3,-0.3 3,-0.8 0.410 82.7 105.2 -92.2 -9.7 2.6 -1.0 -1.9 61 58 A L H S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.892 108.5 52.6 -62.5 -33.1 2.5 4.3 -3.8 63 60 A Q H <4 S+ 0 0 73 -3,-0.8 4,-0.4 1,-0.2 -2,-0.2 0.886 110.2 46.8 -69.0 -39.9 5.6 3.4 -1.9 64 61 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 3,-1.5 0.920 111.7 50.9 -60.6 -48.6 7.3 2.1 -5.0 65 62 A E H ><5S+ 0 0 108 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.844 99.9 65.5 -62.7 -27.7 6.3 5.3 -7.0 66 63 A Q T 3<5S+ 0 0 151 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.657 106.1 42.1 -68.0 -20.1 7.7 7.4 -4.3 67 64 A I T < 5S- 0 0 54 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 -0.073 126.7 -94.4-120.6 33.4 11.3 6.1 -5.0 68 65 A N T < 5S+ 0 0 85 -3,-1.6 -32,-2.8 1,-0.2 2,-0.3 0.863 87.0 120.9 70.4 37.9 10.9 6.2 -8.8 69 66 A A E < -d 36 0B 3 -5,-2.0 2,-0.3 -34,-0.2 -1,-0.2 -0.942 36.2-174.4-128.3 152.8 9.9 2.6 -9.3 70 67 A T E -d 37 0B 24 -34,-1.8 -32,-2.9 -2,-0.3 2,-0.4 -0.934 17.4-123.6-142.2 175.2 6.9 1.1 -10.8 71 68 A V E -d 38 0B 0 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.925 17.5-178.7-124.3 139.4 5.4 -2.4 -11.2 72 69 A L E -d 39 0B 0 -34,-2.8 -32,-2.7 -2,-0.4 2,-0.3 -0.989 14.5-153.2-132.7 128.2 4.4 -4.5 -14.1 73 70 A G E -df 40 95B 0 21,-1.8 23,-3.7 -2,-0.4 2,-0.4 -0.680 13.9-160.2 -94.2 157.9 2.9 -8.0 -13.8 74 71 A V E +df 41 96B 0 -34,-2.3 -32,-2.6 -2,-0.3 2,-0.3 -0.995 24.0 142.4-140.6 129.4 3.2 -10.6 -16.6 75 72 A S E - f 0 97B 0 21,-1.7 23,-2.6 -2,-0.4 -31,-0.1 -0.899 55.6-108.5-146.8 177.8 1.5 -13.9 -17.7 76 73 A R S S+ 0 0 98 -33,-0.4 21,-0.1 -2,-0.3 -32,-0.1 0.337 77.7 121.0 -90.6 8.8 0.7 -15.3 -21.0 77 74 A D - 0 0 47 19,-0.2 -2,-0.2 1,-0.1 22,-0.1 -0.209 69.4 -92.7 -70.2 159.0 -3.1 -14.7 -20.5 78 75 A S > - 0 0 58 1,-0.1 4,-2.6 19,-0.1 5,-0.2 -0.157 26.3-111.2 -66.3 162.5 -5.0 -12.5 -22.9 79 76 A V H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 -56,-0.3 0.898 120.8 53.9 -54.4 -42.6 -5.7 -8.8 -22.6 80 77 A K H > S+ 0 0 155 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.952 109.2 47.2 -59.3 -44.9 -9.4 -9.7 -22.1 81 78 A S H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 112.4 50.4 -60.7 -49.8 -8.5 -12.0 -19.2 82 79 A H H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.890 108.1 52.4 -55.6 -41.5 -6.2 -9.3 -17.7 83 80 A D H X S+ 0 0 55 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.916 110.4 47.4 -65.7 -39.0 -8.8 -6.7 -17.9 84 81 A S H X S+ 0 0 75 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.911 115.2 46.7 -65.5 -35.6 -11.3 -8.9 -16.0 85 82 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 6,-0.3 0.930 112.3 49.1 -74.3 -47.7 -8.7 -9.7 -13.4 86 83 A C H X>S+ 0 0 18 -4,-3.1 4,-1.4 1,-0.2 5,-1.3 0.908 115.0 45.5 -52.6 -46.4 -7.6 -6.0 -13.0 87 84 A A H <5S+ 0 0 80 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.938 112.3 48.8 -66.8 -47.8 -11.2 -5.0 -12.6 88 85 A K H <5S+ 0 0 155 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.890 122.8 33.6 -58.4 -44.9 -12.2 -7.7 -10.2 89 86 A Q H <5S- 0 0 41 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.570 104.7-124.4 -86.7 -16.1 -9.2 -7.1 -8.0 90 87 A G T <5 - 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