==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME BINDING PROTEIN 06-JAN-09 3FPW . COMPND 2 MOLECULE: EXTRACELLULAR HAEM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RETICULI; . AUTHOR D.ORTIZ DE ORUE LUCANA,G.BOGEL,P.ZOU,M.R.GROVES . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 15.7 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 15 A P 0 0 152 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.4 12.6 -25.7 57.2 2 16 A V - 0 0 143 1,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.526 360.0-130.9 -64.5 145.4 12.4 -28.9 55.5 3 17 A A - 0 0 86 -2,-0.2 2,-0.1 2,-0.0 -1,-0.0 -0.934 18.1-137.6-104.8 123.5 15.5 -29.5 53.5 4 18 A A - 0 0 50 -2,-0.6 2,-0.2 2,-0.1 5,-0.0 -0.401 19.2-146.0 -81.2 157.6 14.9 -30.5 49.9 5 19 A R - 0 0 197 -2,-0.1 2,-0.1 4,-0.0 -2,-0.0 -0.805 27.0 -76.8-172.3 124.0 17.0 -33.3 48.2 6 20 A G S > S+ 0 0 33 -2,-0.2 3,-1.7 1,-0.1 -2,-0.1 -0.777 108.1 48.5-164.5 -38.9 18.0 -33.8 45.6 7 21 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.535 113.5 66.5 -63.7 -8.5 16.3 -35.0 42.4 8 22 A E T 3 S+ 0 0 142 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.394 94.3 73.9 -89.9 -0.7 14.0 -32.3 43.7 9 23 A L < + 0 0 98 -3,-1.7 2,-0.3 -5,-0.0 -3,-0.0 -0.850 53.3 179.8-119.4 150.7 16.7 -29.6 43.0 10 24 A T - 0 0 137 -2,-0.3 2,-0.3 2,-0.0 -3,-0.0 -0.955 19.1-131.2-141.7 160.8 18.1 -27.9 40.0 11 25 A Q - 0 0 181 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.854 13.2-165.7-112.5 149.1 20.8 -25.3 39.4 12 26 A S - 0 0 86 -2,-0.3 2,-0.3 103,-0.0 103,-0.1 -0.928 17.7-127.3-126.2 163.5 20.8 -22.1 37.4 13 27 A T + 0 0 83 -2,-0.3 2,-0.3 97,-0.1 97,-0.1 -0.834 28.2 174.8-113.2 142.3 23.8 -19.9 36.3 14 28 A H - 0 0 77 -2,-0.3 2,-0.2 30,-0.1 102,-0.1 -0.968 36.4-102.4-139.8 154.4 24.2 -16.1 36.9 15 29 A L - 0 0 30 100,-0.3 2,-0.1 -2,-0.3 95,-0.0 -0.563 46.2-117.8 -64.4 140.5 26.5 -13.2 36.4 16 30 A T > - 0 0 84 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.444 24.3-110.3 -69.2 156.0 28.1 -12.3 39.8 17 31 A L H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 121.8 57.3 -51.7 -43.0 27.3 -8.8 41.0 18 32 A E H > S+ 0 0 162 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 110.0 42.6 -54.3 -47.1 31.0 -8.1 40.3 19 33 A A H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 114.0 50.2 -69.2 -43.5 30.6 -9.1 36.6 20 34 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.898 112.4 48.2 -61.7 -39.2 27.3 -7.3 36.2 21 35 A T H X S+ 0 0 46 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.922 109.4 52.0 -65.3 -44.3 28.7 -4.2 37.7 22 36 A K H X S+ 0 0 110 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.915 112.7 46.1 -58.0 -44.6 31.9 -4.3 35.5 23 37 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.916 112.7 48.7 -66.4 -45.5 29.7 -4.6 32.4 24 38 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.944 111.9 49.4 -59.9 -46.5 27.3 -1.8 33.4 25 39 A R H X S+ 0 0 142 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.874 108.2 54.1 -61.8 -37.4 30.2 0.5 34.1 26 40 A A H X S+ 0 0 14 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.868 107.2 50.8 -66.2 -35.8 31.8 -0.3 30.8 27 41 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.939 111.8 47.0 -67.7 -44.8 28.7 0.6 28.9 28 42 A V H X S+ 0 0 16 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.944 111.9 51.2 -59.8 -46.4 28.5 3.9 30.8 29 43 A E H X S+ 0 0 96 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.891 108.2 51.8 -60.4 -38.8 32.2 4.6 30.1 30 44 A A H X S+ 0 0 18 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.919 112.7 45.1 -65.0 -43.3 31.7 3.9 26.4 31 45 A A H ><>S+ 0 0 1 -4,-2.2 5,-2.9 1,-0.2 3,-0.7 0.929 111.7 52.4 -62.9 -43.3 28.8 6.4 26.3 32 46 A E H ><5S+ 0 0 104 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.859 102.0 59.7 -62.4 -35.5 30.8 8.9 28.3 33 47 A K H 3<5S+ 0 0 177 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.827 109.7 44.4 -59.2 -33.7 33.7 8.7 25.9 34 48 A D T <<5S- 0 0 75 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.344 120.5-108.0 -93.7 3.5 31.4 9.8 23.1 35 49 A G T < 5S+ 0 0 49 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.782 73.1 141.7 72.8 25.7 29.8 12.6 25.2 36 50 A R < - 0 0 76 -5,-2.9 2,-0.5 -6,-0.1 -1,-0.3 -0.688 45.4-143.4 -99.0 156.6 26.5 10.6 25.5 37 51 A H + 0 0 101 85,-0.4 22,-0.5 -2,-0.3 2,-0.3 -0.953 35.3 157.6-124.9 107.5 24.3 10.5 28.7 38 52 A V - 0 0 3 -2,-0.5 17,-1.9 20,-0.2 2,-0.4 -0.832 38.6-133.3-131.9 160.1 22.7 7.1 29.3 39 53 A S E -AB 54 121A 0 82,-2.4 82,-2.1 -2,-0.3 2,-0.4 -0.899 26.2-159.8-105.9 152.6 21.2 4.9 31.9 40 54 A V E -AB 53 120A 2 13,-2.6 13,-2.3 -2,-0.4 2,-0.4 -0.984 8.8-175.0-135.0 137.9 22.3 1.3 32.0 41 55 A A E -AB 52 119A 1 78,-2.5 78,-2.9 -2,-0.4 2,-0.5 -0.996 13.6-157.5-130.6 145.1 20.6 -1.8 33.5 42 56 A V E -AB 51 118A 0 9,-2.7 8,-3.1 -2,-0.4 9,-1.6 -0.987 18.2-171.8-118.0 124.5 21.7 -5.4 33.9 43 57 A V E -AB 49 117A 2 74,-2.6 74,-2.5 -2,-0.5 6,-0.2 -0.949 18.2-127.4-119.8 130.6 18.8 -7.8 34.3 44 58 A D E > - B 0 116A 5 4,-3.3 3,-1.9 -2,-0.4 72,-0.3 -0.352 26.9-110.9 -69.7 157.1 19.1 -11.5 35.2 45 59 A R T 3 S+ 0 0 127 70,-2.1 71,-0.1 1,-0.3 -1,-0.1 0.756 119.3 65.9 -57.8 -23.7 17.4 -14.2 33.1 46 60 A N T 3 S- 0 0 92 69,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.619 122.3-109.4 -89.0 -2.3 15.2 -14.7 36.2 47 61 A G S < S+ 0 0 26 -3,-1.9 2,-0.3 1,-0.4 -2,-0.1 0.247 76.0 131.7 118.7 1.4 13.9 -11.3 35.4 48 62 A N - 0 0 102 -5,-0.1 -4,-3.3 1,-0.1 -1,-0.4 -0.605 60.0-120.6 -80.4 136.4 15.5 -9.5 38.5 49 63 A T E +A 43 0A 58 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.616 30.6 178.6 -72.2 129.2 17.4 -6.2 38.0 50 64 A L E + 0 0 56 -8,-3.1 2,-0.3 -2,-0.4 -7,-0.2 0.774 64.1 9.9 -99.4 -38.1 21.0 -6.8 39.2 51 65 A V E -A 42 0A 14 -9,-1.6 -9,-2.7 -31,-0.1 -1,-0.4 -0.997 56.1-178.5-144.9 137.7 22.5 -3.3 38.5 52 66 A T E -A 41 0A 43 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.996 2.5-177.2-131.9 145.5 21.3 0.1 37.4 53 67 A L E -A 40 0A 54 -13,-2.3 -13,-2.6 -2,-0.4 2,-0.8 -0.983 13.8-153.1-139.1 122.4 23.4 3.2 36.8 54 68 A R E -A 39 0A 138 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.864 22.6-134.8 -99.1 108.5 21.9 6.5 35.9 55 69 A G > - 0 0 11 -17,-1.9 3,-2.2 -2,-0.8 2,-0.1 -0.189 30.4 -91.7 -57.3 147.2 24.3 8.6 33.8 56 70 A D T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -17,-0.0 -18,-0.1 -0.413 114.2 7.9 -57.0 126.5 24.9 12.2 34.6 57 71 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -2,-0.1 -20,-0.1 0.485 90.6 152.8 81.0 2.6 22.5 14.2 32.5 58 72 A A < - 0 0 16 -3,-2.2 -1,-0.2 -20,-0.2 -20,-0.2 -0.407 53.2 -99.8 -68.2 141.4 20.6 11.1 31.2 59 73 A G > - 0 0 24 -22,-0.5 3,-1.5 63,-0.2 4,-0.4 -0.199 27.7-118.4 -60.6 153.8 17.0 11.8 30.3 60 74 A P T 3 S+ 0 0 115 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.721 113.0 57.4 -71.8 -18.2 14.4 10.8 32.8 61 75 A Q T 3> S+ 0 0 112 1,-0.2 4,-1.5 2,-0.1 5,-0.1 0.623 90.8 76.5 -79.6 -15.0 12.8 8.3 30.5 62 76 A S H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.787 81.7 63.1 -72.5 -25.3 16.1 6.4 30.1 63 77 A Y H > S+ 0 0 65 -4,-0.4 4,-2.0 -3,-0.4 -1,-0.2 0.974 111.8 33.3 -69.7 -53.8 16.2 4.6 33.4 64 78 A E H > S+ 0 0 126 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.854 116.3 58.9 -67.6 -35.0 13.1 2.4 33.0 65 79 A S H X S+ 0 0 21 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.933 106.7 47.1 -58.6 -46.5 13.8 2.2 29.2 66 80 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -25,-0.2 0.932 112.1 50.5 -62.9 -43.7 17.2 0.6 30.0 67 81 A E H X S+ 0 0 53 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.924 112.1 46.0 -59.2 -47.4 15.6 -1.8 32.5 68 82 A R H X S+ 0 0 109 -4,-2.7 4,-2.1 1,-0.2 32,-0.5 0.873 110.5 52.9 -68.0 -38.1 12.9 -3.0 30.1 69 83 A K H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.912 110.1 48.5 -60.4 -45.2 15.3 -3.4 27.2 70 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.912 111.6 49.3 -59.4 -45.8 17.6 -5.6 29.3 71 85 A F H X S+ 0 0 61 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.891 112.4 49.3 -59.2 -39.9 14.6 -7.7 30.4 72 86 A T H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.932 109.7 49.8 -70.8 -43.7 13.5 -8.1 26.8 73 87 A A H X>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 4,-1.1 0.896 113.7 44.8 -60.2 -42.6 16.9 -9.1 25.5 74 88 A V H <5S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 108.0 59.3 -76.0 -26.7 17.4 -11.8 28.2 75 89 A S H <5S+ 0 0 43 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.870 121.7 23.2 -66.7 -39.1 13.8 -13.1 27.7 76 90 A W H <5S- 0 0 75 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.395 100.4-126.2-108.1 1.8 14.3 -13.9 24.1 77 91 A N T <5S+ 0 0 62 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.927 75.7 104.5 51.8 49.8 18.1 -14.3 24.1 78 92 A A S > - 0 0 44 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.366 35.8-127.2 -63.0 143.1 19.4 -8.1 20.8 80 94 A T H 3> S+ 0 0 0 25,-2.5 4,-2.2 1,-0.3 23,-0.3 0.787 107.3 66.5 -70.8 -22.1 16.3 -5.8 21.0 81 95 A S H 3> S+ 0 0 23 24,-0.4 4,-0.7 21,-0.2 -1,-0.3 0.907 108.0 39.8 -58.0 -41.4 17.2 -4.3 17.7 82 96 A E H X> S+ 0 0 113 -3,-0.7 3,-1.0 1,-0.2 4,-0.8 0.920 111.8 55.9 -75.4 -41.0 16.5 -7.7 16.1 83 97 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 4,-0.5 0.847 99.8 61.2 -57.6 -35.4 13.4 -8.4 18.3 84 98 A A H >< S+ 0 0 33 -4,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.854 99.1 56.8 -60.4 -33.5 11.9 -5.1 17.2 85 99 A K H X< S+ 0 0 146 -3,-1.0 3,-1.4 -4,-0.7 4,-0.3 0.742 93.3 68.0 -73.2 -21.5 11.9 -6.4 13.6 86 100 A R G XX S+ 0 0 92 -3,-0.9 4,-1.8 -4,-0.8 3,-1.0 0.697 81.2 77.9 -68.2 -20.2 9.9 -9.4 14.7 87 101 A L G <4 S+ 0 0 36 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.702 78.6 72.1 -63.9 -17.8 7.0 -7.1 15.3 88 102 A A G <4 S+ 0 0 94 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.2 22.2 -63.3 -39.1 6.4 -7.1 11.6 89 103 A Q T <4 S+ 0 0 166 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.553 138.1 32.4-107.7 -12.2 5.0 -10.6 11.7 90 104 A A >< + 0 0 35 -4,-1.8 3,-2.0 1,-0.1 4,-0.3 -0.526 66.9 170.0-138.0 73.5 4.0 -10.8 15.4 91 105 A P G > S+ 0 0 76 0, 0.0 3,-0.7 0, 0.0 -4,-0.1 0.693 71.5 61.7 -65.2 -19.4 2.9 -7.2 16.3 92 106 A T G > S+ 0 0 96 1,-0.2 3,-1.6 2,-0.1 4,-0.3 0.398 73.0 92.9 -91.0 3.7 1.4 -8.2 19.7 93 107 A L G X S+ 0 0 39 -3,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.897 81.5 61.8 -53.8 -37.0 4.8 -9.4 21.1 94 108 A K G < S+ 0 0 116 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.576 88.8 69.3 -73.9 -4.0 5.1 -5.9 22.4 95 109 A D G < S+ 0 0 108 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.541 71.4 111.7 -87.2 -6.9 1.9 -6.3 24.5 96 110 A I S X S- 0 0 71 -3,-1.8 3,-1.4 -4,-0.3 -3,-0.0 -0.520 81.5-103.4 -68.9 126.9 3.8 -8.7 26.8 97 111 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.170 98.2 17.1 -55.4 140.3 4.2 -7.0 30.2 98 112 A G T 3 S+ 0 0 25 1,-0.3 -26,-0.2 -3,-0.1 2,-0.2 0.377 97.7 123.8 85.9 -1.8 7.6 -5.6 31.2 99 113 A T < - 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