==== 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 3FPV . 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 . 1128 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 19.9 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 2 0.2 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 . 47 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 6 0 0 0 0 0 0 5 3 1 7 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 4 0 8 16 4 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 . 4 0 0 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 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 16 A V 0 0 93 0, 0.0 817,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 111.4 123.6 56.2 27.4 2 17 A A B -a 818 0A 61 815,-0.2 2,-0.3 847,-0.1 817,-0.2 -0.820 360.0-154.5-108.5 132.4 126.4 58.7 27.9 3 18 A A - 0 0 3 815,-3.1 817,-0.4 -2,-0.4 2,-0.3 -0.753 21.3-157.1 -88.8 148.4 126.9 62.2 26.5 4 19 A R > - 0 0 142 -2,-0.3 3,-1.1 815,-0.1 846,-0.3 -0.951 30.6 -55.7-159.1-176.1 130.3 63.8 26.1 5 20 A G G > S+ 0 0 49 1,-0.3 3,-1.0 -2,-0.3 -2,-0.0 -0.156 114.7 40.5 -81.9 -23.9 132.0 66.5 25.9 6 21 A G G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -2,-0.2 722,-0.1 0.717 118.1 51.7 -70.5 -21.9 131.1 68.8 23.0 7 22 A E G < S+ 0 0 20 -3,-1.1 718,-2.0 720,-0.1 2,-0.3 0.397 99.4 86.3 -94.8 0.1 127.4 68.2 23.6 8 23 A L E < +J 724 0B 27 -3,-1.0 2,-0.3 716,-0.2 716,-0.2 -0.767 53.7 179.5 -93.2 145.7 127.9 69.0 27.3 9 24 A T E -J 723 0B 49 714,-2.7 714,-3.0 -2,-0.3 2,-0.3 -0.960 16.3-134.4-137.1 163.8 127.7 72.5 28.8 10 25 A Q E -J 722 0B 98 -2,-0.3 2,-0.3 712,-0.2 712,-0.2 -0.809 12.8-169.1-118.2 151.5 128.1 73.7 32.4 11 26 A S E -J 721 0B 33 710,-2.1 710,-2.0 -2,-0.3 2,-0.4 -0.964 17.2-131.6-133.4 159.1 126.3 76.1 34.7 12 27 A T E +J 720 0B 49 -2,-0.3 2,-0.3 708,-0.2 708,-0.2 -0.867 28.5 170.1-112.9 143.4 127.2 77.6 38.1 13 28 A H E -J 719 0B 18 706,-2.5 706,-2.8 -2,-0.4 2,-0.2 -0.967 37.8 -97.1-143.3 153.5 124.9 77.8 41.1 14 29 A L E -J 718 0B 3 -2,-0.3 704,-0.2 100,-0.3 2,-0.1 -0.558 44.6-118.5 -55.1 133.9 124.8 78.5 44.8 15 30 A T > - 0 0 23 702,-1.9 4,-2.5 -2,-0.2 5,-0.2 -0.426 26.8-110.6 -56.6 152.2 125.1 75.5 47.0 16 31 A L H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.901 121.6 58.3 -49.9 -43.8 122.0 74.8 49.1 17 32 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 108.5 43.2 -57.5 -42.6 124.3 75.7 52.1 18 33 A A H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 113.6 50.3 -70.7 -45.4 125.0 79.2 50.6 19 34 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.915 112.8 47.2 -57.9 -45.6 121.4 79.8 49.6 20 35 A T H X S+ 0 0 3 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.918 111.7 50.9 -61.3 -46.0 120.2 78.9 53.1 21 36 A K H X S+ 0 0 108 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.920 113.6 44.4 -57.2 -48.0 122.9 81.1 54.6 22 37 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.895 113.8 50.5 -63.8 -42.2 121.9 84.1 52.5 23 38 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.916 110.2 48.3 -64.8 -44.8 118.2 83.5 53.1 24 39 A R H X S+ 0 0 89 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.811 108.5 55.7 -66.9 -30.6 118.6 83.3 56.9 25 40 A A H X S+ 0 0 9 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.840 105.3 52.0 -68.6 -35.1 120.6 86.5 56.8 26 41 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.912 111.4 46.5 -67.3 -44.6 117.8 88.3 55.0 27 42 A V H X S+ 0 0 15 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.934 111.6 52.5 -54.6 -49.0 115.4 87.2 57.7 28 43 A E H X S+ 0 0 108 -4,-2.3 4,-1.4 1,-0.3 -2,-0.2 0.853 107.7 49.9 -64.4 -37.8 117.8 88.2 60.4 29 44 A A H X S+ 0 0 14 -4,-2.0 4,-0.6 2,-0.2 -1,-0.3 0.836 113.7 46.6 -68.3 -34.3 118.3 91.7 59.0 30 45 A A H ><>S+ 0 0 0 -4,-1.5 5,-2.7 2,-0.2 3,-1.2 0.915 108.8 54.6 -71.4 -46.0 114.5 92.1 58.9 31 46 A E H ><5S+ 0 0 78 -4,-3.4 3,-1.7 1,-0.2 -2,-0.2 0.850 101.2 62.5 -46.7 -38.4 114.1 90.7 62.4 32 47 A K H 3<5S+ 0 0 141 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.750 105.2 43.5 -69.7 -26.3 116.6 93.4 63.5 33 48 A D T <<5S- 0 0 79 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.127 122.2-103.4-102.0 18.1 114.2 96.2 62.4 34 49 A G T < 5S+ 0 0 55 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.805 76.2 145.3 66.4 30.1 111.2 94.5 64.0 35 50 A R < - 0 0 79 -5,-2.7 2,-0.5 -8,-0.1 -1,-0.2 -0.713 43.9-147.0-103.0 151.2 110.0 93.4 60.5 36 51 A H + 0 0 87 85,-0.3 22,-0.5 -2,-0.3 2,-0.3 -0.938 33.9 156.5-121.6 110.0 108.2 90.2 59.5 37 52 A V - 0 0 0 -2,-0.5 17,-1.4 20,-0.2 2,-0.4 -0.778 38.9-128.3-125.9 161.9 109.1 89.0 56.0 38 53 A S E -KL 53 120C 1 82,-2.4 82,-1.9 -2,-0.3 2,-0.4 -0.893 26.6-157.0-102.6 151.0 109.2 85.9 53.8 39 54 A V E -KL 52 119C 2 13,-2.5 13,-2.5 -2,-0.4 2,-0.4 -0.992 10.8-177.5-130.4 133.6 112.4 85.2 52.0 40 55 A A E -KL 51 118C 1 78,-2.5 78,-3.4 -2,-0.4 2,-0.5 -0.989 13.5-158.8-125.8 140.6 113.0 83.1 48.8 41 56 A V E -KL 50 117C 0 9,-2.7 8,-3.0 -2,-0.4 9,-1.5 -0.980 17.1-168.3-111.6 120.4 116.2 82.2 47.0 42 57 A V E -KL 48 116C 2 74,-2.4 74,-2.2 -2,-0.5 6,-0.3 -0.927 17.0-128.5-113.3 124.6 115.5 81.3 43.3 43 58 A D E > - L 0 115C 6 4,-2.7 3,-1.1 -2,-0.5 72,-0.3 -0.177 27.7-110.5 -57.3 157.2 118.1 79.6 41.1 44 59 A R T 3 S+ 0 0 55 70,-1.9 71,-0.1 1,-0.2 -1,-0.1 0.635 125.2 52.1 -62.6 -13.8 118.9 81.1 37.7 45 60 A N T 3 S- 0 0 25 69,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.184 120.9-130.1 -91.4 19.0 117.2 78.0 36.2 46 61 A G < + 0 0 16 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.171 60.6 141.9 -75.6 88.4 114.9 79.1 38.4 47 62 A N - 0 0 31 708,-0.1 -4,-2.7 1,-0.1 2,-0.3 -0.619 62.4-104.8 -51.1 136.9 113.7 76.4 40.5 48 63 A T E -K 42 0C 17 -2,-0.3 -6,-0.2 -6,-0.3 3,-0.1 -0.616 38.0-177.9 -63.4 132.2 113.2 77.8 44.0 49 64 A L E + 0 0 14 -8,-3.0 146,-2.8 1,-0.4 2,-0.4 0.780 64.2 14.0-101.7 -42.6 116.1 76.6 46.2 50 65 A V E +KM 41 194C 0 -9,-1.5 -9,-2.7 144,-0.2 2,-0.4 -0.999 55.8 179.7-139.1 132.6 115.1 78.0 49.6 51 66 A T E -KM 40 193C 1 142,-1.7 142,-1.6 -2,-0.4 2,-0.4 -0.995 1.9-177.9-121.8 143.7 112.0 79.5 51.2 52 67 A L E -KM 39 192C 1 -13,-2.5 -13,-2.5 -2,-0.4 2,-0.7 -0.948 13.3-155.3-133.1 120.1 111.5 80.8 54.7 53 68 A R E -K 38 0C 30 138,-2.9 -15,-0.2 -2,-0.4 3,-0.1 -0.830 24.3-136.6 -91.8 111.8 108.2 82.1 56.0 54 69 A G > - 0 0 4 -17,-1.4 3,-1.7 -2,-0.7 2,-0.4 -0.167 27.2 -88.2 -68.6 158.0 108.9 84.5 58.8 55 70 A D T 3 S+ 0 0 61 1,-0.3 -1,-0.1 -17,-0.0 3,-0.1 -0.526 113.8 4.8 -68.4 121.8 106.9 84.6 62.1 56 71 A G T 3 S+ 0 0 54 -2,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.659 92.9 152.9 73.9 16.8 103.9 87.0 61.7 57 72 A A < - 0 0 12 -3,-1.7 -1,-0.3 -20,-0.2 -20,-0.2 -0.534 54.5 -97.6 -69.1 142.8 104.7 87.5 58.0 58 73 A G > - 0 0 4 -22,-0.5 3,-1.5 -2,-0.2 4,-0.4 -0.319 28.3-121.9 -59.6 146.3 101.7 88.4 55.8 59 74 A P T 3 S+ 0 0 18 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.696 111.0 56.6 -68.5 -18.9 100.2 85.5 54.0 60 75 A Q T 3> S+ 0 0 8 1,-0.2 4,-1.3 2,-0.1 5,-0.1 0.632 90.6 74.4 -82.4 -15.8 100.8 87.2 50.6 61 76 A S H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.738 82.1 67.2 -79.4 -24.8 104.5 87.6 51.2 62 77 A Y H > S+ 0 0 20 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.982 110.5 31.7 -57.1 -63.9 105.5 84.0 50.6 63 78 A E H > S+ 0 0 103 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.814 116.9 59.8 -66.0 -31.3 104.6 83.8 46.9 64 79 A S H X S+ 0 0 2 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.901 104.9 48.2 -65.6 -42.3 105.6 87.5 46.5 65 80 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -25,-0.2 0.896 110.1 53.5 -61.8 -42.4 109.1 86.8 47.7 66 81 A E H X S+ 0 0 46 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.945 110.7 44.9 -55.5 -50.9 109.4 83.9 45.3 67 82 A R H X S+ 0 0 83 -4,-2.3 4,-2.3 1,-0.2 32,-0.7 0.819 110.2 54.3 -70.9 -32.8 108.4 85.9 42.3 68 83 A K H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.902 110.1 47.2 -63.1 -43.0 110.7 88.8 43.2 69 84 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.885 112.0 50.9 -67.2 -40.5 113.6 86.5 43.4 70 85 A F H X S+ 0 0 35 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.920 112.1 46.8 -55.9 -47.9 112.6 84.9 40.1 71 86 A T H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 6,-0.2 0.884 110.6 51.7 -69.1 -39.7 112.4 88.4 38.4 72 87 A A H X>S+ 0 0 0 -4,-2.3 5,-1.6 1,-0.2 4,-0.7 0.912 113.7 42.6 -62.5 -45.1 115.7 89.6 39.8 73 88 A V H <5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 106.0 64.4 -74.8 -26.7 117.7 86.5 38.6 74 89 A S H <5S+ 0 0 5 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 120.7 19.4 -65.7 -33.7 115.9 86.5 35.2 75 90 A W H <5S- 0 0 52 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.291 102.4-120.1-123.3 4.9 117.3 89.9 34.2 76 91 A N T <5S+ 0 0 61 -4,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.903 77.8 100.1 53.8 48.0 120.3 90.2 36.6 77 92 A A S - 0 0 31 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.352 35.1-127.8 -54.5 140.7 117.2 94.5 41.4 79 94 A T H > S+ 0 0 0 25,-2.4 4,-2.3 1,-0.2 23,-0.3 0.790 111.7 61.0 -66.6 -27.6 113.4 94.5 40.9 80 95 A S H > S+ 0 0 32 24,-0.4 4,-0.6 21,-0.2 -1,-0.2 0.899 108.9 42.3 -60.3 -43.6 113.4 98.1 42.1 81 96 A E H >4 S+ 0 0 89 -3,-0.2 3,-0.7 1,-0.2 4,-0.3 0.878 114.4 52.6 -62.9 -40.5 115.6 98.9 39.1 82 97 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.2 0.798 98.7 61.9 -73.9 -30.3 113.4 96.6 36.9 83 98 A A H >< S+ 0 0 32 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.763 94.4 64.3 -65.8 -26.1 110.1 98.3 37.9 84 99 A K G X< S+ 0 0 141 -3,-0.7 3,-1.0 -4,-0.6 4,-0.4 0.698 89.8 68.8 -66.4 -20.1 111.5 101.5 36.4 85 100 A R G <> S+ 0 0 83 -3,-1.3 4,-2.1 -4,-0.3 3,-0.5 0.654 79.9 76.4 -74.3 -16.0 111.5 99.7 33.0 86 101 A L G <4 S+ 0 0 25 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.624 79.1 72.4 -77.4 -13.6 107.7 99.6 32.9 87 102 A A T <4 S+ 0 0 92 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.949 115.0 21.5 -59.0 -51.5 107.5 103.3 32.0 88 103 A Q T 4 S+ 0 0 150 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.1 0.783 139.2 31.9 -86.8 -30.7 108.8 102.5 28.5 89 104 A A >< + 0 0 27 -4,-2.1 3,-1.4 1,-0.1 -1,-0.2 -0.697 65.3 169.1-135.0 78.3 107.8 98.9 28.3 90 105 A P G > S+ 0 0 77 0, 0.0 3,-0.6 0, 0.0 -4,-0.1 0.598 70.7 63.7 -77.3 -13.9 104.7 98.3 30.4 91 106 A T G > S+ 0 0 12 1,-0.2 3,-1.1 1003,-0.2 4,-0.2 0.286 72.4 93.4 -97.7 8.8 103.9 94.8 29.3 92 107 A L G X S+ 0 0 24 -3,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.783 81.3 60.6 -60.0 -29.3 107.1 93.4 30.8 93 108 A K G < S+ 0 0 44 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.487 90.3 68.6 -81.1 -2.9 104.9 92.6 33.8 94 109 A D G < S+ 0 0 31 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.494 71.0 111.4 -92.5 -5.9 102.7 90.4 31.7 95 110 A I S X S- 0 0 6 -3,-1.1 3,-1.4 -4,-0.2 960,-0.1 -0.583 83.5-102.7 -65.8 121.9 105.6 87.9 31.4 96 111 A P T 3 S+ 0 0 25 0, 0.0 962,-0.1 0, 0.0 -1,-0.1 -0.122 98.5 16.4 -53.1 136.5 104.5 84.8 33.4 97 112 A G T 3 S+ 0 0 25 1,-0.3 2,-0.2 -4,-0.1 -26,-0.2 0.414 96.3 123.7 91.4 -0.8 106.0 84.3 36.9 98 113 A T < - 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