==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-BINDING PROTEIN 18-JAN-13 3ZJS . COMPND 2 MOLECULE: PROTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR A.PESCE,L.TILLEMAN,J.DONNE',E.ASTE,P.ASCENZI,C.CIACCIO,M.COL . 382 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 76.4 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 . 6 1.6 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 0.5 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 . 10 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 2 0 0 0 2 0 2 2 4 0 0 0 0 0 2 0 2 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 . 3 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 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 5 A K 0 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.7 -28.3 0.3 3.9 2 6 A I > - 0 0 42 3,-0.2 3,-2.4 85,-0.0 82,-0.0 -0.879 360.0-121.8-106.5 111.3 -24.5 -0.2 4.0 3 7 A P T 3 S+ 0 0 88 0, 0.0 85,-0.1 0, 0.0 3,-0.1 -0.267 94.4 11.0 -63.1 135.0 -23.5 -3.6 2.7 4 8 A G T 3 S+ 0 0 24 1,-0.2 2,-0.8 120,-0.1 121,-0.1 0.240 92.9 127.9 85.9 -13.9 -21.6 -5.6 5.2 5 9 A Y < + 0 0 35 -3,-2.4 -1,-0.2 1,-0.1 -3,-0.2 -0.668 24.7 164.0 -81.3 109.2 -22.4 -3.2 8.0 6 10 A T > + 0 0 35 -2,-0.8 3,-2.8 -3,-0.1 -1,-0.1 0.020 4.5 158.4-119.3 28.3 -23.8 -5.3 10.8 7 11 A Y T 3 S+ 0 0 23 1,-0.3 98,-0.1 2,-0.1 97,-0.1 -0.303 79.6 11.6 -53.9 127.1 -23.7 -3.1 13.9 8 12 A G T 3 S+ 0 0 55 96,-0.5 -1,-0.3 1,-0.1 97,-0.1 0.445 119.9 72.8 83.1 0.3 -26.3 -4.5 16.3 9 13 A E < + 0 0 137 -3,-2.8 2,-0.2 95,-0.1 -2,-0.1 -0.127 63.3 142.7-134.3 36.4 -26.8 -7.7 14.3 10 14 A T - 0 0 32 1,-0.1 98,-0.1 2,-0.1 97,-0.0 -0.513 50.8-135.9 -81.1 151.9 -23.6 -9.6 15.0 11 15 A E S S+ 0 0 177 -2,-0.2 2,-0.4 96,-0.1 -1,-0.1 0.679 82.0 58.9 -75.0 -25.4 -23.6 -13.4 15.4 12 16 A N S S- 0 0 75 95,-0.1 2,-0.4 0, 0.0 99,-0.1 -0.867 73.6-130.5-115.2 143.4 -21.2 -13.4 18.4 13 17 A R - 0 0 178 -2,-0.4 91,-0.1 1,-0.1 -2,-0.0 -0.740 42.5-109.0 -74.9 136.3 -21.2 -11.9 21.9 14 18 A A - 0 0 9 -2,-0.4 93,-0.1 89,-0.3 -1,-0.1 -0.288 15.3-129.4 -60.4 149.2 -17.9 -10.1 22.5 15 19 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.410 92.2 66.8 -85.4 3.1 -15.6 -11.8 24.9 16 20 A F - 0 0 3 87,-0.1 2,-0.2 90,-0.1 -2,-0.1 -0.926 68.9-163.7-120.9 149.0 -15.3 -8.5 26.8 17 21 A N > - 0 0 78 -2,-0.3 4,-2.1 89,-0.0 5,-0.1 -0.494 41.7 -81.6-124.3-170.6 -18.0 -6.8 28.7 18 22 A L H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.758 126.0 58.0 -76.3 -18.8 -18.8 -3.4 30.2 19 23 A E H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.957 108.5 45.1 -68.2 -49.5 -16.7 -4.1 33.2 20 24 A D H > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.867 112.6 54.1 -53.5 -40.6 -13.6 -4.7 30.9 21 25 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.877 103.5 53.2 -69.5 -35.9 -14.6 -1.6 29.1 22 26 A K H X S+ 0 0 106 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.930 110.3 48.5 -67.1 -38.9 -14.6 0.6 32.2 23 27 A L H X S+ 0 0 37 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.856 113.8 46.1 -73.8 -18.5 -11.1 -0.4 33.2 24 28 A L H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.3 -2,-0.2 0.885 105.5 56.6-101.9 -29.2 -9.9 0.1 29.9 25 29 A K H <>S+ 0 0 44 -4,-2.9 5,-2.9 1,-0.2 -2,-0.2 0.940 109.7 51.6 -51.8 -46.7 -11.5 3.5 29.5 26 30 A E H ><5S+ 0 0 56 -4,-2.1 3,-1.8 3,-0.2 -2,-0.3 0.925 103.5 55.6 -64.2 -42.9 -9.6 4.3 32.7 27 31 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.897 112.6 42.7 -59.5 -36.0 -6.3 3.0 31.2 28 32 A V T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 307,-0.1 -2,-0.2 0.274 114.0-118.5 -90.5 8.5 -6.8 5.5 28.3 29 33 A M T < 5 + 0 0 53 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.830 57.1 159.7 64.7 32.0 -7.9 8.3 30.6 30 34 A F < + 0 0 10 -5,-2.9 2,-0.2 -6,-0.2 -1,-0.2 -0.786 9.5 162.3 -91.4 126.0 -11.3 8.5 28.9 31 35 A T >> - 0 0 73 -2,-0.5 4,-1.3 -5,-0.0 3,-0.7 -0.747 56.5 -77.8-128.9-176.2 -14.1 10.1 31.0 32 36 A A H 3> S+ 0 0 61 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.769 126.1 61.9 -54.0 -32.9 -17.5 11.7 30.6 33 37 A E H 3> S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 100.9 51.3 -64.2 -38.8 -15.8 14.9 29.3 34 38 A D H <> S+ 0 0 13 -3,-0.7 4,-2.9 1,-0.2 5,-0.3 0.850 103.7 59.3 -66.9 -32.5 -14.4 12.9 26.4 35 39 A E H X S+ 0 0 99 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.941 106.9 47.0 -55.9 -46.5 -18.0 11.6 25.6 36 40 A E H X S+ 0 0 104 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.947 117.3 43.4 -61.0 -43.1 -19.1 15.2 25.2 37 41 A Y H X S+ 0 0 32 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.760 109.7 52.4 -82.3 -27.4 -16.1 16.0 23.0 38 42 A I H X S+ 0 0 6 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.926 110.7 51.5 -68.8 -39.5 -16.1 12.9 20.8 39 43 A Q H X S+ 0 0 99 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.853 110.2 47.8 -62.1 -37.2 -19.8 13.7 20.2 40 44 A K H X S+ 0 0 38 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.828 105.4 59.5 -72.7 -35.7 -18.7 17.2 19.2 41 45 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.908 103.5 53.2 -53.1 -42.5 -16.0 15.7 17.0 42 46 A G H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.943 105.0 51.0 -62.8 -50.4 -18.8 14.0 15.1 43 47 A E H < S+ 0 0 128 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.849 115.3 45.9 -51.6 -34.9 -20.9 17.1 14.4 44 48 A V H < S+ 0 0 6 -4,-1.5 4,-0.2 1,-0.2 -2,-0.2 0.850 118.7 38.0 -81.2 -37.5 -17.7 18.7 13.0 45 49 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.680 93.9 85.8 -85.5 -23.1 -16.4 15.8 10.9 46 50 A E G >< S+ 0 0 116 -4,-2.4 3,-1.0 1,-0.3 4,-0.2 0.877 92.5 45.5 -52.2 -43.4 -19.8 14.7 9.6 47 51 A D G 3 S+ 0 0 129 -4,-0.5 -1,-0.3 1,-0.2 3,-0.3 0.702 114.9 47.0 -64.4 -33.6 -19.7 17.2 6.7 48 52 A Q G X> S+ 0 0 18 -3,-1.4 4,-2.1 -4,-0.2 3,-0.8 0.259 72.0 117.6-101.0 6.4 -16.2 16.4 5.7 49 53 A V H <> S+ 0 0 10 -3,-1.0 4,-2.2 -4,-0.5 5,-0.2 0.843 74.4 53.7 -55.4 -36.0 -16.4 12.6 5.7 50 54 A E H 3> S+ 0 0 113 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.920 109.5 46.2 -60.8 -44.3 -15.6 12.4 2.0 51 55 A E H <> S+ 0 0 80 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.888 110.6 53.9 -68.5 -39.9 -12.5 14.4 2.2 52 56 A I H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.906 107.6 50.1 -54.5 -49.3 -11.3 12.5 5.2 53 57 A L H X S+ 0 0 1 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.884 110.1 50.5 -63.6 -40.4 -11.7 9.2 3.5 54 58 A D H X S+ 0 0 94 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.894 110.7 49.9 -62.8 -41.4 -9.7 10.5 0.5 55 59 A T H X S+ 0 0 60 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.953 115.9 43.3 -60.4 -48.4 -7.0 11.7 2.8 56 60 A W H X S+ 0 0 12 -4,-2.8 4,-2.1 2,-0.2 3,-0.4 0.925 116.2 44.0 -63.9 -51.0 -6.9 8.3 4.5 57 61 A Y H X S+ 0 0 27 -4,-3.4 4,-3.8 1,-0.2 5,-0.3 0.848 109.7 58.7 -66.5 -26.8 -7.0 6.2 1.4 58 62 A G H X S+ 0 0 45 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.782 108.0 45.4 -71.8 -29.3 -4.5 8.5 -0.3 59 63 A F H < S+ 0 0 28 -4,-1.3 4,-0.4 -3,-0.4 -2,-0.2 0.878 116.3 47.2 -73.2 -42.2 -2.1 7.7 2.6 60 64 A V H >< S+ 0 0 4 -4,-2.1 3,-1.8 1,-0.2 7,-0.7 0.971 112.1 46.9 -62.8 -51.9 -3.0 4.0 2.2 61 65 A G H 3< S+ 0 0 37 -4,-3.8 -1,-0.2 1,-0.3 -3,-0.2 0.798 103.3 67.5 -62.6 -25.1 -2.6 3.8 -1.6 62 66 A S T 3< S+ 0 0 82 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.635 95.6 59.3 -63.9 -24.0 0.7 5.6 -1.3 63 67 A H X> - 0 0 38 -3,-1.8 4,-3.3 -4,-0.4 3,-1.3 -0.954 66.9-159.6-122.2 110.3 2.4 2.7 0.5 64 68 A P H 3> S+ 0 0 102 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.837 94.9 54.8 -61.4 -33.9 2.5 -0.6 -1.3 65 69 A H H 34 S+ 0 0 31 2,-0.2 4,-0.1 1,-0.1 -5,-0.0 0.686 117.1 40.3 -75.2 -10.1 3.1 -2.6 1.8 66 70 A L H X4 S+ 0 0 5 -3,-1.3 3,-1.6 -6,-0.3 4,-0.3 0.857 112.9 49.2 -98.6 -50.8 -0.1 -0.9 3.1 67 71 A L H >< S+ 0 0 32 -4,-3.3 3,-2.6 -7,-0.7 4,-0.2 0.817 94.8 83.7 -48.6 -36.3 -2.3 -1.0 -0.0 68 72 A Y G >< S+ 0 0 115 -4,-1.7 3,-1.9 -5,-0.4 62,-0.4 0.796 78.3 62.6 -37.3 -40.8 -1.2 -4.7 -0.1 69 73 A Y G < S+ 0 0 34 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.706 104.7 46.9 -75.1 -13.4 -4.0 -5.6 2.3 70 74 A F G < S+ 0 0 33 -3,-2.6 8,-2.8 -4,-0.3 -1,-0.3 0.206 94.4 116.1 -97.7 11.9 -6.6 -4.5 -0.2 71 75 A T B < -A 77 0A 10 -3,-1.9 59,-0.6 6,-0.3 5,-0.1 -0.591 65.2-124.9 -90.7 146.1 -5.0 -6.3 -3.2 72 76 A S > - 0 0 29 4,-2.8 3,-2.5 -2,-0.3 57,-0.2 -0.336 47.1 -95.2 -59.5 158.6 -6.2 -9.2 -5.3 73 77 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.785 125.2 64.4 -52.9 -27.9 -3.7 -12.1 -5.4 74 78 A D T 3 S- 0 0 119 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.460 119.7-107.2 -77.7 1.9 -2.1 -10.7 -8.6 75 79 A G S < S+ 0 0 49 -3,-2.5 -1,-0.1 1,-0.3 3,-0.0 0.242 81.0 121.0 94.8 -12.1 -1.0 -7.6 -6.7 76 80 A T S S- 0 0 76 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.602 73.3 -97.8 -89.5 141.9 -3.5 -5.1 -8.1 77 81 A P B -A 71 0A 53 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.372 31.1-127.4 -58.0 130.5 -5.8 -3.2 -5.7 78 82 A N > - 0 0 28 -8,-2.8 4,-2.2 1,-0.2 5,-0.1 -0.714 22.4-166.1 -79.9 109.7 -9.3 -4.8 -5.5 79 83 A E H > S+ 0 0 141 -2,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.757 85.8 53.2 -76.0 -25.7 -11.5 -1.8 -6.3 80 84 A K H > S+ 0 0 121 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.898 110.0 50.7 -70.5 -35.8 -14.7 -3.5 -5.1 81 85 A Y H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.948 110.9 47.8 -67.2 -44.6 -12.9 -4.2 -1.8 82 86 A L H X S+ 0 0 29 -4,-2.2 4,-2.4 -12,-0.2 -1,-0.2 0.925 113.3 46.4 -61.2 -49.8 -11.8 -0.6 -1.4 83 87 A A H X S+ 0 0 50 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.873 113.0 48.3 -65.2 -42.6 -15.2 0.9 -2.1 84 88 A A H X S+ 0 0 17 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.978 114.4 44.5 -65.9 -50.1 -17.2 -1.4 0.1 85 89 A V H X S+ 0 0 26 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.866 107.1 62.1 -59.4 -39.8 -14.8 -1.0 3.1 86 90 A R H X S+ 0 0 55 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.902 102.5 49.8 -53.5 -45.6 -14.8 2.8 2.5 87 91 A K H X S+ 0 0 124 -4,-1.6 4,-1.4 -3,-0.4 -1,-0.2 0.889 114.2 44.9 -60.6 -41.6 -18.5 2.9 3.2 88 92 A R H X S+ 0 0 29 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.864 112.2 52.3 -74.6 -28.4 -18.1 1.0 6.4 89 93 A F H X S+ 0 0 38 -4,-3.0 4,-1.6 2,-0.2 3,-0.3 0.938 107.0 52.4 -69.7 -46.1 -15.1 3.0 7.4 90 94 A S H X S+ 0 0 26 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.864 108.6 51.1 -56.9 -38.5 -17.1 6.3 6.9 91 95 A R H X S+ 0 0 86 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.841 103.0 59.4 -69.6 -32.6 -19.8 4.9 9.2 92 96 A W H X S+ 0 0 18 -4,-1.5 4,-2.6 -3,-0.3 5,-0.3 0.858 97.3 60.9 -65.4 -33.0 -17.3 4.0 11.9 93 97 A I H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.951 111.9 39.2 -57.1 -42.8 -16.3 7.7 12.1 94 98 A L H X S+ 0 0 20 -4,-1.1 4,-2.4 2,-0.2 5,-0.3 0.873 113.2 53.7 -77.2 -37.8 -19.9 8.4 13.1 95 99 A D H X S+ 0 0 9 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.878 107.6 51.0 -59.1 -42.4 -20.3 5.4 15.3 96 100 A T H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 117.1 43.6 -63.1 -34.1 -17.2 6.4 17.3 97 101 A S H < S+ 0 0 5 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.849 128.2 20.0 -72.9 -43.3 -18.8 9.8 17.6 98 102 A N H < S+ 0 0 88 -4,-2.4 2,-0.2 -56,-0.1 -3,-0.2 0.540 92.4 98.2-118.3 -18.3 -22.4 9.0 18.4 99 103 A R S < S- 0 0 88 -4,-2.1 2,-0.5 -5,-0.3 -60,-0.0 -0.545 71.9-116.3 -78.5 145.4 -22.9 5.5 19.8 100 104 A S - 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