==== 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 3ZJN . 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 . 381 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 76.1 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 . 11 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 52.8 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 0 0 0 0 2 0 0 1 5 0 0 0 1 1 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 6 A I > 0 0 95 0, 0.0 3,-1.9 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 123.5 13.1 -1.8 39.7 2 7 A P T 3 + 0 0 95 0, 0.0 85,-0.1 0, 0.0 3,-0.1 -0.295 360.0 6.8 -62.9 134.4 11.9 -5.3 40.7 3 8 A G T 3 S+ 0 0 28 1,-0.2 2,-0.6 120,-0.1 121,-0.0 0.202 92.1 127.1 84.6 -13.2 10.8 -7.4 37.7 4 9 A Y < + 0 0 39 -3,-1.9 -1,-0.2 1,-0.1 82,-0.0 -0.668 25.0 166.4 -81.4 115.2 12.0 -4.9 35.1 5 10 A T > + 0 0 42 -2,-0.6 3,-2.7 -3,-0.1 -1,-0.1 0.033 7.9 159.9-123.5 25.9 14.3 -6.8 32.7 6 11 A Y T 3 S+ 0 0 21 1,-0.3 98,-0.1 2,-0.1 97,-0.1 -0.263 74.7 14.3 -52.4 123.5 14.6 -4.4 29.7 7 12 A G T 3 S+ 0 0 53 96,-0.5 -1,-0.3 95,-0.1 3,-0.1 0.247 122.6 65.0 95.3 -13.6 17.7 -5.4 27.8 8 13 A E < + 0 0 154 -3,-2.7 -2,-0.1 1,-0.1 95,-0.0 -0.150 55.2 127.9-136.0 45.2 18.0 -8.7 29.4 9 14 A T - 0 0 17 2,-0.1 -1,-0.1 94,-0.1 3,-0.1 0.709 52.4-146.7 -78.1 -26.4 15.0 -10.7 28.4 10 15 A E S S+ 0 0 177 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 0.595 73.8 87.0 63.2 6.7 16.6 -14.0 27.0 11 16 A N S S- 0 0 73 95,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.980 75.1-138.3-118.4 136.9 13.9 -14.5 24.4 12 17 A R - 0 0 167 -2,-0.4 91,-0.1 -3,-0.1 4,-0.1 -0.727 33.5-102.7 -81.5 140.9 14.3 -12.7 21.1 13 18 A A - 0 0 14 -2,-0.3 93,-0.1 89,-0.2 -1,-0.1 -0.308 18.9-129.8 -64.6 150.3 11.1 -11.2 19.8 14 19 A P S S+ 0 0 54 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.330 93.7 66.7 -81.3 -0.2 9.3 -13.2 17.0 15 20 A F S S- 0 0 3 90,-0.1 2,-0.2 3,-0.0 -2,-0.1 -0.940 76.2-151.3-119.8 149.0 9.1 -9.9 15.1 16 21 A N > - 0 0 81 -2,-0.4 4,-2.3 -4,-0.1 5,-0.1 -0.524 33.1 -88.0-118.1-179.5 12.1 -8.1 13.8 17 22 A L H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.770 125.1 52.9 -64.1 -28.8 13.3 -4.6 12.9 18 23 A E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.910 108.4 50.0 -68.1 -44.7 11.9 -4.8 9.3 19 24 A D H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.915 111.1 51.0 -55.7 -43.5 8.5 -5.8 10.8 20 25 A L H X S+ 0 0 4 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.923 107.2 52.1 -61.6 -46.0 8.9 -2.7 13.1 21 26 A K H X S+ 0 0 104 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.938 112.7 45.6 -53.6 -51.7 9.7 -0.4 10.1 22 27 A L H X S+ 0 0 32 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.823 113.6 48.1 -63.7 -35.3 6.5 -1.6 8.4 23 28 A L H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.893 108.0 54.8 -73.9 -42.3 4.3 -1.3 11.5 24 29 A K H <>S+ 0 0 34 -4,-3.3 5,-2.9 1,-0.2 -2,-0.2 0.884 107.7 51.5 -50.9 -40.2 5.7 2.2 12.1 25 30 A E H ><5S+ 0 0 55 -4,-1.7 3,-1.2 -5,-0.2 -1,-0.2 0.902 105.9 54.3 -66.5 -38.2 4.6 3.1 8.6 26 31 A A H 3<5S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.805 112.8 42.4 -66.9 -31.5 1.1 1.7 9.4 27 32 A V T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 307,-0.1 -2,-0.2 0.230 113.1-118.4 -98.2 16.3 0.8 4.1 12.5 28 33 A M T < 5 + 0 0 55 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.802 58.0 159.3 58.5 33.4 2.3 7.0 10.6 29 34 A F < + 0 0 11 -5,-2.9 2,-0.2 -6,-0.2 -1,-0.2 -0.776 8.8 159.4 -96.6 124.1 5.2 7.2 13.0 30 35 A T >> - 0 0 74 -2,-0.5 4,-1.6 -5,-0.0 3,-0.8 -0.715 59.8 -77.3-127.2 179.9 8.4 9.0 11.7 31 36 A A H 3> S+ 0 0 59 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.778 127.2 63.8 -46.0 -30.7 11.5 10.7 12.9 32 37 A E H 3> S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 103.2 46.5 -63.4 -41.0 9.2 13.7 13.7 33 38 A D H <> S+ 0 0 11 -3,-0.8 4,-2.9 1,-0.2 5,-0.3 0.833 105.3 59.6 -72.2 -32.2 7.4 11.5 16.3 34 39 A E H X S+ 0 0 100 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.925 109.2 45.3 -56.3 -45.7 10.8 10.3 17.7 35 40 A E H X S+ 0 0 87 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.942 116.2 44.0 -63.0 -47.1 11.5 14.0 18.4 36 41 A Y H X S+ 0 0 41 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.831 109.0 55.0 -77.9 -27.7 8.1 14.8 19.9 37 42 A I H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.872 107.7 52.0 -67.1 -34.0 7.8 11.6 22.0 38 43 A Q H X S+ 0 0 98 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.922 110.6 47.9 -64.1 -39.7 11.2 12.6 23.6 39 44 A K H X S+ 0 0 80 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.909 107.3 55.0 -67.9 -41.5 9.6 16.1 24.3 40 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.901 106.3 54.3 -53.5 -43.7 6.5 14.4 25.8 41 46 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 105.6 51.0 -51.1 -50.0 9.0 12.5 28.1 42 47 A E H < S+ 0 0 95 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.888 114.9 43.7 -61.6 -37.9 10.5 15.8 29.2 43 48 A V H < S+ 0 0 4 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.894 119.7 40.0 -72.7 -44.0 7.0 17.1 30.0 44 49 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 4,-0.2 0.689 91.4 87.4 -79.5 -24.0 5.6 14.0 31.7 45 50 A E G >< S+ 0 0 109 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.830 94.5 37.6 -52.5 -47.0 8.7 12.9 33.7 46 51 A D G 3 S+ 0 0 125 -4,-0.4 -1,-0.3 -3,-0.3 3,-0.1 0.353 113.0 59.4 -92.2 9.0 8.1 14.9 36.9 47 52 A Q G <> + 0 0 20 -3,-2.1 4,-2.2 1,-0.1 3,-0.5 0.230 69.6 112.2-111.8 9.1 4.3 14.4 36.7 48 53 A V H <> + 0 0 10 -3,-0.9 4,-3.1 1,-0.2 5,-0.2 0.808 69.1 58.5 -60.1 -32.6 4.5 10.6 36.9 49 54 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 111.6 41.5 -65.0 -39.8 2.9 10.3 40.4 50 55 A E H > S+ 0 0 102 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.876 113.6 53.8 -71.4 -37.9 -0.3 12.1 39.3 51 56 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.950 109.4 48.7 -58.6 -47.1 -0.2 10.2 36.0 52 57 A L H X S+ 0 0 2 -4,-3.1 4,-2.8 1,-0.2 5,-0.4 0.905 111.5 48.4 -61.5 -43.2 -0.1 6.9 37.9 53 58 A D H X S+ 0 0 96 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.845 113.7 47.9 -63.5 -36.6 -2.9 7.9 40.2 54 59 A T H X S+ 0 0 65 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.887 115.6 44.0 -73.0 -39.5 -5.0 9.0 37.2 55 60 A W H X S+ 0 0 11 -4,-2.9 4,-2.3 2,-0.2 3,-0.3 0.972 119.4 39.1 -71.4 -53.5 -4.3 5.8 35.3 56 61 A Y H X S+ 0 0 29 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.731 110.0 63.0 -72.5 -22.7 -4.8 3.3 38.1 57 62 A G H X S+ 0 0 42 -4,-1.2 4,-0.6 -5,-0.4 -1,-0.2 0.900 105.9 45.4 -61.6 -41.0 -7.7 5.4 39.3 58 63 A F H >X S+ 0 0 20 -4,-1.4 3,-1.2 -3,-0.3 4,-0.5 0.950 113.7 47.9 -67.5 -46.7 -9.4 4.6 36.0 59 64 A V H >< S+ 0 0 5 -4,-2.3 3,-1.2 1,-0.3 7,-0.9 0.940 113.3 49.1 -58.3 -43.2 -8.5 0.9 36.2 60 65 A G H 3< S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.595 97.8 71.7 -69.4 -14.3 -9.7 0.8 39.9 61 66 A S H << S+ 0 0 70 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.625 95.5 52.2 -80.0 -16.5 -13.0 2.5 38.9 62 67 A H S XX S- 0 0 41 -3,-1.2 4,-2.5 -4,-0.5 3,-1.8 -0.984 72.4-146.4-127.2 121.7 -14.5 -0.5 37.1 63 68 A P H 3> S+ 0 0 108 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.841 99.2 57.5 -55.2 -32.9 -14.6 -3.9 38.8 64 69 A H H 34 S+ 0 0 29 2,-0.2 4,-0.1 1,-0.2 -5,-0.0 0.618 113.0 40.0 -79.6 -11.4 -14.0 -5.7 35.5 65 70 A L H X4 S+ 0 0 3 -3,-1.8 3,-2.1 -6,-0.3 4,-0.2 0.833 113.5 50.2 -96.5 -50.6 -10.8 -3.9 34.9 66 71 A L H >< S+ 0 0 37 -4,-2.5 3,-2.9 -7,-0.9 4,-0.4 0.850 94.9 81.5 -55.0 -34.0 -9.5 -3.9 38.5 67 72 A Y G >< S+ 0 0 116 -4,-2.3 3,-1.3 -5,-0.3 62,-0.4 0.750 78.6 65.2 -30.4 -44.0 -10.3 -7.7 38.2 68 73 A Y G < S+ 0 0 36 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.656 104.9 44.1 -71.4 -11.5 -7.0 -8.3 36.4 69 74 A F G < S+ 0 0 28 -3,-2.9 8,-2.4 -4,-0.2 -1,-0.3 0.346 94.3 116.9-106.3 -0.1 -5.1 -7.3 39.6 70 75 A T B < -A 76 0A 8 -3,-1.3 59,-0.5 -4,-0.4 -3,-0.0 -0.315 60.3-129.6 -78.1 151.1 -7.3 -9.3 42.0 71 76 A S > - 0 0 27 4,-3.1 3,-2.5 57,-0.2 57,-0.2 -0.414 46.8 -89.6 -76.6 168.4 -6.5 -12.2 44.3 72 77 A P T 3 S+ 0 0 109 0, 0.0 56,-0.1 0, 0.0 -1,-0.1 0.830 127.1 65.3 -50.9 -35.5 -8.7 -15.3 44.2 73 78 A D T 3 S- 0 0 117 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.416 118.4-110.3 -70.2 3.7 -11.0 -13.7 46.8 74 79 A G S < S+ 0 0 52 -3,-2.5 -1,-0.1 1,-0.3 -4,-0.1 0.431 80.8 121.4 85.0 -0.8 -11.9 -10.9 44.4 75 80 A T S S- 0 0 69 1,-0.1 -4,-3.1 -4,-0.1 -1,-0.3 -0.685 73.5 -95.8 -96.5 147.0 -9.9 -8.2 46.2 76 81 A P B -A 70 0A 40 0, 0.0 2,-0.9 0, 0.0 -6,-0.3 -0.371 31.7-127.3 -62.8 138.2 -7.1 -6.2 44.6 77 82 A N > - 0 0 27 -8,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.790 21.7-166.6 -83.7 106.0 -3.7 -7.6 45.3 78 83 A E H > S+ 0 0 133 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.836 85.8 54.3 -69.1 -32.3 -1.9 -4.5 46.7 79 84 A K H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.8 46.9 -59.9 -43.8 1.6 -6.1 46.4 80 85 A Y H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.945 112.8 46.7 -66.3 -52.1 0.8 -6.8 42.7 81 86 A L H X S+ 0 0 25 -4,-2.6 4,-2.8 -12,-0.2 -1,-0.2 0.925 113.5 50.0 -51.8 -51.5 -0.5 -3.3 42.0 82 87 A A H X S+ 0 0 53 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.902 112.7 45.4 -56.4 -46.1 2.5 -1.6 43.8 83 88 A A H X S+ 0 0 19 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.931 115.3 46.7 -70.2 -41.4 5.1 -3.7 41.9 84 89 A V H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 3,-0.3 0.903 104.2 62.5 -65.6 -40.1 3.4 -3.2 38.5 85 90 A R H X S+ 0 0 61 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.867 100.9 52.8 -50.2 -45.2 3.0 0.5 39.2 86 91 A K H X S+ 0 0 124 -4,-1.4 4,-1.4 -3,-0.2 -1,-0.2 0.872 111.7 45.0 -63.3 -36.6 6.8 0.9 39.3 87 92 A R H X S+ 0 0 29 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.815 111.4 52.4 -74.4 -34.8 7.3 -0.8 35.9 88 93 A F H X S+ 0 0 29 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.958 107.8 52.7 -65.1 -45.0 4.4 1.2 34.4 89 94 A S H X S+ 0 0 23 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.891 110.1 48.0 -51.2 -44.4 6.1 4.4 35.6 90 95 A R H X S+ 0 0 79 -4,-1.4 4,-3.1 1,-0.2 3,-0.3 0.876 104.7 60.7 -67.4 -35.8 9.4 3.3 33.9 91 96 A W H X S+ 0 0 19 -4,-2.0 4,-2.9 1,-0.3 5,-0.2 0.833 97.1 58.6 -62.2 -34.7 7.4 2.5 30.7 92 97 A I H X S+ 0 0 0 -4,-1.6 4,-1.1 -3,-0.2 -1,-0.3 0.921 112.6 40.3 -58.4 -44.4 6.4 6.1 30.4 93 98 A L H X S+ 0 0 40 -4,-1.1 4,-2.7 -3,-0.3 5,-0.3 0.927 114.0 52.3 -71.6 -44.6 10.1 7.0 30.3 94 99 A D H X S+ 0 0 8 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.913 106.9 53.2 -58.1 -44.2 11.1 4.1 28.1 95 100 A T H < S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 118.4 37.0 -59.3 -38.6 8.4 5.0 25.5 96 101 A S H < S+ 0 0 5 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.831 128.2 29.6 -79.8 -33.4 9.8 8.6 25.4 97 102 A N H < S+ 0 0 89 -4,-2.7 2,-0.2 -5,-0.1 -3,-0.2 0.658 93.4 91.0-109.9 -25.1 13.6 7.9 25.8 98 103 A R S < S- 0 0 80 -4,-2.3 2,-0.3 -5,-0.3 -60,-0.0 -0.538 74.8-118.9 -75.4 142.6 14.5 4.5 24.3 99 104 A S - 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