==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 21-DEC-04 1YBJ . COMPND 2 MOLECULE: HEMOPHORE HASA; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR N.WOLFF,N.IZADI-PRUNEYRE,J.COUPRIE,M.HABECK,J.LINGE, . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 64.6 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 . 39 21.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 16 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 0 0 1 0 1 1 1 0 0 0 0 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 . 3 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 1 A A 0 0 126 0, 0.0 116,-0.1 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 34.6 -9.4 8.5 -10.4 2 2 A F + 0 0 5 114,-0.3 114,-0.3 115,-0.1 2,-0.3 -0.371 360.0 149.5 -80.5 158.9 -9.1 6.7 -7.1 3 3 A S E -A 115 0A 38 112,-2.1 112,-1.6 -2,-0.1 2,-0.6 -0.942 48.8 -94.2-173.9 165.3 -10.6 3.2 -6.4 4 4 A V E -A 114 0A 10 -2,-0.3 2,-0.5 161,-0.2 110,-0.2 -0.837 28.3-156.8 -90.0 125.7 -10.2 0.1 -4.4 5 5 A N + 0 0 79 108,-2.6 2,-0.2 -2,-0.6 109,-0.2 -0.340 36.3 149.7-101.8 49.4 -8.3 -2.5 -6.4 6 6 A Y - 0 0 45 -2,-0.5 2,-0.7 106,-0.3 106,-0.2 -0.516 63.4 -94.1 -74.4 148.5 -9.6 -5.5 -4.6 7 7 A D > - 0 0 84 -2,-0.2 3,-2.0 1,-0.1 2,-1.1 -0.622 52.9-105.4 -63.3 106.6 -9.9 -8.7 -6.5 8 8 A S T 3 S+ 0 0 105 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 -0.162 112.6 64.2 -39.2 80.5 -13.6 -8.4 -7.6 9 9 A S T 3 S+ 0 0 100 -2,-1.1 -1,-0.3 0, 0.0 -2,-0.0 0.087 89.9 60.5-173.7 -29.2 -14.9 -10.9 -5.1 10 10 A F X + 0 0 62 -3,-2.0 2,-3.0 1,-0.1 3,-1.2 0.179 66.0 134.4 -94.2 15.2 -14.1 -9.3 -1.8 11 11 A G T 3 + 0 0 28 1,-0.3 -1,-0.1 -4,-0.2 153,-0.1 -0.316 56.5 64.8 -73.2 68.6 -16.3 -6.3 -2.7 12 12 A G T 3 S+ 0 0 57 -2,-3.0 2,-0.3 154,-0.1 -1,-0.3 0.250 73.1 108.0-168.3 8.6 -18.0 -6.1 0.7 13 13 A Y S < S- 0 0 59 -3,-1.2 152,-2.4 150,-0.0 2,-0.4 -0.700 71.6-118.2 -92.6 146.9 -15.3 -5.2 3.2 14 14 A S B >> -B 164 0B 39 -2,-0.3 4,-2.0 150,-0.3 3,-1.3 -0.727 35.7-121.7 -71.1 132.6 -14.8 -1.9 4.9 15 15 A I H 3> S+ 0 0 1 148,-2.5 4,-2.4 -2,-0.4 3,-0.3 0.919 113.3 46.3 -46.2 -53.3 -11.4 -0.9 3.6 16 16 A H H 3> S+ 0 0 64 145,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.748 110.1 57.8 -61.1 -24.6 -9.9 -0.7 7.1 17 17 A D H <> S+ 0 0 94 -3,-1.3 4,-1.3 144,-0.3 -1,-0.2 0.916 110.0 38.8 -77.1 -44.8 -11.5 -4.0 7.9 18 18 A Y H X S+ 0 0 13 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.900 111.9 57.9 -71.1 -42.0 -9.9 -6.1 5.2 19 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.885 104.9 52.4 -56.3 -39.8 -6.6 -4.3 5.6 20 20 A G H X S+ 0 0 34 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.3 0.895 106.8 52.5 -59.0 -42.2 -6.6 -5.4 9.2 21 21 A Q H X S+ 0 0 91 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.861 106.7 53.2 -61.9 -38.2 -7.2 -9.0 8.0 22 22 A W H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.932 108.9 48.5 -60.4 -46.4 -4.2 -8.6 5.7 23 23 A A H X S+ 0 0 23 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.776 102.7 65.2 -65.8 -26.6 -2.1 -7.5 8.7 24 24 A S H X S+ 0 0 85 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.969 109.8 35.5 -57.7 -55.5 -3.5 -10.5 10.5 25 25 A T H < S+ 0 0 45 -4,-1.6 39,-0.2 1,-0.2 6,-0.2 0.826 114.5 60.9 -65.8 -32.4 -1.7 -12.9 8.2 26 26 A F H < S+ 0 0 9 -4,-2.0 35,-0.5 1,-0.2 34,-0.3 0.921 104.4 46.7 -61.8 -47.2 1.2 -10.4 8.0 27 27 A G H < S+ 0 0 48 -4,-2.7 2,-0.8 114,-0.1 -1,-0.2 0.799 90.4 92.7 -66.9 -30.7 1.9 -10.7 11.7 28 28 A D >< - 0 0 65 -4,-1.1 3,-1.3 -5,-0.2 33,-0.1 -0.553 59.5-164.6 -75.3 109.0 1.8 -14.5 11.8 29 29 A V T 3 S+ 0 0 92 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.771 85.8 50.6 -64.5 -29.4 5.3 -15.7 11.3 30 30 A N T 3 S+ 0 0 116 2,-0.1 2,-0.7 0, 0.0 -1,-0.3 0.408 78.0 122.2 -94.9 1.5 4.3 -19.3 10.5 31 31 A H < + 0 0 43 -3,-1.3 33,-0.2 -6,-0.2 2,-0.2 -0.548 38.6 174.1 -67.2 109.1 1.8 -18.3 7.9 32 32 A T - 0 0 121 -2,-0.7 2,-0.3 31,-0.1 31,-0.1 -0.487 20.0-144.4-102.9-177.6 2.8 -20.0 4.6 33 33 A N > - 0 0 39 3,-0.2 3,-1.8 -2,-0.2 -2,-0.0 -0.898 11.6-151.5-155.4 121.0 1.0 -20.1 1.3 34 34 A G T 3 S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.576 101.1 57.2 -68.4 -8.1 0.9 -23.0 -1.2 35 35 A N T 3 S+ 0 0 114 2,-0.0 2,-0.7 1,-0.0 -1,-0.3 0.478 89.5 89.9 -98.3 -5.9 0.4 -20.5 -4.0 36 36 A V < + 0 0 28 -3,-1.8 -3,-0.2 1,-0.2 60,-0.1 -0.844 40.5 151.1-102.2 114.4 3.6 -18.7 -3.1 37 37 A T S S+ 0 0 122 -2,-0.7 -1,-0.2 59,-0.1 60,-0.1 0.836 73.7 23.7-100.2 -73.5 6.8 -20.0 -4.8 38 38 A D S S- 0 0 107 58,-0.1 60,-0.2 2,-0.0 -2,-0.1 0.960 76.9-166.7 -65.7 -57.1 9.4 -17.3 -5.2 39 39 A A - 0 0 31 58,-0.8 2,-0.3 1,-0.1 59,-0.2 0.999 8.9-157.3 62.5 73.5 8.3 -14.9 -2.4 40 40 A N B -C 97 0C 27 57,-2.5 57,-0.5 66,-0.2 -1,-0.1 -0.646 11.8-149.9 -84.6 135.0 10.2 -11.8 -3.2 41 41 A S - 0 0 59 -2,-0.3 16,-1.1 1,-0.2 2,-0.5 0.863 33.1-137.8 -74.9 -40.3 10.7 -9.3 -0.3 42 42 A G B +D 56 0C 13 14,-0.2 -1,-0.2 1,-0.2 14,-0.2 -0.965 33.1 177.7 124.8-125.0 10.8 -6.2 -2.4 43 43 A G - 0 0 51 12,-2.2 -1,-0.2 -2,-0.5 4,-0.1 0.968 66.4 -63.1 77.6 59.8 13.2 -3.3 -2.0 44 44 A F - 0 0 45 11,-0.4 10,-0.2 2,-0.1 61,-0.1 0.120 42.8-142.5 60.6-178.4 12.2 -1.0 -4.8 45 45 A Y S S+ 0 0 114 8,-0.7 2,-1.1 59,-0.1 9,-0.1 0.304 88.1 37.1-142.0 -69.2 12.4 -1.7 -8.5 46 46 A G S S+ 0 0 40 7,-0.1 6,-0.3 3,-0.1 2,-0.2 -0.388 119.7 32.9 -91.2 55.8 13.4 1.3 -10.6 47 47 A G - 0 0 31 -2,-1.1 4,-0.2 4,-0.2 6,-0.0 -0.847 69.6-123.2 168.4 157.1 15.8 2.7 -8.1 48 48 A S S S- 0 0 107 2,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.774 109.5 -23.5 -82.1 -27.9 18.4 2.0 -5.4 49 49 A L S S+ 0 0 61 1,-0.6 2,-0.3 -3,-0.1 24,-0.1 0.370 137.7 45.7-154.7 -40.9 16.5 4.1 -2.9 50 50 A S S S+ 0 0 51 23,-0.2 -1,-0.6 24,-0.1 -2,-0.3 -0.900 76.8 81.8-116.0 148.3 14.5 6.5 -5.0 51 51 A G S S- 0 0 19 -2,-0.3 21,-2.0 21,-0.2 -4,-0.2 -0.946 82.7 -43.1 163.8-137.8 12.4 5.7 -8.0 52 52 A S S S+ 0 0 52 -2,-0.3 18,-3.0 -6,-0.3 2,-0.3 0.924 103.3 33.9 -94.7 -57.9 9.0 4.4 -9.0 53 53 A Q E - E 0 69C 27 16,-0.2 -8,-0.7 -3,-0.1 2,-0.3 -0.730 47.1-172.0-114.8 152.2 8.0 1.4 -6.9 54 54 A Y E - E 0 68C 7 14,-2.8 14,-1.5 -2,-0.3 2,-0.3 -0.777 14.2-177.9-145.1 94.8 8.6 0.2 -3.3 55 55 A A E - E 0 67C 1 -2,-0.3 -12,-2.2 12,-0.2 -11,-0.4 -0.657 2.3-172.4 -95.4 151.4 7.5 -3.3 -2.4 56 56 A I E -DE 42 66C 36 10,-3.0 10,-2.0 -2,-0.3 2,-0.4 -0.989 7.2-162.5-146.4 129.4 7.6 -4.9 1.0 57 57 A S E - E 0 65C 6 -16,-1.1 8,-0.3 -2,-0.3 7,-0.1 -0.888 46.2 -78.2-112.9 147.3 7.0 -8.4 2.2 58 58 A S > - 0 0 0 6,-2.2 4,-2.6 -2,-0.4 82,-0.1 -0.130 29.5-152.3 -45.6 117.4 6.4 -9.4 5.8 59 59 A T T 4 S+ 0 0 111 80,-0.5 -1,-0.2 1,-0.2 81,-0.1 0.661 96.3 56.1 -65.2 -12.9 9.6 -9.5 7.7 60 60 A A T 4 S- 0 0 42 -34,-0.3 -1,-0.2 4,-0.1 -33,-0.1 0.958 133.2 -2.2 -80.7 -60.7 7.8 -12.1 9.9 61 61 A N T 4 S- 0 0 25 -35,-0.5 -2,-0.2 3,-0.1 -3,-0.1 0.407 84.5-137.8-115.5 -0.7 6.7 -14.7 7.4 62 62 A Q S < S+ 0 0 96 -4,-2.6 -3,-0.1 2,-0.1 3,-0.1 0.750 85.8 80.8 33.8 42.3 8.0 -13.1 4.2 63 63 A V + 0 0 5 1,-0.2 33,-3.5 -37,-0.1 2,-0.7 0.551 65.7 78.4-121.8 -54.0 4.9 -14.0 2.3 64 64 A T E S+ F 0 95C 0 31,-0.3 -6,-2.2 -39,-0.2 31,-0.2 -0.397 73.7 172.3 -64.2 103.9 2.3 -11.4 3.3 65 65 A A E -EF 57 94C 0 29,-2.7 29,-1.6 -2,-0.7 2,-0.3 -0.430 31.8-149.6-115.0-177.0 3.5 -8.5 1.1 66 66 A F E -EF 56 93C 0 -10,-2.0 -10,-3.0 27,-0.2 2,-0.7 -0.919 7.7-152.4-159.8 120.2 2.6 -5.0 -0.1 67 67 A V E -E 55 0C 17 25,-3.2 2,-0.3 -2,-0.3 -12,-0.2 -0.884 17.4-173.1-102.5 109.2 3.5 -3.4 -3.4 68 68 A A E +E 54 0C 0 -14,-1.5 -14,-2.8 -2,-0.7 2,-0.3 -0.737 5.2 177.4 -97.2 151.6 3.7 0.4 -3.2 69 69 A G E +EG 53 90C 16 21,-1.7 20,-1.9 -2,-0.3 21,-1.6 -0.964 23.4 96.2-157.3 139.6 4.2 2.6 -6.3 70 70 A G E S- G 0 88C 24 -18,-3.0 18,-0.3 -2,-0.3 2,-0.1 -0.574 81.9 -46.3-174.0-117.9 4.4 6.4 -7.0 71 71 A N E - G 0 87C 108 16,-1.6 16,-1.9 -2,-0.2 -19,-0.2 -0.562 68.2-174.4-145.9 73.1 7.2 8.9 -7.5 72 72 A L E - G 0 86C 4 -21,-2.0 2,-0.3 14,-0.3 14,-0.3 -0.188 19.4-176.1 -83.3 161.1 9.7 8.2 -4.7 73 73 A T E - G 0 85C 39 12,-1.6 12,-1.5 -23,-0.2 2,-0.7 -0.895 17.4-145.4-155.7 121.6 12.8 9.9 -3.5 74 74 A Y E - G 0 84C 50 -2,-0.3 2,-1.5 10,-0.2 3,-0.4 -0.815 12.1-147.9 -94.8 116.9 15.0 8.7 -0.6 75 75 A T + 0 0 0 8,-2.1 7,-1.4 -2,-0.7 6,-0.5 -0.230 48.4 134.7 -81.9 47.6 16.5 11.6 1.3 76 76 A L S S+ 0 0 42 -2,-1.5 -1,-0.2 5,-0.3 8,-0.0 0.983 90.4 18.8 -60.0 -57.7 19.9 10.2 2.4 77 77 A F S S+ 0 0 188 -3,-0.4 -1,-0.2 4,-0.1 -2,-0.1 0.424 117.6 98.5 -89.9 1.7 22.0 13.2 1.4 78 78 A N S S- 0 0 61 -4,-0.1 3,-0.1 5,-0.1 4,-0.1 -0.187 90.9 -86.0 -89.0 179.1 18.8 15.3 1.4 79 79 A E S S+ 0 0 160 1,-0.2 45,-0.1 2,-0.1 44,-0.0 0.925 122.7 40.0 -53.3 -67.8 17.3 17.7 4.0 80 80 A P S S- 0 0 43 0, 0.0 -1,-0.2 0, 0.0 47,-0.1 0.793 107.8-138.1 -56.7 -28.2 15.1 15.3 6.3 81 81 A A + 0 0 50 -6,-0.5 -5,-0.3 -3,-0.1 -4,-0.1 0.822 68.7 8.6 72.4 115.4 18.0 12.8 6.0 82 82 A H S S+ 0 0 131 -7,-1.4 2,-0.2 1,-0.2 -6,-0.2 0.913 104.3 119.2 54.0 51.4 17.5 9.1 5.5 83 83 A T - 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