==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME BINDING PROTEIN 06-JUN-07 2Q7A . COMPND 2 MOLECULE: CELL SURFACE HEME-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR R.ARANDA IV,C.E.WORLEY,E.BITTO,G.N.PHILLIPS JR. . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 40.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 3 2 0 1 9 1 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 1 0 1 0 0 1 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 29 A M 0 0 135 0, 0.0 150,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 147.4 23.5 -22.3 -23.0 2 30 A D B -a 151 0A 66 148,-2.8 150,-2.1 1,-0.1 2,-0.1 -0.622 360.0 -99.7-116.7 157.6 27.1 -22.7 -24.1 3 31 A K S S+ 0 0 168 -2,-0.2 50,-2.9 148,-0.2 51,-0.5 -0.479 71.2 93.4 -66.3 141.9 30.4 -24.0 -22.9 4 32 A G E -B 52 0B 21 48,-0.3 2,-0.4 148,-0.3 48,-0.3 -0.973 67.3 -54.1 169.8-150.0 32.7 -21.2 -21.8 5 33 A Q E -B 51 0B 65 46,-3.2 46,-2.9 -2,-0.3 2,-0.5 -0.940 24.1-154.8-128.4 142.7 34.0 -19.1 -18.8 6 34 A I E -B 50 0B 42 -2,-0.4 136,-0.8 134,-0.3 2,-0.3 -0.967 23.6-171.4-116.8 112.6 32.3 -17.1 -16.1 7 35 A Y E -B 49 0B 51 42,-3.6 42,-2.9 -2,-0.5 2,-0.3 -0.749 25.1-128.6-100.5 149.5 34.6 -14.4 -14.7 8 36 A G E -BC 48 139B 6 131,-2.2 131,-3.1 -2,-0.3 2,-0.3 -0.731 37.8-169.1 -77.6 143.6 34.3 -12.0 -11.8 9 37 A S E -B 47 0B 1 38,-2.1 38,-2.5 -2,-0.3 2,-0.5 -0.971 23.4-132.5-135.8 152.5 34.9 -8.5 -13.1 10 38 A I E -BC 46 136B 38 126,-2.3 126,-2.2 -2,-0.3 2,-0.5 -0.931 26.0-137.7-100.8 127.8 35.5 -5.0 -11.6 11 39 A I E - C 0 135B 3 34,-3.2 2,-0.7 -2,-0.5 124,-0.2 -0.764 5.1-142.3 -85.0 125.8 33.4 -2.3 -13.2 12 40 A Q E - C 0 134B 70 122,-2.9 122,-1.1 -2,-0.5 2,-0.5 -0.823 21.0-156.5 -80.1 117.2 35.2 1.0 -13.9 13 41 A R E - C 0 133B 57 -2,-0.7 2,-0.4 120,-0.2 120,-0.2 -0.881 13.8-172.4-103.1 123.6 32.5 3.6 -13.1 14 42 A N E + C 0 132B 38 118,-3.1 118,-2.7 -2,-0.5 3,-0.1 -0.961 37.3 176.2-130.9 126.9 32.9 6.9 -14.8 15 43 A Y S S+ 0 0 8 -2,-0.4 2,-0.5 116,-0.2 9,-0.4 0.758 92.1 50.7 -79.0 -34.1 31.3 10.4 -14.7 16 44 A R S S- 0 0 68 7,-0.1 7,-0.2 -3,-0.1 -1,-0.2 -0.926 102.1-109.3-108.2 128.6 34.0 11.4 -17.2 17 45 A H > - 0 0 5 5,-2.6 4,-1.8 -2,-0.5 5,-0.1 -0.346 25.3-140.7 -56.0 126.3 34.6 9.4 -20.3 18 46 A P T 4 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.604 94.5 34.9 -71.8 -11.0 37.9 7.7 -19.8 19 47 A I T 4 S+ 0 0 102 61,-0.1 62,-0.1 3,-0.1 -2,-0.1 0.798 127.4 31.3-107.3 -45.9 39.1 8.1 -23.4 20 48 A S T 4 S- 0 0 62 2,-0.2 3,-0.1 60,-0.1 -3,-0.0 0.680 91.4-136.6 -87.5 -21.3 37.7 11.4 -24.5 21 49 A G < + 0 0 26 -4,-1.8 2,-0.4 1,-0.3 -1,-0.0 0.613 58.9 134.9 71.1 13.7 37.8 13.1 -21.1 22 50 A Q - 0 0 120 -5,-0.1 -5,-2.6 -6,-0.1 2,-0.5 -0.759 50.1-145.4-101.5 141.3 34.4 14.5 -21.7 23 51 A I - 0 0 24 -2,-0.4 -7,-0.1 -7,-0.2 6,-0.1 -0.915 12.9-176.9 -98.4 122.9 31.4 14.6 -19.3 24 52 A E + 0 0 79 -2,-0.5 -1,-0.1 -9,-0.4 107,-0.1 0.710 53.7 101.7 -91.5 -26.3 28.0 14.2 -21.0 25 53 A D S > S- 0 0 6 105,-0.5 3,-2.1 -10,-0.4 104,-0.1 -0.342 84.8-119.6 -58.1 140.2 26.0 14.6 -17.9 26 54 A S T 3 S+ 0 0 92 102,-0.4 -1,-0.1 1,-0.3 103,-0.1 0.636 107.0 76.8 -61.8 -13.5 24.4 18.1 -17.6 27 55 A G T 3 S- 0 0 8 1,-0.1 -1,-0.3 4,-0.1 4,-0.3 0.806 82.5-178.9 -65.6 -31.4 26.3 18.6 -14.4 28 56 A G X - 0 0 20 -3,-2.1 3,-1.5 1,-0.2 7,-0.2 0.004 44.7 -34.0 65.5-166.0 29.5 19.2 -16.4 29 57 A E G > S+ 0 0 107 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.853 130.5 59.5 -60.5 -42.4 33.1 19.9 -15.2 30 58 A H G 3 S+ 0 0 174 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.552 107.4 49.1 -68.0 -7.0 32.2 21.9 -12.1 31 59 A S G <> S+ 0 0 23 -3,-1.5 4,-2.9 -4,-0.3 -1,-0.3 0.103 72.8 117.9-117.3 18.7 30.3 18.9 -10.8 32 60 A F H <> S+ 0 0 60 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.894 74.0 49.5 -57.7 -46.4 32.9 16.2 -11.2 33 61 A D H > S+ 0 0 139 2,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.931 117.1 39.3 -63.3 -48.6 33.3 15.3 -7.6 34 62 A I H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 117.3 51.4 -66.7 -42.4 29.6 14.9 -6.8 35 63 A G H X S+ 0 0 7 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.900 110.1 47.8 -59.0 -47.1 29.0 13.2 -10.2 36 64 A Q H X S+ 0 0 23 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.920 112.9 48.4 -61.2 -46.5 31.7 10.7 -9.8 37 65 A G H X S+ 0 0 34 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.858 109.7 54.7 -58.9 -37.7 30.5 9.8 -6.2 38 66 A M H X S+ 0 0 94 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.914 108.7 45.8 -65.8 -45.2 27.0 9.5 -7.6 39 67 A V H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 3,-0.4 0.911 115.2 48.3 -60.7 -43.5 28.0 7.0 -10.3 40 68 A E H < S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 111.6 49.4 -65.4 -41.4 30.0 5.0 -7.6 41 69 A G H < S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.691 116.4 43.3 -68.9 -19.5 27.1 5.1 -5.2 42 70 A T H < S+ 0 0 18 -4,-1.1 22,-3.9 -3,-0.4 2,-0.5 0.835 110.1 51.3 -96.1 -39.5 24.7 3.9 -7.8 43 71 A V B < S-D 63 0B 2 -4,-2.4 20,-0.2 20,-0.2 -1,-0.2 -0.898 79.8-128.9-110.5 125.9 26.6 1.1 -9.6 44 72 A Y - 0 0 84 18,-2.4 18,-0.3 -2,-0.5 -33,-0.1 -0.403 10.5-139.1 -67.3 144.3 28.3 -1.8 -7.7 45 73 A S S S+ 0 0 40 -35,-0.1 -34,-3.2 -2,-0.1 2,-0.4 0.841 81.9 81.2 -75.3 -31.0 31.9 -2.4 -8.6 46 74 A D E +B 10 0B 107 -36,-0.2 16,-0.4 -38,-0.1 2,-0.2 -0.612 60.8 155.9 -82.6 130.2 31.6 -6.2 -8.6 47 75 A A E -B 9 0B 2 -38,-2.5 -38,-2.1 -2,-0.4 2,-0.4 -0.801 37.4-111.9-142.4 179.7 30.2 -7.7 -11.7 48 76 A M E -BE 8 60B 5 12,-2.4 12,-2.9 -2,-0.2 2,-0.5 -0.977 18.3-166.0-125.2 133.5 30.0 -10.9 -13.8 49 77 A L E -BE 7 59B 0 -42,-2.9 -42,-3.6 -2,-0.4 2,-0.5 -0.963 5.9-165.7-122.4 115.4 31.5 -11.5 -17.3 50 78 A E E -BE 6 58B 0 8,-2.9 8,-2.3 -2,-0.5 2,-0.4 -0.856 7.0-179.4-100.4 130.2 30.4 -14.5 -19.3 51 79 A V E -BE 5 57B 37 -46,-2.9 -46,-3.2 -2,-0.5 6,-0.2 -0.966 14.5-150.9-131.5 112.1 32.4 -15.5 -22.3 52 80 A S E > -B 4 0B 2 4,-2.7 3,-1.8 -2,-0.4 -48,-0.3 -0.523 26.5-119.4 -76.7 150.6 31.3 -18.5 -24.4 53 81 A D T 3 S+ 0 0 115 -50,-2.9 -49,-0.1 1,-0.3 -1,-0.1 0.854 116.9 62.5 -56.1 -35.0 34.0 -20.6 -26.2 54 82 A A T 3 S- 0 0 91 -51,-0.5 -1,-0.3 1,-0.1 -50,-0.1 0.632 125.5-103.7 -63.8 -18.5 32.1 -19.6 -29.4 55 83 A G S < S+ 0 0 47 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.427 72.2 140.5 110.0 0.6 32.9 -15.9 -28.6 56 84 A K - 0 0 128 94,-0.0 -4,-2.7 52,-0.0 2,-0.4 -0.523 32.7-160.3 -73.2 141.9 29.6 -14.5 -27.2 57 85 A I E -EF 51 109B 19 52,-0.6 52,-1.7 -6,-0.2 2,-0.4 -0.989 13.3-177.9-128.3 132.6 30.0 -12.1 -24.2 58 86 A V E -EF 50 108B 15 -8,-2.3 -8,-2.9 -2,-0.4 2,-0.5 -0.988 8.8-161.8-129.7 124.8 27.5 -11.0 -21.6 59 87 A L E -EF 49 107B 0 48,-2.8 48,-2.2 -2,-0.4 2,-0.5 -0.916 5.0-165.5-102.0 126.8 28.3 -8.5 -18.9 60 88 A T E +EF 48 106B 0 -12,-2.9 -12,-2.4 -2,-0.5 2,-0.3 -0.960 11.2 174.8-111.9 123.5 26.0 -8.3 -15.8 61 89 A F E - F 0 105B 0 44,-2.1 44,-3.3 -2,-0.5 2,-0.5 -0.866 25.1-124.9-120.9 160.2 26.3 -5.3 -13.5 62 90 A R E - F 0 104B 42 -16,-0.4 -18,-2.4 -2,-0.3 2,-0.5 -0.910 16.2-157.0-111.4 129.0 24.2 -4.4 -10.4 63 91 A M E -DF 43 103B 0 40,-2.9 40,-1.8 -2,-0.5 3,-0.3 -0.894 4.8-159.8-104.7 125.3 22.4 -1.0 -10.0 64 92 A S S S+ 0 0 4 -22,-3.9 38,-0.1 -2,-0.5 37,-0.1 -0.402 71.2 40.0 -83.4 172.9 21.4 0.3 -6.6 65 93 A L > + 0 0 50 -2,-0.1 3,-2.0 1,-0.1 4,-0.2 0.690 62.0 148.2 64.9 25.8 18.7 3.0 -6.0 66 94 A A G > + 0 0 13 35,-1.5 3,-0.7 -3,-0.3 36,-0.1 0.706 65.5 66.5 -66.9 -21.7 16.3 1.6 -8.6 67 95 A D G 3 S+ 0 0 80 34,-0.5 -1,-0.3 32,-0.3 -2,-0.1 0.616 107.0 43.2 -67.7 -13.2 13.3 2.8 -6.5 68 96 A Y G < S+ 0 0 57 -3,-2.0 55,-2.1 55,-0.1 2,-0.3 0.339 114.6 47.6-114.4 2.5 14.6 6.4 -7.3 69 97 A S E < +G 122 0B 10 -3,-0.7 2,-0.3 53,-0.2 53,-0.2 -0.828 54.0 151.2-141.4 170.5 15.4 6.0 -11.0 70 98 A G E +G 121 0B 18 51,-1.6 51,-2.8 -2,-0.3 3,-0.1 -0.983 41.0 79.7 177.9-173.3 14.0 4.7 -14.4 71 99 A N E - 0 0 134 -2,-0.3 -1,-0.1 49,-0.2 2,-0.1 0.903 65.3-165.3 54.0 47.0 13.8 4.9 -18.1 72 100 A Y E + 0 0 28 48,-0.1 2,-0.3 -3,-0.1 48,-0.2 -0.383 13.1 175.9 -64.0 134.3 17.1 3.1 -18.4 73 101 A Q E -G 119 0B 105 46,-2.1 46,-2.2 -3,-0.1 2,-0.3 -0.992 7.8-164.8-139.1 145.8 18.8 3.2 -21.8 74 102 A F E -GH 118 87B 7 13,-0.6 13,-2.3 -2,-0.3 2,-0.3 -0.940 7.7-173.1-133.5 150.1 22.2 1.8 -22.8 75 103 A W E -GH 117 86B 46 42,-2.0 42,-2.3 -2,-0.3 2,-0.3 -0.953 16.9-137.5-134.4 152.6 24.7 2.1 -25.7 76 104 A I E -GH 116 85B 4 9,-2.9 9,-3.0 -2,-0.3 40,-0.2 -0.888 12.8-173.5-112.1 146.7 27.9 0.3 -26.6 77 105 A Q E > -G 115 0B 10 38,-2.2 38,-2.3 -2,-0.3 3,-2.1 -0.780 18.8-144.6-140.7 89.6 31.1 1.9 -27.8 78 106 A P E > S+G 114 0B 41 0, 0.0 3,-1.4 0, 0.0 36,-0.3 -0.286 86.9 7.6 -56.5 135.0 33.8 -0.7 -28.9 79 107 A G T 3 S- 0 0 29 34,-3.3 35,-0.2 1,-0.3 3,-0.1 0.408 115.9 -90.8 75.3 -3.1 37.3 0.5 -28.1 80 108 A G T < S+ 0 0 5 -3,-2.1 2,-0.3 1,-0.3 -1,-0.3 0.732 104.2 96.7 65.3 22.3 35.8 3.5 -26.2 81 109 A T < + 0 0 89 -3,-1.4 -1,-0.3 2,-0.1 34,-0.1 -0.936 63.8 20.6-134.4 160.1 36.0 5.4 -29.5 82 110 A G S S- 0 0 60 -2,-0.3 2,-0.0 -3,-0.1 -3,-0.0 -0.360 98.8 -5.5 83.7-163.3 33.6 6.2 -32.3 83 111 A S - 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