==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-SEP-07 2R7A . COMPND 2 MOLECULE: BACTERIAL HEME BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA DYSENTERIAE; . AUTHOR W.W.HO,H.LI,T.L.POULOS . 1021 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 714 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.3 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 . 2 0.2 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 . 59 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 9 3 1 4 2 10 0 0 4 0 3 1 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 3 9 8 4 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 . 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 5 0 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 23 A A 0 0 69 0, 0.0 3,-0.2 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 -31.5 9.7 25.9 -40.4 2 24 A E + 0 0 133 1,-0.3 2,-0.6 20,-0.0 0, 0.0 0.846 360.0 33.4 -92.8 -46.7 5.9 26.4 -40.4 3 25 A R S S- 0 0 84 21,-0.1 57,-2.9 55,-0.1 58,-1.6 -0.950 81.7-173.1-114.8 112.6 4.9 22.8 -40.4 4 26 A I E -ab 24 61A 0 19,-4.2 21,-3.0 -2,-0.6 22,-1.3 -0.895 18.8-163.9-117.3 137.8 7.3 20.6 -38.4 5 27 A V E -ab 26 62A 2 56,-2.1 58,-2.4 -2,-0.4 2,-0.5 -0.957 16.6-159.5-112.2 128.3 7.6 16.8 -38.0 6 28 A V E -ab 27 63A 0 20,-2.5 22,-1.0 -2,-0.5 2,-0.6 -0.940 11.5-169.8-116.5 128.0 9.8 15.7 -35.1 7 29 A A E + b 0 64A 3 56,-2.9 58,-0.7 -2,-0.5 2,-0.1 -0.869 62.7 61.3-116.7 97.6 11.4 12.3 -34.7 8 30 A G S >> S- 0 0 0 -2,-0.6 4,-2.1 56,-0.2 3,-0.9 -0.057 71.9-133.1 146.6 104.9 12.9 11.9 -31.3 9 31 A G H 3> S+ 0 0 11 1,-0.3 4,-1.8 2,-0.2 24,-0.2 0.844 106.1 43.4 -41.3 -56.7 11.0 12.1 -28.0 10 32 A S H 3> S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.759 110.8 57.6 -67.1 -24.7 13.3 14.4 -26.1 11 33 A L H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.916 105.5 49.9 -70.8 -41.8 13.6 16.6 -29.3 12 34 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.893 110.1 51.1 -61.7 -41.6 9.8 17.1 -29.3 13 35 A E H X S+ 0 0 15 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.920 109.1 50.4 -62.6 -43.8 9.9 18.1 -25.6 14 36 A L H X S+ 0 0 3 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.900 108.5 52.6 -60.9 -43.0 12.7 20.6 -26.2 15 37 A I H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 6,-0.3 0.896 113.1 43.2 -61.0 -42.4 10.8 22.2 -29.1 16 38 A Y H ><5S+ 0 0 39 -4,-1.9 3,-1.5 4,-0.2 5,-0.4 0.860 110.3 56.4 -72.2 -35.5 7.6 22.6 -27.0 17 39 A A H 3<5S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.724 105.2 53.1 -68.6 -20.4 9.7 23.9 -24.0 18 40 A M T 3<5S- 0 0 2 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.317 122.6-105.1 -96.1 7.9 11.1 26.6 -26.2 19 41 A G T < 5S+ 0 0 48 -3,-1.5 3,-0.3 -5,-0.1 -3,-0.2 0.559 94.7 106.3 83.8 10.2 7.6 27.8 -27.3 20 42 A A > < + 0 0 0 -5,-2.2 3,-1.7 -6,-0.2 4,-0.3 0.229 36.0 113.1-104.7 14.4 7.6 26.4 -30.8 21 43 A G G > + 0 0 13 -5,-0.4 3,-0.7 -6,-0.3 -1,-0.2 0.652 64.9 74.5 -59.3 -13.8 5.1 23.5 -30.1 22 44 A E G 3 S+ 0 0 162 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.843 91.1 53.0 -67.3 -35.4 2.7 25.4 -32.3 23 45 A R G < S+ 0 0 42 -3,-1.7 -19,-4.2 -20,-0.1 2,-0.5 0.470 81.5 108.6 -82.5 -2.9 4.5 24.3 -35.5 24 46 A V E < +a 4 0A 9 -3,-0.7 -19,-0.2 -4,-0.3 3,-0.1 -0.660 29.8 162.4 -83.4 121.1 4.6 20.6 -34.8 25 47 A V E + 0 0 25 -21,-3.0 2,-0.3 -2,-0.5 -20,-0.2 0.572 67.5 19.8-109.1 -18.0 2.2 18.6 -37.1 26 48 A G E -a 5 0A 0 -22,-1.3 -20,-2.5 14,-0.1 -1,-0.3 -0.994 60.2-175.6-153.8 148.2 3.7 15.1 -36.5 27 49 A V E -ac 6 42A 1 14,-2.0 16,-2.3 -2,-0.3 -20,-0.2 -0.874 26.7-101.4-137.5 171.5 5.9 13.3 -34.0 28 50 A D > - 0 0 2 -22,-1.0 3,-1.8 -2,-0.3 17,-0.2 -0.352 37.5 -96.1 -93.9 175.5 7.4 9.9 -33.7 29 51 A E T 3 S+ 0 0 82 15,-1.4 16,-0.2 14,-0.5 15,-0.1 0.768 120.6 58.7 -57.8 -31.8 6.5 6.8 -31.7 30 52 A T T 3 S+ 0 0 39 14,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.525 84.2 100.5 -80.0 -3.9 8.9 7.7 -28.8 31 53 A T < + 0 0 3 -3,-1.8 -4,-0.1 1,-0.1 -21,-0.1 -0.731 29.2 142.0 -86.4 124.1 7.1 11.0 -28.3 32 54 A S + 0 0 66 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.213 44.5 104.4-142.1 10.0 4.7 10.8 -25.4 33 55 A Y + 0 0 93 -24,-0.2 -1,-0.3 4,-0.1 -21,-0.0 -0.978 55.8 33.3-157.4 146.5 5.1 14.3 -23.9 34 56 A P S > S- 0 0 13 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.589 81.2-120.0 -73.4 178.4 3.9 17.0 -23.6 35 57 A P G > S+ 0 0 88 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.803 106.4 68.4 -53.2 -37.0 0.1 16.1 -23.5 36 58 A E G > S+ 0 0 92 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.712 89.9 65.0 -58.6 -21.8 -0.8 18.2 -26.5 37 59 A T G X S+ 0 0 1 -3,-1.7 3,-1.3 1,-0.2 -1,-0.3 0.644 80.3 80.8 -78.3 -12.7 1.2 15.8 -28.7 38 60 A A G < S+ 0 0 52 -3,-1.9 519,-0.4 -4,-0.3 -1,-0.2 0.792 90.2 51.8 -63.9 -28.1 -1.2 12.9 -28.0 39 61 A K G < S+ 0 0 84 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.552 94.1 95.9 -86.2 -4.8 -3.6 14.1 -30.6 40 62 A L S < S- 0 0 26 -3,-1.3 517,-0.4 -4,-0.2 2,-0.2 -0.472 86.7 -97.1 -87.0 154.3 -1.0 14.4 -33.3 41 63 A P - 0 0 22 0, 0.0 -14,-2.0 0, 0.0 2,-0.4 -0.471 39.4-147.2 -67.6 136.0 -0.3 11.7 -36.0 42 64 A H B -cD 27 555A 9 513,-2.9 513,-0.5 -16,-0.2 -14,-0.3 -0.889 7.7-157.7-108.2 138.3 2.7 9.6 -34.9 43 65 A I - 0 0 18 -16,-2.3 -14,-0.5 -2,-0.4 3,-0.1 -0.394 38.9 -70.7 -97.7-177.1 5.1 8.1 -37.5 44 66 A G S S- 0 0 19 -16,-0.2 -15,-1.4 4,-0.2 -1,-0.3 0.191 71.7 -56.9 -64.2-171.1 7.2 5.0 -36.8 45 67 A Y > - 0 0 80 3,-0.3 3,-1.6 -17,-0.2 -1,-0.2 -0.362 58.3-107.8 -63.4 150.1 10.2 4.7 -34.5 46 68 A W T 3 S+ 0 0 15 1,-0.3 23,-1.5 2,-0.2 3,-0.3 0.679 124.8 45.8 -59.9 -13.2 12.9 7.3 -35.4 47 69 A K T 3 S+ 0 0 105 21,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.578 116.1 45.3 -99.9 -15.0 14.9 4.3 -36.7 48 70 A Q S < S+ 0 0 142 -3,-1.6 -3,-0.3 22,-0.0 -1,-0.2 -0.352 85.7 172.2-121.6 48.1 11.9 2.9 -38.6 49 71 A L - 0 0 10 20,-2.7 2,-0.6 -3,-0.3 3,-0.1 -0.247 26.9-139.8 -62.3 144.1 10.6 6.1 -40.1 50 72 A S > - 0 0 30 1,-0.2 4,-2.6 -6,-0.1 5,-0.2 -0.920 7.3-163.8-109.4 110.1 7.8 6.1 -42.7 51 73 A S H > S+ 0 0 18 -2,-0.6 4,-3.8 1,-0.2 5,-0.2 0.882 94.9 49.6 -58.3 -39.0 8.3 8.5 -45.5 52 74 A E H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 109.4 50.3 -66.0 -45.3 4.6 8.2 -46.4 53 75 A G H 4 S+ 0 0 6 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.933 119.3 39.0 -58.0 -44.6 3.6 8.8 -42.8 54 76 A I H >< S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.954 115.7 48.7 -70.2 -53.7 5.8 11.9 -42.8 55 77 A L H >< S+ 0 0 51 -4,-3.8 3,-2.4 1,-0.3 -3,-0.2 0.834 99.9 66.0 -59.0 -34.3 5.1 13.2 -46.3 56 78 A S T 3< S+ 0 0 54 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.737 95.3 60.6 -61.4 -19.5 1.3 12.9 -45.9 57 79 A L T < S- 0 0 21 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.418 105.1-131.7 -87.9 1.6 1.6 15.6 -43.3 58 80 A R < - 0 0 192 -3,-2.4 2,-0.2 1,-0.1 -3,-0.1 0.944 35.6-170.1 47.3 61.5 3.1 18.1 -45.8 59 81 A P - 0 0 12 0, 0.0 -55,-0.2 0, 0.0 -1,-0.1 -0.541 30.0-155.4 -85.0 150.0 6.0 19.2 -43.5 60 82 A D S S+ 0 0 68 -57,-2.9 23,-2.1 1,-0.3 2,-0.3 0.793 83.9 10.1 -86.1 -34.1 8.3 22.1 -44.3 61 83 A S E -be 4 83A 3 -58,-1.6 -56,-2.1 21,-0.2 2,-0.4 -0.987 60.1-148.2-147.4 153.8 11.0 20.5 -42.1 62 84 A V E -be 5 84A 0 21,-3.2 23,-3.5 -2,-0.3 2,-0.5 -0.983 14.6-164.4-122.0 133.2 11.8 17.3 -40.4 63 85 A I E +be 6 85A 0 -58,-2.4 -56,-2.9 -2,-0.4 2,-0.3 -0.983 30.1 124.3-122.3 121.8 13.9 17.4 -37.2 64 86 A T E -be 7 86A 0 21,-2.7 23,-1.9 -2,-0.5 -56,-0.2 -0.908 55.2 -62.4-159.0-175.3 15.5 14.2 -35.9 65 87 A W E > - e 0 87A 19 -58,-0.7 3,-1.4 21,-0.3 -57,-0.0 -0.394 37.3-123.1 -79.3 156.2 18.7 12.4 -34.8 66 88 A Q T 3 S+ 0 0 119 21,-2.2 -1,-0.1 1,-0.3 20,-0.0 0.777 114.7 54.8 -69.8 -25.3 21.7 11.7 -37.0 67 89 A D T 3 S+ 0 0 54 20,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.194 86.1 115.3 -92.9 18.3 21.3 8.0 -36.2 68 90 A A < + 0 0 7 -3,-1.4 -21,-0.3 -61,-0.1 6,-0.1 -0.594 54.4 8.6 -86.7 148.7 17.7 8.1 -37.3 69 91 A G S S- 0 0 8 -23,-1.5 -20,-2.7 -2,-0.2 2,-0.2 -0.886 76.5 -70.7-163.1-165.3 16.6 6.1 -40.4 70 92 A P >> - 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0 0 12 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.820 48.4-122.2 -94.6 131.3 11.8 18.8 -47.2 83 105 A N E -e 61 0A 93 -23,-2.1 -21,-3.2 -2,-0.5 2,-0.6 -0.641 27.8-160.6 -74.7 120.1 14.4 20.4 -45.0 84 106 A V E -e 62 0A 10 -2,-0.5 2,-0.5 -23,-0.2 -21,-0.2 -0.918 6.1-169.4-108.9 113.9 15.9 17.6 -42.8 85 107 A V E -e 63 0A 15 -23,-3.5 -21,-2.7 -2,-0.6 2,-0.4 -0.898 6.8-172.8-103.6 121.7 17.6 18.8 -39.7 86 108 A T E -e 64 0A 37 -2,-0.5 -21,-0.3 -23,-0.2 -20,-0.1 -0.940 4.1-162.9-119.5 139.0 19.7 16.1 -37.8 87 109 A L E -e 65 0A 0 -23,-1.9 -21,-2.2 -2,-0.4 -20,-0.3 -0.908 29.9-102.3-121.0 148.2 21.4 16.4 -34.5 88 110 A P + 0 0 30 0, 0.0 12,-0.1 0, 0.0 -23,-0.0 -0.482 36.5 178.3 -66.4 128.6 24.1 14.3 -32.8 89 111 A R + 0 0 52 1,-0.3 4,-0.1 -2,-0.2 7,-0.1 0.828 41.9 86.5-100.6 -43.5 22.5 12.0 -30.2 90 112 A V + 0 0 53 2,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.909 68.7 36.7-129.8 156.9 25.4 10.0 -28.8 91 113 A P S S- 0 0 83 0, 0.0 2,-0.6 0, 0.0 68,-0.2 0.510 90.1-133.1 -69.7 148.4 27.4 9.8 -26.9 92 114 A A + 0 0 10 66,-1.7 2,-0.3 -2,-0.1 66,-0.2 -0.606 42.2 149.2 -77.4 114.2 25.1 11.6 -24.5 93 115 A T > - 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