==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-MAR-10 3M8U . COMPND 2 MOLECULE: HEME-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS PARASUIS; . AUTHOR B.VERGAUWEN,J.ELEGHEERT,A.DANSERCOER,B.DEVREESE,S.N.SAVVIDES . 508 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 4 1 1 2 1 3 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 3 1 2 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 1 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 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 24 A D 0 0 129 0, 0.0 2,-1.2 0, 0.0 211,-0.0 0.000 360.0 360.0 360.0-110.6 18.3 10.6 -24.0 2 25 A K + 0 0 62 209,-0.1 212,-2.0 2,-0.0 211,-1.1 -0.749 360.0 170.8 -91.3 92.1 15.9 7.9 -22.9 3 26 A T E -a 214 0A 31 -2,-1.2 2,-0.5 210,-0.2 212,-0.2 -0.915 21.5-155.2-109.9 117.7 18.2 5.6 -21.0 4 27 A F E -a 215 0A 0 210,-2.7 212,-2.4 -2,-0.6 2,-0.7 -0.784 8.5-152.8 -88.4 126.5 16.7 2.7 -19.0 5 28 A I E -a 216 0A 31 -2,-0.5 231,-3.1 210,-0.2 232,-1.0 -0.903 9.8-170.3-104.6 112.7 19.0 1.6 -16.1 6 29 A N E -ab 217 237A 3 210,-3.1 212,-1.7 -2,-0.7 2,-0.6 -0.906 9.8-153.3-101.1 115.6 18.4 -2.1 -15.2 7 30 A a E -ab 218 238A 0 230,-2.7 232,-0.7 -2,-0.6 2,-0.3 -0.832 17.5-174.2 -94.3 119.2 20.2 -3.0 -12.0 8 31 A V E -a 219 0A 15 210,-2.5 212,-2.5 -2,-0.6 3,-0.0 -0.818 27.6-132.2-117.0 155.5 21.1 -6.7 -12.0 9 32 A S S S+ 0 0 10 -2,-0.3 2,-0.3 210,-0.2 210,-0.1 0.682 80.3 21.6 -86.2 -19.2 22.6 -8.8 -9.2 10 33 A R S S- 0 0 64 210,-0.1 -1,-0.1 14,-0.0 210,-0.1 -0.983 78.2-100.0-147.4 156.7 25.3 -10.7 -11.1 11 34 A S - 0 0 32 -2,-0.3 14,-0.1 1,-0.1 2,-0.1 -0.477 52.6-102.3 -68.3 144.9 27.5 -10.7 -14.2 12 35 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.426 13.9-132.9 -72.5 146.0 26.2 -13.0 -17.0 13 36 A T S S- 0 0 95 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.876 82.3 -32.2 -61.9 -36.9 27.8 -16.4 -17.6 14 37 A G - 0 0 20 1,-0.0 -1,-0.2 3,-0.0 14,-0.1 -0.981 46.1-119.8-171.6 174.8 27.9 -15.5 -21.3 15 38 A F S S+ 0 0 15 162,-0.4 163,-0.0 -2,-0.3 -1,-0.0 0.130 84.3 90.3-115.3 18.6 26.2 -13.7 -24.2 16 39 A S >> - 0 0 4 1,-0.1 3,-2.0 13,-0.1 4,-0.6 -0.911 58.3-162.9-118.0 102.3 25.5 -16.6 -26.5 17 40 A P G >4 S+ 0 0 0 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.771 86.6 60.1 -62.9 -27.2 22.1 -18.1 -25.7 18 41 A A G 34 S+ 0 0 3 1,-0.2 98,-0.3 136,-0.1 97,-0.2 0.713 107.2 48.8 -67.5 -19.1 22.7 -21.4 -27.5 19 42 A L G <4 S+ 0 0 29 -3,-2.0 93,-0.3 94,-0.2 2,-0.3 0.558 111.1 46.3-100.1 -11.1 25.7 -22.1 -25.1 20 43 A V << - 0 0 19 -4,-0.6 95,-0.3 -3,-0.6 91,-0.0 -0.802 52.1-158.8-132.2 174.8 24.0 -21.3 -21.7 21 44 A M + 0 0 51 -2,-0.3 2,-0.3 93,-0.1 -3,-0.0 -0.302 54.9 99.4-154.6 50.7 20.9 -22.0 -19.8 22 45 A D > - 0 0 15 -5,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.982 68.1-123.7-141.5 155.2 20.4 -19.4 -17.1 23 46 A G H > S+ 0 0 24 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.737 105.6 57.6 -72.4 -29.8 18.2 -16.3 -16.9 24 47 A I H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 111.9 43.9 -63.6 -47.5 20.9 -13.7 -16.1 25 48 A S H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 5,-0.2 0.935 115.3 47.5 -62.8 -47.7 22.6 -14.7 -19.3 26 49 A Y H ><>S+ 0 0 4 -4,-2.1 5,-2.5 1,-0.2 3,-1.5 0.948 110.6 51.8 -60.9 -47.9 19.4 -14.8 -21.4 27 50 A N H 3<5S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.873 111.6 48.1 -53.4 -39.0 18.2 -11.4 -20.0 28 51 A A H 3<5S+ 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.480 131.5 8.4 -85.1 -3.5 21.6 -9.9 -21.0 29 52 A S T XX>S+ 0 0 0 -3,-1.5 4,-3.0 -4,-0.6 3,-1.6 0.339 126.9 32.2-135.1 -89.4 21.6 -11.4 -24.5 30 53 A S H 3>5S+ 0 0 0 1,-0.3 4,-0.7 -5,-0.2 -3,-0.2 0.773 115.1 57.3 -55.2 -32.1 18.7 -13.2 -26.2 31 54 A Q H 34 - 0 0 93 5,-2.4 3,-1.6 -2,-0.3 5,-0.2 -0.459 54.8 -83.0 -59.9 144.0 3.2 -11.8 -26.7 42 65 A R T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.1 452,-0.1 -0.214 113.6 6.2 -54.7 138.8 4.3 -9.7 -23.8 43 66 A G T 3 S+ 0 0 44 449,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.701 119.9 91.6 64.2 22.1 3.0 -10.9 -20.4 44 67 A S S < S- 0 0 30 -3,-1.6 -1,-0.2 2,-0.1 -4,-0.0 -0.956 72.1-140.2-146.8 156.3 1.5 -13.9 -22.1 45 68 A T S S+ 0 0 68 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 0.335 72.9 112.0 -97.7 4.9 2.2 -17.6 -23.0 46 69 A D - 0 0 92 -5,-0.2 -5,-2.4 -4,-0.1 2,-0.2 -0.565 63.1-136.8 -74.2 140.9 0.4 -17.0 -26.3 47 70 A I E +G 40 0B 52 -7,-0.2 -7,-0.2 -2,-0.2 102,-0.1 -0.626 23.0 178.3 -97.1 158.2 2.7 -17.2 -29.4 48 71 A E E -G 39 0B 58 -9,-2.4 -9,-2.4 -2,-0.2 5,-0.0 -0.962 39.1 -74.4-149.6 162.9 2.8 -14.9 -32.4 49 72 A P E +G 38 0B 53 0, 0.0 -11,-0.2 0, 0.0 4,-0.2 -0.254 53.0 151.7 -58.6 145.1 4.9 -14.5 -35.6 50 73 A A S S- 0 0 1 -13,-1.5 -13,-0.2 2,-1.1 -12,-0.2 -0.000 77.4 -6.0-135.4-108.8 8.4 -13.1 -35.3 51 74 A L S S+ 0 0 0 -15,-2.1 18,-2.8 17,-0.1 2,-0.7 0.808 132.5 63.6 -66.4 -29.0 11.2 -14.1 -37.8 52 75 A A E S-H 68 0C 0 -15,-2.7 -2,-1.1 16,-0.2 16,-0.3 -0.893 73.2-166.1 -88.9 118.2 8.7 -16.6 -39.3 53 76 A E E S- 0 0 97 14,-2.2 2,-0.3 -2,-0.7 15,-0.2 0.805 70.5 -14.7 -75.6 -30.1 5.9 -14.4 -40.6 54 77 A S E -H 67 0C 53 13,-1.4 13,-2.6 -3,-0.1 2,-0.3 -0.959 65.3-167.3-160.1 173.0 3.7 -17.4 -41.0 55 78 A W E -H 66 0C 59 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.983 10.7-143.8-160.5 162.7 3.8 -21.2 -41.0 56 79 A T E -H 65 0C 82 9,-1.8 9,-2.4 -2,-0.3 2,-0.4 -0.954 9.1-151.5-131.1 155.0 1.9 -24.4 -41.8 57 80 A V E -H 64 0C 57 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.993 23.4-119.3-127.3 133.3 1.9 -27.8 -40.1 58 81 A S > - 0 0 41 5,-2.3 3,-1.7 -2,-0.4 5,-0.0 -0.236 29.5-108.1 -66.9 160.1 1.1 -31.0 -42.0 59 82 A D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.830 120.1 54.0 -58.7 -34.0 -1.9 -33.1 -41.0 60 83 A D T 3 S- 0 0 86 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.517 109.7-124.2 -82.6 -2.0 0.4 -35.8 -39.4 61 84 A G S < S+ 0 0 13 -3,-1.7 83,-0.4 2,-0.2 -2,-0.1 0.600 85.6 102.7 74.9 13.1 2.1 -33.1 -37.3 62 85 A L + 0 0 47 1,-0.2 78,-2.8 81,-0.1 2,-0.5 0.626 65.8 61.8-104.0 -16.1 5.5 -34.0 -38.6 63 86 A T E - I 0 139C 39 76,-0.2 -5,-2.3 2,-0.0 2,-0.5 -0.943 55.8-176.7-121.9 114.4 6.3 -31.3 -41.1 64 87 A Y E -HI 57 138C 17 74,-2.9 74,-3.1 -2,-0.5 2,-0.5 -0.942 7.4-165.9-108.0 122.4 6.5 -27.6 -40.1 65 88 A T E -HI 56 137C 31 -9,-2.4 -9,-1.8 -2,-0.5 2,-0.5 -0.938 5.2-158.0-113.2 123.1 7.1 -25.1 -42.9 66 89 A F E -HI 55 136C 0 70,-3.4 70,-2.2 -2,-0.5 2,-0.7 -0.880 8.7-153.9-108.6 123.7 8.2 -21.6 -42.0 67 90 A N E -HI 54 135C 60 -13,-2.6 -14,-2.2 -2,-0.5 -13,-1.4 -0.857 27.9-138.6 -91.6 113.0 7.7 -18.6 -44.3 68 91 A L E -H 52 0C 4 66,-2.5 -16,-0.2 -2,-0.7 -17,-0.1 -0.489 14.4-107.6 -84.5 141.8 10.4 -16.1 -43.2 69 92 A R - 0 0 43 -18,-2.8 3,-0.4 -2,-0.2 2,-0.2 -0.360 33.1-139.3 -63.1 138.3 9.9 -12.4 -42.9 70 93 A K S S+ 0 0 147 1,-0.2 17,-0.1 -2,-0.1 -1,-0.1 -0.630 76.3 33.5 -97.7 157.2 11.5 -10.2 -45.6 71 94 A G S S+ 0 0 45 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.568 75.4 151.1 80.7 11.1 13.4 -6.9 -45.1 72 95 A V - 0 0 0 -3,-0.4 14,-2.6 14,-0.3 2,-0.4 -0.645 31.6-151.6 -83.4 122.5 14.8 -7.9 -41.7 73 96 A K - 0 0 73 131,-0.5 133,-0.2 -2,-0.5 2,-0.2 -0.768 2.2-143.5 -97.3 135.6 18.1 -6.2 -40.8 74 97 A F - 0 0 8 -2,-0.4 109,-0.2 10,-0.4 130,-0.1 -0.519 31.4-101.0 -79.4 160.0 20.9 -7.6 -38.6 75 98 A H - 0 0 3 107,-2.3 2,-0.3 -2,-0.2 -1,-0.1 -0.186 31.1-137.4 -68.1 169.1 22.9 -5.3 -36.3 76 99 A S + 0 0 55 5,-0.1 2,-0.3 6,-0.0 5,-0.2 -0.857 20.0 176.9-119.9 161.8 26.4 -4.0 -37.1 77 100 A N B > -K 80 0D 34 3,-2.7 3,-0.9 -2,-0.3 112,-0.1 -0.891 52.0 -83.1-148.0-176.4 29.5 -3.7 -34.9 78 101 A K T 3 S+ 0 0 207 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.767 129.2 45.2 -63.7 -21.8 33.1 -2.6 -35.4 79 102 A E T 3 S+ 0 0 84 1,-0.2 2,-0.3 96,-0.1 -1,-0.2 0.615 120.5 26.9 -93.3 -16.9 33.9 -6.2 -36.6 80 103 A F B < -K 77 0D 10 -3,-0.9 -3,-2.7 2,-0.0 -1,-0.2 -0.976 45.3-177.1-156.2 130.8 31.0 -6.8 -38.9 81 104 A T - 0 0 103 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.1 -0.988 37.0-122.1-124.2 123.1 28.4 -5.0 -41.1 82 105 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.289 17.2-165.3 -64.6 146.0 25.8 -7.2 -42.8 83 106 A S S S+ 0 0 100 1,-0.1 2,-0.3 2,-0.1 0, 0.0 0.310 72.5 34.1-110.9 2.6 25.6 -7.2 -46.6 84 107 A R S S- 0 0 59 3,-0.0 -10,-0.4 -10,-0.0 -1,-0.1 -0.985 82.8-103.3-150.7 159.0 22.2 -8.9 -46.8 85 108 A D - 0 0 53 -2,-0.3 -12,-0.2 1,-0.2 -2,-0.1 -0.327 57.3 -70.9 -74.2 163.9 18.9 -9.2 -44.9 86 109 A F + 0 0 1 -14,-2.6 -14,-0.3 -2,-0.1 2,-0.2 -0.256 67.1 155.2 -52.5 135.0 17.9 -12.2 -42.7 87 110 A N >> - 0 0 6 -3,-0.1 3,-1.2 -17,-0.1 4,-1.0 -0.839 56.9 -68.5-151.6-169.3 17.1 -15.3 -44.6 88 111 A A H 3> S+ 0 0 0 45,-2.3 4,-2.8 1,-0.3 5,-0.2 0.803 119.1 66.3 -62.1 -32.6 17.0 -19.1 -44.5 89 112 A D H 3> S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.852 99.6 53.0 -58.2 -34.8 20.8 -19.6 -44.2 90 113 A D H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 69,-0.4 0.871 110.4 46.1 -68.1 -38.9 20.6 -17.9 -40.8 91 114 A V H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.2 5,-0.2 0.937 113.3 48.9 -68.4 -46.3 18.0 -20.3 -39.5 92 115 A V H X S+ 0 0 34 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.942 111.9 49.7 -59.5 -46.7 19.8 -23.4 -40.9 93 116 A F H X S+ 0 0 16 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.929 108.1 53.5 -53.9 -49.7 23.0 -22.2 -39.3 94 117 A S H X S+ 0 0 3 -4,-2.0 4,-0.6 65,-0.2 -1,-0.2 0.872 117.6 35.9 -61.3 -38.3 21.4 -21.6 -35.9 95 118 A F H >X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.1 3,-0.7 0.930 116.9 50.8 -76.1 -47.3 19.9 -25.2 -35.8 96 119 A Q H 3X S+ 0 0 39 -4,-3.1 4,-2.7 1,-0.3 7,-0.3 0.813 98.5 64.9 -69.9 -31.5 22.8 -27.0 -37.5 97 120 A R H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 -5,-0.3 6,-0.2 0.921 115.4 32.1 -53.2 -43.5 25.5 -25.6 -35.3 98 121 A Q H << S+ 0 0 6 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.858 122.7 46.8 -81.4 -37.6 23.9 -27.4 -32.3 99 122 A L H < S+ 0 0 35 -4,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.849 103.7 61.3 -77.5 -37.3 22.5 -30.4 -34.2 100 123 A D >< - 0 0 60 -4,-2.7 3,-1.8 -5,-0.2 6,-0.2 -0.838 62.7-159.4-103.2 113.5 25.6 -31.5 -36.2 101 124 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.699 96.4 50.2 -62.9 -18.8 28.7 -32.4 -34.2 102 125 A N T 3 S+ 0 0 144 4,-0.1 -5,-0.1 3,-0.0 -3,-0.0 0.300 77.6 124.4-103.6 6.6 30.8 -31.8 -37.4 103 126 A H S X S- 0 0 35 -3,-1.8 3,-1.9 -7,-0.3 4,-0.4 -0.430 75.2-115.6 -60.6 142.1 29.3 -28.3 -38.1 104 127 A P T 3 S+ 0 0 89 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.774 114.8 41.3 -54.4 -29.2 32.2 -25.8 -38.3 105 128 A Y T > S+ 0 0 2 1,-0.2 3,-1.1 2,-0.1 6,-0.2 0.410 83.7 101.3 -97.9 0.9 30.9 -23.9 -35.3 106 129 A H T < S+ 0 0 31 -3,-1.9 -1,-0.2 1,-0.3 5,-0.1 0.887 94.2 30.2 -57.3 -39.9 29.9 -26.9 -33.1 107 130 A N T > S+ 0 0 117 -4,-0.4 3,-1.9 -3,-0.2 -1,-0.3 0.321 87.1 126.1-105.2 7.3 33.0 -26.8 -31.0 108 131 A V G X S+ 0 0 13 -3,-1.1 3,-1.5 1,-0.3 -3,-0.1 -0.451 87.3 7.7 -63.2 137.9 33.6 -23.0 -31.1 109 132 A S G 3 S- 0 0 48 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.697 123.6 -83.4 59.7 20.1 33.8 -21.6 -27.6 110 133 A K G < S- 0 0 188 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.865 71.6-165.3 51.2 40.6 33.8 -25.2 -26.4 111 134 A A < - 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