==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/METAL TRANSPORT 22-DEC-11 3V89 . COMPND 2 MOLECULE: TRANSFERRIN-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR N.NOINAJ,M.OKE,N.EASLEY,O.ZAK,P.AISEN,S.K.BUCHANAN . 1192 4 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 748 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 386 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 80 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 1 2 2 1 1 0 2 1 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 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 0 PARALLEL BRIDGES PER LADDER . 7 5 8 4 3 2 3 3 2 2 2 1 0 3 2 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 1 1 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 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 51 A R 0 0 127 0, 0.0 12,-0.1 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0-174.6 -1.0 12.9 -10.3 2 52 A D + 0 0 96 1,-0.1 10,-0.0 10,-0.1 100,-0.0 0.171 360.0 48.6 -40.4 168.2 1.9 10.8 -9.0 3 53 A N + 0 0 85 2,-0.1 2,-1.4 3,-0.0 -1,-0.1 0.159 14.4 136.7-172.9 116.8 3.0 9.0 -7.2 4 54 A E S S+ 0 0 59 1,-0.1 -2,-0.0 2,-0.0 2,-0.0 -0.624 94.5 18.3 -91.2 78.8 3.1 5.7 -5.3 5 55 A V S S- 0 0 7 -2,-1.4 -1,-0.1 2,-0.1 -2,-0.1 0.170 84.9-108.1 125.6 115.9 6.8 4.8 -5.7 6 56 A T S S+ 0 0 18 570,-0.1 2,-0.4 1,-0.1 539,-0.1 0.307 85.2 50.2 -50.2-169.4 9.8 7.0 -6.6 7 57 A G S S- 0 0 22 580,-0.1 2,-0.2 583,-0.0 583,-0.1 -0.612 78.4-132.3 78.0-125.7 11.5 6.7 -10.0 8 58 A L + 0 0 22 -2,-0.4 3,-0.1 1,-0.1 97,-0.1 -0.736 50.0 144.8 175.6-122.6 9.2 6.8 -12.9 9 59 A G S S+ 0 0 6 -2,-0.2 96,-2.7 1,-0.2 2,-0.3 0.916 70.8 76.2 55.6 47.2 8.7 4.8 -16.1 10 60 A K E -A 104 0A 31 94,-0.3 2,-0.3 2,-0.0 94,-0.3 -0.975 66.2-130.9-170.6 170.2 5.0 5.2 -16.0 11 61 A L E -A 103 0A 33 92,-2.3 92,-2.5 -2,-0.3 2,-0.4 -0.926 9.3-144.1-135.8 160.1 2.1 7.6 -16.7 12 62 A V E -A 102 0A 49 -2,-0.3 2,-0.3 90,-0.2 90,-0.2 -0.942 11.8-174.1-124.4 144.4 -1.0 8.9 -14.9 13 63 A K E -A 101 0A 9 88,-2.3 88,-0.6 -2,-0.4 2,-0.3 -0.997 6.7-159.8-136.5 143.6 -4.4 9.8 -16.3 14 64 A S E > -A 100 0A 36 -2,-0.3 4,-3.6 86,-0.3 5,-0.3 -0.832 34.5-109.1-121.2 159.8 -7.4 11.4 -14.5 15 65 A S H > S+ 0 0 16 84,-2.4 4,-2.7 -2,-0.3 5,-0.2 0.931 126.5 44.6 -49.7 -48.9 -11.1 11.5 -15.3 16 66 A D H > S+ 0 0 112 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.892 112.4 53.2 -61.8 -41.3 -10.7 15.2 -16.1 17 67 A T H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.985 110.1 46.6 -55.8 -58.6 -7.5 14.3 -18.1 18 68 A L H X>S+ 0 0 7 -4,-3.6 5,-1.4 1,-0.2 4,-1.0 0.902 113.5 49.5 -48.8 -49.6 -9.4 11.7 -20.1 19 69 A S H ><5S+ 0 0 21 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.931 108.8 50.2 -60.8 -49.4 -12.3 14.2 -20.7 20 70 A K H 3<5S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.904 114.6 47.4 -53.2 -39.3 -10.0 17.0 -21.8 21 71 A E H 3<5S- 0 0 59 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.622 105.8-133.1 -81.2 -13.8 -8.4 14.5 -24.2 22 72 A Q T <<5 + 0 0 3 -4,-1.0 2,-0.8 -3,-1.0 -3,-0.2 0.935 36.6 175.4 62.5 49.0 -11.8 13.2 -25.5 23 73 A V < + 0 0 0 -5,-1.4 -1,-0.2 1,-0.2 -2,-0.1 -0.779 16.9 156.2 -92.7 109.8 -11.0 9.5 -25.1 24 74 A L + 0 0 13 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.469 61.6 46.8-101.2 -9.5 -14.0 7.3 -26.0 25 75 A N S >> S- 0 0 24 1,-0.1 4,-1.4 70,-0.0 3,-0.7 -0.953 81.5-114.6-139.4 155.2 -12.1 4.2 -26.9 26 76 A I H 3> S+ 0 0 12 -2,-0.3 4,-0.8 1,-0.3 -1,-0.1 0.841 117.8 56.1 -56.6 -34.6 -9.3 1.9 -25.7 27 77 A R H 34 S+ 0 0 54 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.874 103.9 56.4 -62.7 -37.2 -7.3 2.9 -28.8 28 78 A D H X4 S+ 0 0 8 -3,-0.7 3,-2.2 1,-0.2 4,-0.4 0.945 93.9 63.6 -60.3 -53.6 -7.6 6.6 -27.8 29 79 A L H 3< S+ 0 0 1 -4,-1.4 3,-0.4 1,-0.3 -1,-0.2 0.808 114.3 29.2 -46.1 -50.9 -6.2 6.5 -24.3 30 80 A T T >< S+ 0 0 6 -4,-0.8 3,-1.4 1,-0.2 6,-0.3 0.305 87.1 107.6 -96.9 7.7 -2.6 5.5 -25.2 31 81 A R T < S+ 0 0 38 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.1 0.782 88.1 39.3 -57.0 -29.9 -2.6 7.1 -28.7 32 82 A Y T 3 S+ 0 0 29 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.446 99.9 78.0 -99.7 -0.7 -0.2 9.8 -27.4 33 83 A D S X S- 0 0 19 -3,-1.4 3,-1.2 3,-0.1 -1,-0.2 -0.709 78.2-147.8-114.7 81.4 2.0 7.7 -25.2 34 84 A P T 3 S+ 0 0 2 0, 0.0 3,-0.1 0, 0.0 667,-0.1 -0.048 77.1 39.9 -56.7 145.2 4.3 5.9 -27.6 35 85 A G T 3 S+ 0 0 17 1,-0.3 17,-0.5 693,-0.2 2,-0.5 0.277 93.6 97.9 95.5 -8.9 5.5 2.4 -26.8 36 86 A I E < -E 51 0B 3 -3,-1.2 2,-0.3 -6,-0.3 -1,-0.3 -0.965 54.5-175.8-109.5 130.6 2.2 1.4 -25.4 37 87 A A E -E 50 0B 6 13,-2.1 13,-3.1 -2,-0.5 781,-0.0 -0.891 28.4-139.8-129.5 155.1 -0.1 -0.6 -27.8 38 88 A V - 0 0 7 -2,-0.3 -1,-0.1 11,-0.2 780,-0.1 0.768 28.9-142.1 -84.3 -30.6 -3.6 -2.0 -27.8 39 89 A V - 0 0 2 11,-0.1 780,-0.1 686,-0.1 779,-0.0 0.985 17.9-126.6 62.4 79.2 -3.3 -5.4 -29.6 40 90 A E - 0 0 24 778,-0.5 788,-0.3 1,-0.1 789,-0.3 -0.231 6.7-148.6 -50.5 141.4 -6.4 -6.0 -31.8 41 91 A Q - 0 0 1 787,-0.1 -1,-0.1 786,-0.1 6,-0.1 0.437 36.6-120.4 -96.0 -2.8 -8.3 -9.3 -31.2 42 92 A G S S+ 0 0 16 4,-0.1 -2,-0.1 1,-0.1 4,-0.1 0.044 106.0 71.1 90.7 -26.3 -9.4 -9.6 -34.9 43 93 A R S S- 0 0 18 2,-0.2 308,-0.1 44,-0.2 -1,-0.1 0.241 125.0 -92.5 -97.7 7.7 -13.1 -9.5 -34.3 44 94 A G S S+ 0 0 22 1,-0.1 2,-0.5 2,-0.1 135,-0.1 0.616 88.2 112.8 101.1 16.9 -12.7 -5.9 -33.4 45 95 A A S S- 0 0 0 1,-0.1 45,-0.2 243,-0.1 -2,-0.2 -0.914 70.2-103.1-133.1 112.0 -12.2 -5.9 -29.6 46 96 A S - 0 0 4 -2,-0.5 -1,-0.1 1,-0.1 -4,-0.1 0.259 30.2-179.6 42.3-118.3 -9.3 -5.0 -27.4 47 97 A S - 0 0 0 43,-0.8 9,-0.3 -7,-0.1 -1,-0.1 0.841 58.9 -64.2 70.8 39.7 -7.7 -8.2 -26.0 48 98 A G - 0 0 12 42,-0.3 2,-0.3 43,-0.1 9,-0.1 -0.307 61.3 -61.2 102.9-171.2 -5.0 -6.4 -23.9 49 99 A Y - 0 0 7 7,-0.4 2,-0.5 10,-0.3 -11,-0.2 -0.915 28.5-143.7-121.3 149.3 -2.0 -4.1 -24.0 50 100 A S E +E 37 0B 3 -13,-3.1 -13,-2.1 -2,-0.3 2,-0.3 -0.955 34.7 153.4-114.4 118.7 1.4 -4.5 -25.6 51 101 A I E > +EF 36 54B 2 3,-2.1 3,-2.0 -2,-0.5 -15,-0.1 -0.992 55.0 9.3-144.8 147.6 4.4 -3.0 -23.7 52 102 A R T 3 S- 0 0 8 -17,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.811 131.8 -52.2 55.3 32.1 8.1 -3.5 -23.3 53 103 A G T 3 S+ 0 0 4 1,-0.3 -1,-0.3 -18,-0.2 672,-0.3 0.561 125.0 82.7 82.7 9.2 8.1 -6.0 -26.2 54 104 A M B < +F 51 0B 2 -3,-2.0 -3,-2.1 671,-0.2 -1,-0.3 -0.834 47.9 172.2-136.9 177.1 5.3 -8.1 -24.8 55 105 A D > + 0 0 18 -5,-0.3 3,-2.2 -2,-0.3 -5,-0.2 -0.754 42.0 46.3-158.8-162.0 1.5 -8.2 -24.7 56 106 A K G > S- 0 0 40 -9,-0.3 3,-2.1 1,-0.3 -7,-0.4 -0.046 123.1 -6.9 47.4-140.2 -1.5 -10.3 -23.7 57 107 A N G 3 S+ 0 0 25 1,-0.3 -1,-0.3 14,-0.2 60,-0.2 0.483 121.7 82.6 -66.2 -3.0 -1.4 -12.0 -20.3 58 108 A R G < S+ 0 0 33 -3,-2.2 60,-3.0 -9,-0.1 61,-0.5 0.600 91.4 52.1 -75.3 -14.0 2.3 -10.7 -20.1 59 109 A V E < S-b 119 0A 12 -3,-2.1 57,-0.3 58,-0.2 -10,-0.3 -0.990 90.0-123.4-127.5 129.1 1.0 -7.3 -18.9 60 110 A S E -b 120 0A 8 59,-1.6 61,-0.8 -2,-0.4 2,-0.4 -0.175 15.9-163.6 -69.1 154.4 -1.4 -7.0 -16.0 61 111 A L E +b 121 0A 19 7,-0.2 7,-2.2 59,-0.2 2,-0.3 -0.946 18.8 174.8-136.0 118.1 -4.8 -5.3 -16.0 62 112 A T E -bC 122 67A 5 59,-3.1 61,-2.1 -2,-0.4 2,-0.4 -0.922 19.6-168.5-128.2 148.3 -6.3 -4.4 -12.6 63 113 A V E > S-bC 123 66A 5 3,-2.8 3,-2.6 -2,-0.3 61,-0.2 -0.948 80.4 -25.4-135.9 118.1 -9.4 -2.6 -11.3 64 114 A D T 3 S- 0 0 41 59,-1.3 60,-0.1 -2,-0.4 3,-0.1 0.860 127.3 -50.9 46.6 40.8 -9.7 -1.6 -7.7 65 115 A G T 3 S+ 0 0 35 58,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.195 116.1 117.7 87.2 -16.5 -7.3 -4.5 -6.9 66 116 A V E < -C 63 0A 1 -3,-2.6 -3,-2.8 363,-0.0 -1,-0.2 -0.753 61.3-135.8 -87.5 122.7 -9.3 -7.0 -8.9 67 117 A S E -C 62 0A 47 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.417 20.7-121.2 -75.8 154.4 -7.5 -8.5 -11.8 68 118 A Q - 0 0 11 -7,-2.2 -7,-0.2 1,-0.1 -1,-0.1 -0.705 38.9 -74.8-105.7 151.4 -9.3 -8.7 -15.2 69 119 A I - 0 0 1 -2,-0.3 22,-0.3 356,-0.1 -1,-0.1 0.044 51.7-124.5 -48.4 139.2 -10.0 -11.9 -17.2 70 120 A Q - 0 0 35 20,-0.1 2,-0.8 1,-0.1 18,-0.1 -0.176 28.8 -91.4 -78.5 176.1 -7.0 -13.3 -19.1 71 121 A S - 0 0 10 19,-0.1 2,-0.6 -24,-0.1 530,-0.2 -0.816 46.1-173.9 -93.5 111.7 -6.7 -14.0 -22.8 72 122 A Y - 0 0 6 -2,-0.8 16,-0.7 17,-0.3 2,-0.6 -0.914 8.2-178.0-115.2 110.4 -7.8 -17.6 -23.3 73 123 A T - 0 0 67 -2,-0.6 3,-0.1 15,-0.1 14,-0.1 -0.914 16.9-147.6-110.3 110.0 -7.4 -19.1 -26.8 74 124 A A - 0 0 18 -2,-0.6 12,-0.3 1,-0.1 527,-0.0 -0.297 34.7 -84.3 -70.0 159.2 -8.7 -22.7 -27.1 75 125 A Q - 0 0 44 1,-0.1 -1,-0.1 526,-0.1 2,-0.1 -0.251 52.0 -91.9 -69.3 153.5 -7.0 -25.1 -29.5 76 126 A A - 0 0 62 1050,-0.1 440,-0.3 -3,-0.1 -1,-0.1 -0.355 36.4-123.0 -70.4 138.3 -7.9 -25.2 -33.2 77 127 A A - 0 0 13 439,-0.1 2,-0.2 438,-0.1 1054,-0.1 -0.335 26.6-135.6 -72.3 159.3 -10.6 -27.5 -34.5 78 128 A L + 0 0 12 858,-0.3 3,-0.2 1052,-0.1 860,-0.2 -0.668 58.6 28.5-114.9 174.4 -9.7 -30.0 -37.2 79 129 A G S S- 0 0 6 1077,-0.4 3,-0.3 -2,-0.2 855,-0.1 0.027 104.2 -12.3 66.8 172.7 -11.4 -31.2 -40.4 80 130 A G S S+ 0 0 20 853,-0.4 -1,-0.2 1,-0.2 856,-0.1 -0.086 94.2 75.1 50.4-120.8 -13.8 -29.0 -42.4 81 131 A T - 0 0 16 -3,-0.2 -1,-0.2 853,-0.0 855,-0.1 -0.437 63.7-124.2-146.9 -53.3 -14.7 -26.6 -41.1 82 132 A R - 0 0 102 -3,-0.3 2,-0.2 -5,-0.1 -2,-0.1 0.934 42.4-173.9 73.4 83.7 -14.7 -23.0 -39.8 83 133 A T - 0 0 26 1,-0.1 -1,-0.1 -6,-0.1 309,-0.1 -0.646 32.8-111.1-104.5 156.1 -15.7 -23.1 -36.1 84 134 A A - 0 0 3 -2,-0.2 2,-0.2 307,-0.1 -1,-0.1 0.961 47.6-174.6 -46.8 -69.7 -16.3 -20.2 -33.6 85 135 A G - 0 0 17 306,-0.1 2,-0.4 431,-0.1 336,-0.2 -0.518 35.9 -44.2 96.9-169.2 -13.4 -20.6 -31.3 86 136 A S - 0 0 5 -12,-0.3 336,-0.1 -2,-0.2 302,-0.1 -0.840 44.1-128.0-102.9 140.3 -12.6 -18.7 -28.0 87 137 A S - 0 0 3 -2,-0.4 -44,-0.2 334,-0.3 -1,-0.1 0.901 27.4-172.2 -50.5 -49.7 -13.0 -15.0 -27.7 88 138 A G + 0 0 0 -16,-0.7 -1,-0.2 1,-0.2 -15,-0.1 0.309 39.2 133.5 72.9 -11.0 -9.5 -14.5 -26.4 89 139 A A - 0 0 0 -17,-0.1 2,-0.4 -18,-0.1 -17,-0.3 -0.225 54.1-132.7 -67.7 157.8 -10.5 -10.9 -25.8 90 140 A I - 0 0 13 -45,-0.2 -43,-0.8 -3,-0.1 -42,-0.3 -0.943 38.1 -87.1-113.8 141.0 -9.8 -9.2 -22.5 91 141 A N - 0 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