==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERRIN-BINDING PROTEIN 06-JAN-12 3VE2 . COMPND 2 MOLECULE: TRANSFERRIN-BINDING PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR C.CALMETTES,T.F.MORAES . 1033 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 444 43.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 68 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 8 4 8 8 6 12 12 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 3 0 2 2 0 0 0 0 4 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 37 A D 0 0 94 0, 0.0 236,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-123.1 39.3 -53.5 27.4 2 38 A Q - 0 0 93 1,-0.1 319,-0.1 321,-0.0 321,-0.0 0.338 360.0-129.2 -91.9 6.1 36.4 -54.4 29.7 3 39 A G + 0 0 7 1,-0.1 2,-0.2 261,-0.1 -1,-0.1 0.450 40.5 155.7 71.9 153.9 34.0 -53.2 26.9 4 40 A G - 0 0 5 1,-0.1 -1,-0.1 -3,-0.0 3,-0.1 -0.805 51.5-103.2 163.1 162.4 31.1 -50.8 26.9 5 41 A Y S S- 0 0 5 1,-0.2 114,-2.3 -2,-0.2 2,-0.3 0.691 93.7 -31.4 -74.3 -20.7 28.9 -48.4 24.9 6 42 A G E -A 118 0A 1 112,-0.2 29,-1.6 -3,-0.1 30,-0.4 -0.958 50.6-132.1 172.7 167.0 30.6 -45.4 26.3 7 43 A F E -AB 117 34A 9 110,-1.6 110,-1.9 -2,-0.3 2,-0.3 -0.986 12.2-168.0-144.5 148.0 32.3 -43.6 29.1 8 44 A A E -AB 116 33A 0 25,-2.3 25,-3.0 -2,-0.3 2,-0.4 -0.956 5.4-159.5-137.1 150.6 32.1 -40.2 30.9 9 45 A M E -A 115 0A 1 106,-2.3 106,-2.1 -2,-0.3 2,-0.2 -0.995 18.6-132.7-136.1 126.9 34.3 -38.4 33.3 10 46 A R E -A 114 0A 79 21,-0.4 104,-0.3 -2,-0.4 131,-0.0 -0.500 22.4-109.8 -80.5 142.5 33.0 -35.6 35.6 11 47 A L - 0 0 6 102,-2.6 2,-0.3 -2,-0.2 102,-0.1 -0.356 35.8-129.2 -54.8 148.4 34.7 -32.2 36.1 12 48 A K - 0 0 39 130,-0.4 153,-2.2 154,-0.1 2,-0.4 -0.799 15.0-160.9-101.1 147.4 36.3 -31.8 39.6 13 49 A R B -E 164 0B 39 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.998 18.8-136.7-125.1 129.0 35.8 -28.9 42.0 14 50 A R - 0 0 2 149,-2.4 2,-0.5 -2,-0.4 95,-0.3 -0.645 17.2-117.5 -89.1 134.5 38.4 -28.4 44.7 15 51 A N + 0 0 14 -2,-0.3 7,-2.6 1,-0.1 93,-0.2 -0.540 35.5 172.5 -66.8 115.3 37.5 -27.6 48.4 16 52 A W + 0 0 61 91,-2.9 5,-0.2 -2,-0.5 -1,-0.1 0.146 22.5 139.9-114.1 24.0 39.0 -24.2 49.1 17 53 A Y > - 0 0 55 90,-0.3 3,-2.2 3,-0.3 2,-0.2 -0.456 65.4-108.1 -56.9 125.1 37.4 -23.6 52.5 18 54 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.390 103.2 18.2 -63.7 126.2 40.3 -22.1 54.5 19 55 A G T 3 S+ 0 0 86 -2,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.268 127.8 53.4 98.8 -12.6 41.7 -24.5 57.0 20 56 A A S < S+ 0 0 32 -3,-2.2 -3,-0.3 2,-0.1 2,-0.1 -0.004 80.2 148.1-140.9 32.3 40.1 -27.5 55.4 21 57 A E - 0 0 75 -5,-0.2 2,-0.6 -4,-0.1 -5,-0.2 -0.338 44.8-139.5 -79.1 140.4 41.4 -27.0 51.9 22 58 A E - 0 0 72 -7,-2.6 3,-0.1 1,-0.1 124,-0.1 -0.908 9.0-159.7 -87.8 127.3 42.3 -29.7 49.4 23 59 A S S S+ 0 0 81 -2,-0.6 123,-3.4 1,-0.3 2,-0.3 0.769 74.7 3.3 -77.4 -23.5 45.5 -28.7 47.7 24 60 A E E -G 145 0C 79 121,-0.3 2,-0.4 -3,-0.1 -1,-0.3 -0.994 51.3-157.5-156.9 151.3 44.7 -31.0 44.8 25 61 A V E -G 144 0C 31 119,-2.9 119,-2.0 -2,-0.3 2,-0.1 -0.925 25.5-160.1-129.3 109.9 42.1 -33.4 43.5 26 62 A K - 0 0 86 -2,-0.4 2,-0.2 117,-0.2 258,-0.2 -0.369 19.6-110.8 -84.3 162.5 43.5 -35.9 41.0 27 63 A L - 0 0 0 256,-2.1 2,-0.3 255,-0.1 -1,-0.1 -0.583 34.0-161.4 -86.5 158.4 41.7 -37.9 38.4 28 64 A N > - 0 0 73 -2,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.991 32.1-122.2-142.7 147.9 41.3 -41.7 38.9 29 65 A E G > S+ 0 0 81 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.849 114.9 63.0 -54.1 -35.0 40.5 -44.7 36.7 30 66 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.677 88.2 71.9 -65.8 -15.8 37.6 -45.3 39.1 31 67 A D G < S+ 0 0 39 -3,-2.2 -21,-0.4 2,-0.1 -1,-0.3 0.686 72.1 107.5 -73.9 -19.3 36.2 -41.9 38.1 32 68 A W < - 0 0 26 -3,-1.6 2,-0.4 -4,-0.3 -23,-0.2 -0.378 56.3-158.7 -60.6 134.6 35.2 -43.3 34.7 33 69 A E E -B 8 0A 67 -25,-3.0 -25,-2.3 -2,-0.1 2,-0.2 -0.957 16.3-123.1-117.1 137.7 31.4 -43.8 34.3 34 70 A A E -B 7 0A 49 -2,-0.4 -27,-0.3 -27,-0.2 84,-0.1 -0.506 16.4-159.4 -68.5 142.9 29.6 -46.1 31.9 35 71 A T - 0 0 9 -29,-1.6 12,-0.5 -2,-0.2 11,-0.2 0.708 26.7-137.6 -95.8 -22.8 27.1 -44.2 29.7 36 72 A G - 0 0 9 -30,-0.4 83,-0.2 10,-0.1 -1,-0.1 -0.155 44.4 -44.3 79.9 170.6 24.9 -47.1 28.6 37 73 A L - 0 0 73 294,-0.4 2,-0.3 81,-0.1 83,-0.1 -0.616 60.3-139.4 -74.9 122.3 23.5 -47.5 25.1 38 74 A P - 0 0 13 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 -0.677 9.0-152.0 -81.1 139.9 22.2 -44.3 23.6 39 75 A T S S+ 0 0 122 -2,-0.3 81,-0.0 1,-0.3 -2,-0.0 0.839 98.1 22.2 -68.0 -37.8 19.0 -44.4 21.6 40 76 A K S > S- 0 0 121 4,-0.1 3,-2.6 1,-0.1 -1,-0.3 -0.912 71.5-157.3-135.5 107.1 20.4 -41.3 19.7 41 77 A P T 3 S+ 0 0 10 0, 0.0 77,-0.1 0, 0.0 -1,-0.1 0.754 91.8 65.8 -57.7 -26.5 24.2 -40.8 19.8 42 78 A K T 3 S+ 0 0 87 43,-0.1 28,-2.7 27,-0.1 2,-0.2 0.615 92.0 79.4 -70.9 -13.7 23.7 -37.1 19.1 43 79 A E S < S- 0 0 44 -3,-2.6 45,-0.1 26,-0.2 3,-0.1 -0.554 95.2 -91.5 -93.8 162.2 22.0 -36.6 22.5 44 80 A L - 0 0 6 26,-0.4 2,-0.3 -2,-0.2 -4,-0.1 -0.359 52.2 -91.8 -66.7 147.5 23.7 -36.4 25.8 45 81 A P > - 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.507 38.9-136.0 -63.8 129.0 24.2 -39.6 27.8 46 82 A K H > S+ 0 0 109 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.825 94.6 50.8 -62.8 -43.3 21.1 -40.0 30.0 47 83 A R H > S+ 0 0 129 -12,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.959 117.7 39.4 -59.8 -51.0 22.5 -41.0 33.3 48 84 A Q H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.844 112.2 56.9 -72.5 -34.1 25.1 -38.2 33.4 49 85 A K H X S+ 0 0 51 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.937 105.2 52.2 -57.3 -47.3 22.6 -35.7 32.0 50 86 A S H X S+ 0 0 55 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.894 107.8 52.5 -59.0 -40.7 20.2 -36.4 34.9 51 87 A V H X S+ 0 0 49 -4,-1.6 4,-0.6 1,-0.2 3,-0.3 0.939 112.2 44.1 -56.9 -49.3 23.1 -35.8 37.3 52 88 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.871 106.0 61.3 -68.7 -34.6 23.8 -32.4 35.7 53 89 A E H 3< S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.875 107.4 46.9 -57.3 -33.6 20.1 -31.5 35.6 54 90 A K H 3< S+ 0 0 184 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.600 85.2 112.1 -87.9 -11.9 20.1 -31.8 39.4 55 91 A V S << S- 0 0 19 -3,-1.0 2,-0.2 -4,-0.6 57,-0.0 -0.439 74.9-115.8 -60.9 131.0 23.2 -29.7 39.8 56 92 A E - 0 0 131 -2,-0.2 41,-2.6 41,-0.1 2,-0.3 -0.483 35.3-178.0 -75.9 134.9 22.2 -26.5 41.5 57 93 A T - 0 0 33 39,-0.3 39,-0.1 -2,-0.2 4,-0.1 -0.828 16.6-160.1-122.4 170.1 22.6 -23.1 39.7 58 94 A D B S-H 582 0D 16 524,-0.5 524,-0.5 37,-0.5 526,-0.2 -0.550 82.5 -2.3-151.8 75.6 22.0 -19.5 40.8 59 95 A G S S+ 0 0 25 570,-0.2 2,-0.3 522,-0.1 569,-0.1 -0.042 129.1 46.6 132.4 -33.7 21.6 -17.1 37.9 60 96 A D + 0 0 7 35,-0.3 35,-0.4 522,-0.2 -2,-0.2 -0.857 52.1 171.7-143.4 102.1 22.2 -19.3 34.8 61 97 A S + 0 0 59 -2,-0.3 -1,-0.1 -4,-0.1 35,-0.0 0.457 38.9 120.7 -88.4 -3.1 20.4 -22.7 34.6 62 98 A D - 0 0 62 1,-0.1 2,-0.6 33,-0.0 33,-0.5 -0.287 58.9-133.4 -67.6 148.9 21.3 -23.7 31.0 63 99 A I - 0 0 53 31,-0.1 2,-0.4 8,-0.1 31,-0.2 -0.884 22.4-155.9 -91.9 124.1 23.2 -26.8 30.1 64 100 A Y E +C 93 0A 48 29,-3.1 29,-2.3 -2,-0.6 2,-0.3 -0.823 19.2 172.6 -99.1 143.0 25.9 -25.9 27.5 65 101 A S E -C 92 0A 26 -2,-0.4 27,-0.2 27,-0.2 25,-0.0 -0.948 41.7 -64.4-145.1 165.7 27.2 -28.6 25.2 66 102 A S > - 0 0 1 25,-1.9 3,-1.9 -2,-0.3 103,-0.0 -0.193 55.1-116.1 -48.9 137.4 29.4 -29.3 22.2 67 103 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.805 112.0 52.2 -56.9 -34.7 28.0 -27.4 19.2 68 104 A Y T 3 S+ 0 0 47 8,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.526 93.3 98.1 -80.3 -7.2 27.2 -30.6 17.1 69 105 A L S < S- 0 0 6 -3,-1.9 -26,-0.2 22,-0.1 -4,-0.1 -0.506 87.0-100.8 -81.4 155.6 25.2 -32.1 20.0 70 106 A T 0 0 56 -28,-2.7 -26,-0.4 1,-0.2 -1,-0.1 -0.627 360.0 360.0 -74.3 114.6 21.5 -32.0 20.4 71 107 A P 0 0 139 0, 0.0 -1,-0.2 0, 0.0 -8,-0.1 0.892 360.0 360.0 -52.2 360.0 20.6 -29.3 22.9 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 121 A Q 0 0 118 0, 0.0 531,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 37.3 28.3 -20.3 16.7 74 122 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 105,-0.2 -0.322 360.0-149.4 -70.9 158.7 31.5 -22.3 17.5 75 123 A K - 0 0 62 103,-2.1 2,-0.3 105,-0.1 105,-0.1 -0.941 16.9-176.6-125.5 151.8 32.5 -25.3 15.5 76 124 A N + 0 0 17 -2,-0.3 2,-0.3 115,-0.1 115,-0.2 -0.819 38.9 114.9-146.6 102.3 34.4 -28.4 16.5 77 125 A Q E -I 190 0E 46 113,-1.5 113,-2.3 -2,-0.3 2,-0.6 -0.975 62.0-119.9-168.3 147.2 35.0 -30.7 13.5 78 126 A A E > -IJ 189 81E 0 3,-0.5 3,-2.3 -2,-0.3 111,-0.3 -0.886 50.8-111.7 -93.8 118.9 37.6 -32.3 11.3 79 127 A T T 3 S+ 0 0 68 109,-1.7 -1,-0.0 -2,-0.6 57,-0.0 -0.246 100.8 17.3 -61.7 138.3 36.7 -31.1 7.8 80 128 A G T 3 S+ 0 0 27 214,-0.1 215,-3.0 213,-0.0 -1,-0.3 0.375 119.7 71.0 82.9 -3.3 35.4 -33.9 5.5 81 129 A H B < +J 78 0E 12 -3,-2.3 -3,-0.5 213,-0.2 211,-0.2 -0.388 62.7 103.8-139.1 56.6 34.8 -36.1 8.6 82 130 A E + 0 0 78 -5,-0.1 2,-1.4 1,-0.1 -1,-0.1 0.548 45.6 92.7-119.8 -11.0 31.8 -34.5 10.3 83 131 A N + 0 0 93 -3,-0.1 213,-0.1 2,-0.0 -1,-0.1 -0.314 54.8 178.8 -91.4 60.1 28.7 -36.6 9.6 84 132 A F + 0 0 21 -2,-1.4 -42,-0.1 1,-0.1 4,-0.1 -0.260 15.2 163.1 -60.8 139.8 28.7 -38.9 12.6 85 133 A Q S S+ 0 0 124 35,-0.1 -1,-0.1 -44,-0.1 -43,-0.1 0.552 75.1 28.3-126.4 -24.9 25.9 -41.5 12.8 86 134 A Y S S+ 0 0 43 1,-0.3 34,-2.2 181,-0.1 2,-0.4 0.725 116.8 39.2-112.9 -29.9 27.1 -44.1 15.3 87 135 A V E - 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