==== 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 TRANSPORT PROTEIN 23-DEC-11 3V8U . COMPND 2 MOLECULE: TRANSFERRIN BINDING-PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR N.NOINAJ,N.EASLEY,S.K.BUCHANAN . 1064 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 644 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 438 41.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.9 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 . 8 0.8 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 . 83 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.1 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 2 0 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 . 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 . 18 4 4 4 8 14 10 8 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 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 Q 0 0 106 0, 0.0 325,-0.1 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 -61.5 -14.0 -9.5 -22.4 2 38 A G + 0 0 11 1,-0.1 2,-0.2 267,-0.1 3,-0.1 0.039 360.0 138.2 88.0 157.5 -12.0 -6.6 -23.9 3 39 A G - 0 0 10 1,-0.1 -1,-0.1 30,-0.1 3,-0.1 -0.590 55.0-112.0 145.0 159.3 -11.8 -5.6 -27.6 4 40 A Y S S- 0 0 9 1,-0.3 116,-1.8 -2,-0.2 2,-0.3 0.669 91.1 -30.1 -85.9 -22.3 -11.8 -2.8 -30.2 5 41 A G E -A 119 0A 1 114,-0.3 29,-2.1 -3,-0.1 30,-0.4 -0.919 55.6-138.2 171.9 159.0 -15.2 -3.5 -31.7 6 42 A F E -AB 118 33A 23 112,-2.2 112,-2.3 -2,-0.3 2,-0.3 -0.982 12.8-174.1-143.2 152.8 -17.6 -6.3 -32.4 7 43 A A E -AB 117 32A 0 25,-2.0 25,-2.6 -2,-0.3 2,-0.4 -0.965 10.0-149.2-144.9 153.9 -19.9 -7.3 -35.2 8 44 A M E -A 116 0A 3 108,-2.6 108,-1.7 -2,-0.3 2,-0.3 -0.992 18.8-122.0-134.6 145.3 -22.6 -9.9 -35.8 9 45 A R E -A 115 0A 70 21,-0.4 106,-0.2 -2,-0.4 2,-0.1 -0.596 26.8-117.2 -85.6 134.5 -23.6 -11.7 -39.0 10 46 A L - 0 0 6 104,-2.0 2,-0.2 -2,-0.3 -1,-0.1 -0.470 33.2-130.6 -63.8 139.2 -27.2 -11.5 -40.3 11 47 A K - 0 0 40 132,-0.5 155,-1.2 -2,-0.1 2,-0.3 -0.562 17.5-164.3 -88.2 158.5 -28.8 -14.9 -40.3 12 48 A R B -E 165 0B 39 153,-0.2 153,-0.3 -2,-0.2 2,-0.2 -0.917 15.9-139.6-143.5 118.5 -30.7 -16.5 -43.3 13 49 A R - 0 0 14 151,-3.2 2,-1.4 -2,-0.3 97,-0.4 -0.518 17.3-121.7 -82.9 141.0 -33.0 -19.5 -42.7 14 50 A N - 0 0 10 -2,-0.2 7,-0.7 1,-0.2 8,-0.4 -0.706 33.2-175.7 -72.2 95.9 -33.3 -22.5 -45.0 15 51 A W + 0 0 67 93,-1.5 -1,-0.2 -2,-1.4 94,-0.1 0.488 42.4 119.3 -77.9 -4.6 -37.0 -21.9 -45.5 16 52 A Y >> - 0 0 39 92,-0.6 4,-0.6 90,-0.1 5,-0.6 -0.401 62.0-136.5 -60.7 135.9 -37.2 -25.1 -47.5 17 53 A P T >45S+ 0 0 77 0, 0.0 2,-4.1 0, 0.0 3,-0.5 0.354 83.9 50.7 -71.5-145.3 -39.7 -27.5 -45.7 18 54 A Q T 345S+ 0 0 148 1,-0.3 88,-0.1 2,-0.1 -2,-0.0 -0.112 110.9 56.3 47.8 -65.5 -38.9 -31.2 -45.3 19 55 A A T 345S- 0 0 35 -2,-4.1 -1,-0.3 87,-0.3 87,-0.1 0.862 95.2-160.6 -56.1 -39.8 -35.5 -30.1 -43.9 20 56 A K T <<5 + 0 0 142 -4,-0.6 -5,-0.1 -3,-0.5 3,-0.1 0.968 28.5 164.9 57.1 67.2 -37.4 -28.1 -41.3 21 57 A E < + 0 0 81 -7,-0.7 2,-2.6 -5,-0.6 -6,-0.1 0.955 12.6 159.4 -73.4 -51.1 -34.9 -25.6 -40.1 22 58 A D + 0 0 53 -8,-0.4 2,-0.3 124,-0.1 -1,-0.1 0.103 58.9 42.1 62.5 -30.0 -37.8 -23.6 -38.6 23 59 A E + 0 0 57 -2,-2.6 2,-0.5 -3,-0.1 123,-0.2 -0.923 49.1 175.7-156.2 123.1 -35.4 -21.8 -36.2 24 60 A V B -G 145 0C 26 121,-2.4 121,-2.1 -2,-0.3 2,-0.2 -0.939 23.5-164.0-124.8 104.8 -32.0 -20.2 -36.3 25 61 A K - 0 0 78 -2,-0.5 264,-0.2 119,-0.2 263,-0.1 -0.525 19.1-115.1 -86.5 155.9 -31.2 -18.6 -33.0 26 62 A L - 0 0 2 262,-2.4 2,-0.3 -2,-0.2 -1,-0.1 -0.135 34.5-156.1 -73.6-179.4 -28.4 -16.1 -32.5 27 63 A D > - 0 0 57 1,-0.1 3,-1.6 262,-0.0 4,-0.4 -0.982 34.6-125.2-161.4 148.3 -25.4 -16.9 -30.2 28 64 A E G > S+ 0 0 87 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.948 114.5 64.5 -56.2 -45.5 -22.7 -15.4 -28.0 29 65 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.621 92.5 64.4 -45.1 -21.7 -20.4 -17.6 -30.3 30 66 A D G < S+ 0 0 42 -3,-1.6 -21,-0.4 2,-0.1 -1,-0.3 0.639 72.1 106.3 -88.1 -16.0 -21.4 -15.4 -33.2 31 67 A W < - 0 0 24 -3,-2.1 2,-0.3 -4,-0.4 -23,-0.2 -0.463 56.9-160.8 -61.7 134.2 -19.9 -12.1 -32.0 32 68 A E E -B 7 0A 74 -25,-2.6 -25,-2.0 -2,-0.1 2,-0.2 -0.915 17.9-114.7-121.1 147.0 -16.8 -11.4 -34.1 33 69 A A E -B 6 0A 59 -2,-0.3 -27,-0.2 -27,-0.2 13,-0.1 -0.554 16.8-158.9 -79.9 143.8 -13.9 -9.1 -33.3 34 70 A T - 0 0 3 -29,-2.1 12,-0.5 -2,-0.2 11,-0.2 0.772 27.4-139.8 -90.2 -28.0 -13.5 -6.1 -35.5 35 71 A G - 0 0 19 -30,-0.4 85,-0.2 10,-0.1 302,-0.1 -0.052 47.4 -40.3 78.7 167.1 -9.8 -5.3 -34.9 36 72 A L - 0 0 64 300,-0.3 2,-0.5 83,-0.1 85,-0.1 -0.368 61.4-135.2 -64.1 132.6 -8.6 -1.7 -34.5 37 73 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.787 10.6-160.7 -89.5 138.8 -10.2 0.7 -37.0 38 74 A D S S+ 0 0 103 -2,-0.5 3,-0.0 1,-0.3 -2,-0.0 0.897 94.2 18.6 -76.6 -45.5 -7.8 3.1 -38.7 39 75 A E S > S- 0 0 37 4,-0.1 3,-1.3 -3,-0.1 -1,-0.3 -0.978 74.9-156.2-123.3 118.3 -10.8 5.3 -39.6 40 76 A P T 3 S+ 0 0 9 0, 0.0 79,-0.1 0, 0.0 -1,-0.1 0.682 89.8 65.5 -74.4 -14.6 -13.8 4.6 -37.4 41 77 A K T 3 S+ 0 0 66 43,-0.1 28,-1.7 27,-0.1 2,-0.1 0.732 91.7 82.2 -68.7 -27.4 -16.2 6.0 -40.1 42 78 A E S < S- 0 0 73 -3,-1.3 3,-0.1 26,-0.2 45,-0.0 -0.321 92.8 -93.5 -75.2 165.9 -15.2 3.2 -42.3 43 79 A L - 0 0 3 1,-0.1 2,-0.4 2,-0.1 -4,-0.1 -0.297 51.1 -80.7 -73.6 156.3 -16.6 -0.3 -42.2 44 80 A P > - 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.528 45.0-147.7 -56.6 118.1 -15.1 -3.2 -40.2 45 81 A K H > S+ 0 0 69 -2,-0.4 4,-0.9 -11,-0.2 -10,-0.1 0.871 88.7 51.5 -64.4 -41.6 -12.4 -4.3 -42.6 46 82 A R H 4 S+ 0 0 156 -12,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.914 119.5 33.8 -67.9 -42.7 -12.4 -8.0 -41.8 47 83 A Q H > S+ 0 0 1 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.701 107.1 64.3 -92.5 -20.3 -16.1 -8.5 -42.2 48 84 A K H X S+ 0 0 54 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.757 103.6 55.2 -66.8 -19.7 -16.8 -6.0 -45.0 49 85 A S H X S+ 0 0 65 -4,-0.9 4,-1.5 -5,-0.2 -1,-0.2 0.803 99.3 57.4 -81.5 -27.4 -14.6 -8.3 -47.0 50 86 A V H 4 S+ 0 0 59 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 109.5 47.6 -69.2 -34.0 -16.7 -11.3 -46.2 51 87 A I H >< S+ 0 0 0 -4,-1.3 3,-2.0 1,-0.2 -2,-0.2 0.895 103.7 57.1 -71.1 -44.3 -19.6 -9.5 -47.8 52 88 A E H 3< S+ 0 0 110 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.891 101.3 60.3 -56.4 -36.9 -17.9 -8.3 -50.9 53 89 A K T 3< S+ 0 0 82 -4,-1.5 2,-0.4 -5,-0.1 -1,-0.3 0.236 85.5 112.4 -73.4 15.0 -17.2 -12.1 -51.5 54 90 A V S < S- 0 0 32 -3,-2.0 2,-0.5 6,-0.1 59,-0.1 -0.917 71.8-126.0-119.3 141.9 -21.0 -12.5 -51.6 55 91 A E - 0 0 77 -2,-0.4 2,-0.1 1,-0.1 40,-0.1 -0.807 34.0-173.1-143.3 59.9 -22.3 -13.4 -54.6 56 92 A T - 0 0 16 -2,-0.5 3,-0.2 1,-0.3 -1,-0.1 -0.873 10.9-151.1-167.0 -9.2 -24.4 -11.4 -55.1 57 93 A D - 0 0 45 1,-0.2 2,-1.2 38,-0.1 -1,-0.3 0.924 63.8 -10.5 -58.8-163.7 -26.7 -11.4 -57.6 58 94 A S S S+ 0 0 140 2,-0.1 2,-0.3 37,-0.0 -1,-0.2 -0.110 127.4 41.0 40.4 -79.8 -28.6 -8.7 -59.5 59 95 A D + 0 0 44 -2,-1.2 -3,-0.3 35,-0.2 37,-0.0 -0.719 57.6 174.7 -95.2 144.3 -27.6 -5.8 -57.2 60 96 A N + 0 0 93 -2,-0.3 2,-0.1 33,-0.1 -1,-0.1 0.321 35.9 122.1-134.1 6.1 -24.1 -5.5 -55.8 61 97 A N - 0 0 106 1,-0.1 2,-0.6 33,-0.0 33,-0.3 -0.454 56.6-133.2 -72.7 144.3 -24.1 -2.2 -53.9 62 98 A I - 0 0 48 -2,-0.1 2,-0.4 31,-0.1 31,-0.2 -0.899 20.1-159.1-101.1 117.5 -23.2 -2.2 -50.2 63 99 A Y E +C 92 0A 81 29,-3.5 29,-2.9 -2,-0.6 2,-0.3 -0.765 16.4 171.7 -98.7 140.7 -25.6 -0.2 -48.2 64 100 A S E -C 91 0A 23 -2,-0.4 27,-0.2 27,-0.3 25,-0.0 -0.932 42.8 -65.3-142.9 162.6 -24.6 1.2 -44.8 65 101 A S > - 0 0 1 25,-1.9 3,-1.1 -2,-0.3 -1,-0.1 -0.165 54.5-110.8 -49.7 143.1 -25.9 3.5 -42.1 66 102 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 0.835 112.3 51.3 -46.7 -51.4 -26.1 7.2 -43.2 67 103 A Y T 3 S+ 0 0 48 8,-0.2 -2,-0.1 2,-0.1 22,-0.0 0.734 90.7 98.0 -66.2 -24.3 -23.3 8.7 -41.1 68 104 A L < - 0 0 8 -3,-1.1 -26,-0.2 20,-0.1 -27,-0.1 -0.155 64.4-146.9 -61.5 156.6 -20.7 6.0 -42.2 69 105 A K 0 0 134 -28,-1.7 -28,-0.1 1,-0.1 -1,-0.1 -0.591 360.0 360.0-132.6 76.5 -18.3 6.8 -45.0 70 106 A P 0 0 106 0, 0.0 -28,-0.1 0, 0.0 -1,-0.1 0.103 360.0 360.0 -61.6 360.0 -17.4 3.8 -47.3 71 ! 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 72 121 A Q 0 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.8 -31.7 10.7 -47.5 73 122 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 107,-0.2 0.006 360.0-154.5 -52.6 157.6 -32.1 8.8 -44.2 74 123 A K - 0 0 68 105,-0.8 2,-0.2 2,-0.1 107,-0.1 -0.970 14.2-173.4-134.4 150.6 -30.7 10.2 -40.9 75 124 A N + 0 0 13 -2,-0.3 2,-0.3 117,-0.1 117,-0.2 -0.735 37.3 128.0-145.5 88.6 -29.6 8.4 -37.7 76 125 A Q B -H 191 0D 71 115,-1.7 115,-1.2 -2,-0.2 5,-0.1 -0.942 58.4-137.5-147.2 160.2 -28.7 10.8 -35.0 77 126 A A - 0 0 2 -2,-0.3 112,-0.1 3,-0.2 4,-0.1 0.225 56.9-112.1-110.0 13.6 -29.2 11.9 -31.4 78 127 A K S S+ 0 0 76 1,-0.2 111,-0.1 3,-0.1 221,-0.0 0.948 99.9 12.7 63.4 94.7 -29.3 15.6 -32.2 79 128 A D S S+ 0 0 66 220,-0.1 -1,-0.2 219,-0.0 57,-0.1 0.660 113.0 86.8 72.2 23.6 -26.3 17.5 -30.8 80 129 A Y S S+ 0 0 20 217,-0.1 217,-0.2 1,-0.1 -3,-0.2 -0.103 71.9 133.7-159.0 51.7 -24.8 14.0 -30.2 81 130 A E + 0 0 55 -5,-0.1 2,-0.4 -4,-0.1 -3,-0.1 0.315 35.9 29.0 164.3 -99.3 -23.8 14.4 -33.2 82 131 A N - 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