==== 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 23-DEC-11 3V8X . COMPND 2 MOLECULE: TRANSFERRIN-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR N.NOINAJ,N.EASLEY,S.K.BUCHANAN . 1529 4 22 22 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1010 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 464 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 120 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.0 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 6 5 2 3 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 . 6 6 8 9 4 2 3 1 2 3 2 1 3 0 1 0 2 0 0 0 2 1 1 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 54 A E 0 0 128 0, 0.0 575,-0.1 0, 0.0 536,-0.1 0.000 360.0 360.0 360.0 140.3 55.2 -52.9 56.9 2 55 A V > + 0 0 9 1,-0.2 3,-2.2 534,-0.1 2,-0.8 0.869 360.0 89.2 -55.0 -46.7 55.9 -50.2 54.3 3 56 A T T 3 S+ 0 0 65 1,-0.4 -1,-0.2 572,-0.1 3,-0.1 -0.859 101.8 10.6-102.8 106.7 54.0 -51.9 51.5 4 57 A G T > S+ 0 0 40 -2,-0.8 3,-0.5 1,-0.1 -1,-0.4 0.217 75.1 143.0-132.1 125.8 51.5 -50.9 51.8 5 58 A L T < S+ 0 0 25 -3,-2.2 -1,-0.1 1,-0.2 3,-0.1 -0.613 77.0 38.3 -86.3 157.9 50.6 -48.0 54.2 6 59 A G T 3 S+ 0 0 21 1,-0.3 96,-2.0 -2,-0.2 -1,-0.2 0.610 95.7 125.1 74.5 11.8 48.0 -45.5 53.1 7 60 A K E < -A 101 0A 43 -3,-0.5 -1,-0.3 94,-0.2 2,-0.2 -0.473 49.3-158.1 -97.1 171.3 46.1 -48.4 51.6 8 61 A L E -A 100 0A 29 92,-0.9 92,-2.2 -2,-0.2 2,-0.4 -0.765 15.0-167.1-152.4 98.6 42.5 -49.7 52.1 9 62 A V E -A 99 0A 99 -2,-0.2 2,-0.4 90,-0.2 90,-0.2 -0.753 7.0-176.7 -99.5 134.5 41.9 -53.3 51.3 10 63 A K E -A 98 0A 13 88,-2.2 88,-2.3 -2,-0.4 2,-0.2 -0.992 11.4-153.1-126.5 136.4 38.5 -54.9 51.0 11 64 A S E > -A 97 0A 31 -2,-0.4 4,-1.7 86,-0.2 86,-0.2 -0.478 33.1-102.4-101.3 174.8 37.9 -58.6 50.3 12 65 A S H > S+ 0 0 20 84,-1.5 4,-1.9 1,-0.2 5,-0.1 0.870 124.3 49.8 -61.7 -37.9 35.1 -60.5 48.6 13 66 A D H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 105.8 54.7 -68.9 -43.5 33.8 -61.5 52.1 14 67 A T H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 109.1 50.9 -55.5 -38.1 34.0 -57.9 53.4 15 68 A L H X>S+ 0 0 8 -4,-1.7 5,-1.8 2,-0.2 4,-0.5 0.935 110.1 46.0 -67.1 -48.7 31.8 -57.0 50.5 16 69 A S H <5S+ 0 0 16 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.815 111.8 53.7 -65.6 -30.4 29.1 -59.7 51.0 17 70 A K H <5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.7 42.8 -71.2 -40.1 29.0 -58.8 54.7 18 71 A E H <5S- 0 0 47 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.464 108.8-127.4 -85.7 -0.8 28.4 -55.1 54.2 19 72 A Q T <5 + 0 0 6 -4,-0.5 2,-0.7 -3,-0.2 -3,-0.2 0.931 39.2 178.2 53.4 53.6 25.8 -56.0 51.4 20 73 A V < + 0 0 1 -5,-1.8 -1,-0.2 1,-0.2 -2,-0.1 -0.793 20.3 147.6 -90.0 116.8 27.4 -53.8 48.8 21 74 A L + 0 0 13 -2,-0.7 2,-0.2 71,-0.0 71,-0.2 0.629 59.1 58.6-117.4 -31.3 25.5 -54.1 45.5 22 75 A N S >> S- 0 0 29 1,-0.1 4,-0.8 70,-0.0 3,-0.8 -0.655 85.2-118.6-101.4 158.8 25.9 -50.6 44.1 23 76 A I H 3> S+ 0 0 10 1,-0.2 4,-0.5 -2,-0.2 3,-0.2 0.770 116.4 57.8 -64.9 -23.7 29.2 -48.7 43.3 24 77 A R H 34 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.732 97.9 58.8 -79.6 -24.1 28.0 -46.2 45.9 25 78 A D H X4 S+ 0 0 10 -3,-0.8 3,-1.1 1,-0.2 4,-0.3 0.780 91.8 72.9 -71.3 -27.7 27.8 -48.8 48.7 26 79 A L H 3< S+ 0 0 1 -4,-0.8 3,-0.2 1,-0.3 -1,-0.2 0.850 111.4 21.4 -63.1 -43.1 31.5 -49.7 48.3 27 80 A T T >< S+ 0 0 5 -4,-0.5 3,-1.4 -3,-0.2 -1,-0.3 0.063 89.4 119.4-112.1 23.2 33.1 -46.6 49.9 28 81 A R T < S+ 0 0 42 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.764 83.2 34.9 -59.4 -31.1 29.9 -45.6 51.8 29 82 A Y T 3 S+ 0 0 23 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.237 99.8 90.5-110.6 11.4 31.7 -45.9 55.2 30 83 A D X - 0 0 22 -3,-1.4 3,-1.2 3,-0.2 -1,-0.1 -0.863 67.5-151.5-111.7 98.3 35.1 -44.6 54.0 31 84 A P T 3 S+ 0 0 8 0, 0.0 670,-0.1 0, 0.0 672,-0.1 -0.395 78.3 34.8 -68.9 143.4 35.3 -40.9 54.4 32 85 A G T 3 S+ 0 0 10 696,-0.3 17,-0.7 670,-0.1 2,-0.4 0.347 103.7 82.4 95.6 -4.7 37.6 -39.0 51.9 33 86 A I E < +E 48 0B 0 -3,-1.2 2,-0.3 -6,-0.2 -3,-0.2 -0.953 57.5 163.6-136.5 115.8 36.8 -41.4 49.1 34 87 A A E -E 47 0B 4 13,-1.5 13,-1.7 -2,-0.4 2,-0.5 -0.868 37.2-112.2-133.8 161.4 33.6 -40.9 47.0 35 88 A V E -E 46 0B 8 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.828 30.0-134.0 -96.6 127.0 31.9 -41.8 43.7 36 89 A V E - 0 0 9 9,-1.8 8,-2.9 -2,-0.5 783,-0.1 -0.702 21.1-126.6 -85.9 118.3 31.4 -39.0 41.1 37 90 A E E -E 43 0B 26 -2,-0.6 791,-0.3 781,-0.5 6,-0.2 -0.318 8.6-150.7 -63.8 142.9 27.9 -39.0 39.6 38 91 A Q - 0 0 0 4,-1.8 5,-0.2 789,-0.1 -1,-0.1 0.636 37.8-115.3 -93.3 -17.2 27.9 -39.0 35.8 39 92 A G S S+ 0 0 6 3,-0.5 790,-0.1 46,-0.0 -2,-0.1 -0.101 102.9 58.3 111.4 -35.3 24.6 -37.1 35.4 40 93 A R S S- 0 0 28 44,-0.2 308,-0.1 247,-0.0 3,-0.1 -0.070 126.8 -77.1-120.1 33.6 22.3 -39.7 33.9 41 94 A G S S+ 0 0 25 1,-0.4 245,-0.1 211,-0.1 211,-0.0 0.140 104.3 98.7 99.2 -20.9 22.5 -42.5 36.5 42 95 A A - 0 0 0 243,-0.1 -4,-1.8 42,-0.1 -3,-0.5 -0.140 67.8-122.2 -80.8-172.5 25.9 -43.9 35.6 43 96 A S E -E 37 0B 2 44,-0.4 44,-2.3 -6,-0.2 -6,-0.2 -0.932 5.6-149.3-132.9 159.6 29.1 -43.0 37.5 44 97 A S E - 0 0 0 -8,-2.9 9,-0.2 1,-0.4 2,-0.1 -0.318 54.2 -86.1-126.1 51.4 32.5 -41.6 36.4 45 98 A G E - 0 0 5 42,-0.4 -9,-1.8 7,-0.1 -1,-0.4 -0.447 63.5 -45.6 85.1-155.7 35.1 -43.1 38.7 46 99 A Y E -E 35 0B 8 7,-0.4 7,-1.1 10,-0.3 2,-0.4 -0.553 31.8-134.5-119.4 175.5 36.2 -41.9 42.1 47 100 A S E +EF 34 52B 4 -13,-1.7 -13,-1.5 5,-0.2 2,-0.4 -0.917 30.2 163.6-137.6 108.5 37.3 -38.8 44.1 48 101 A I E > -EF 33 51B 0 3,-1.7 3,-2.0 -2,-0.4 -15,-0.1 -0.977 62.8 -6.9-131.0 138.7 40.3 -38.9 46.4 49 102 A R T 3 S- 0 0 6 -17,-0.7 -1,-0.1 -2,-0.4 3,-0.1 0.765 129.2 -51.1 53.2 30.6 42.5 -36.2 48.0 50 103 A G T 3 S+ 0 0 6 1,-0.3 675,-0.3 -18,-0.2 -1,-0.3 0.135 120.8 92.4 99.1 -20.8 40.6 -33.4 46.2 51 104 A M E < +F 48 0B 1 -3,-2.0 -3,-1.7 674,-0.1 -1,-0.3 -0.683 48.3 173.5-106.7 162.0 40.9 -34.8 42.6 52 105 A D E > +F 47 0B 15 -5,-0.3 3,-1.8 -2,-0.2 -5,-0.2 -0.826 40.8 26.1-149.9-172.9 38.5 -37.1 40.7 53 106 A K G > S+ 0 0 54 -7,-1.1 3,-1.4 1,-0.3 -7,-0.4 -0.277 126.8 7.3 53.6-119.6 37.7 -38.8 37.4 54 107 A N G 3 S+ 0 0 23 1,-0.3 -1,-0.3 14,-0.1 60,-0.2 0.360 119.1 76.0 -76.5 5.6 40.9 -39.3 35.3 55 108 A R G < S+ 0 0 39 -3,-1.8 60,-2.8 -9,-0.2 61,-0.6 0.404 93.3 53.9 -98.6 -0.5 43.1 -38.2 38.2 56 109 A V E < S-b 116 0A 9 -3,-1.4 -10,-0.3 58,-0.2 57,-0.3 -0.987 89.5-128.1-130.2 126.9 42.6 -41.5 40.1 57 110 A S E -b 117 0A 11 59,-1.6 61,-3.1 -2,-0.4 2,-0.5 -0.445 14.8-158.0 -78.6 144.3 43.4 -44.7 38.2 58 111 A L E +b 118 0A 19 59,-0.2 7,-2.2 -2,-0.1 2,-0.3 -0.969 19.0 176.2-124.4 113.2 41.0 -47.6 37.9 59 112 A T E -bC 119 64A 7 59,-2.9 61,-2.5 -2,-0.5 2,-0.4 -0.888 22.8-165.0-124.2 151.3 42.4 -51.0 37.2 60 113 A V E > S-bC 120 63A 2 3,-2.4 3,-1.7 -2,-0.3 61,-0.2 -0.956 84.2 -22.1-131.6 113.5 41.2 -54.6 36.9 61 114 A D T 3 S- 0 0 26 59,-2.8 60,-0.1 -2,-0.4 3,-0.1 0.839 128.7 -49.2 54.6 37.6 43.9 -57.3 36.9 62 115 A G T 3 S+ 0 0 34 58,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.376 116.0 114.8 89.0 -3.7 46.6 -54.8 35.9 63 116 A V E < -C 60 0A 0 -3,-1.7 -3,-2.4 363,-0.0 -1,-0.2 -0.887 63.3-131.3-106.7 122.0 44.5 -53.4 33.0 64 117 A S E -C 59 0A 49 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.340 22.6-135.5 -67.6 148.6 43.3 -49.8 33.1 65 118 A Q - 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