==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-AUG-12 4B7O . COMPND 2 MOLECULE: IRON-REGULATED OUTER MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR M.SALEEM,S.M.PRINCE,J.P.DERRICK . 649 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 324 49.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 2 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 . 45 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 5 2 1 2 1 1 2 2 0 4 0 4 2 0 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 61 A D 0 0 100 0, 0.0 3,-0.1 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 112.7 -20.5 -38.8 41.9 2 62 A R + 0 0 91 1,-0.1 403,-0.1 465,-0.0 456,-0.1 0.054 360.0 83.5-135.6 31.9 -16.8 -39.3 41.7 3 63 A Q S > S- 0 0 50 1,-0.4 3,-1.6 4,-0.4 2,-0.5 -0.024 93.9-112.3-121.1 35.3 -15.6 -39.5 38.1 4 64 A G T 3 S- 0 0 2 1,-0.3 -1,-0.4 452,-0.2 465,-0.2 -0.676 81.9 -28.1 76.2-128.5 -15.3 -35.8 37.5 5 65 A S T 3 S+ 0 0 5 -2,-0.5 -1,-0.3 463,-0.2 3,-0.2 0.349 117.1 99.6-100.5 -0.2 -17.9 -34.8 35.0 6 66 A K S < S+ 0 0 5 -3,-1.6 85,-2.4 462,-0.2 2,-0.4 0.826 91.7 23.5 -56.1 -35.9 -18.0 -38.3 33.5 7 67 A I E -A 90 0A 29 83,-0.2 2,-0.6 -3,-0.2 -4,-0.4 -0.975 63.3-179.7-141.7 112.7 -21.1 -39.3 35.4 8 68 A R E > -A 89 0A 76 81,-1.4 81,-2.7 -2,-0.4 3,-0.6 -0.950 14.3-164.8-116.1 107.5 -23.6 -36.9 36.7 9 69 A T E 3 + 0 0 65 -2,-0.6 79,-0.2 1,-0.2 -2,-0.0 -0.740 69.4 10.6 -98.5 146.6 -26.4 -38.7 38.5 10 70 A N E 3 + 0 0 85 -2,-0.3 -1,-0.2 2,-0.1 78,-0.2 0.889 67.3 164.9 52.4 44.2 -29.7 -37.0 39.3 11 71 A I E < S+ 0 0 31 76,-1.1 2,-0.4 -3,-0.6 77,-0.2 0.911 77.8 22.9 -48.7 -40.7 -28.9 -34.0 37.2 12 72 A V E S-A 87 0A 10 75,-1.7 75,-1.8 17,-0.0 2,-0.3 -0.995 76.6-167.8-135.2 145.1 -32.5 -33.4 37.6 13 73 A T E > -A 86 0A 40 -2,-0.4 4,-2.7 73,-0.2 73,-0.2 -0.774 34.0-111.2-125.3 160.0 -34.8 -34.6 40.3 14 74 A L H > S+ 0 0 19 71,-0.9 4,-2.4 -2,-0.3 5,-0.2 0.915 118.7 53.4 -66.1 -43.1 -38.6 -34.6 40.5 15 75 A Q H 4 S+ 0 0 81 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.870 113.2 46.8 -61.8 -30.3 -38.7 -32.1 43.3 16 76 A Q H >4 S+ 0 0 84 2,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.892 108.6 52.9 -74.5 -41.4 -36.5 -29.9 41.0 17 77 A K H >< S+ 0 0 22 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.875 101.1 61.8 -59.9 -35.1 -38.6 -30.4 37.9 18 78 A D T 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 103.2 51.4 -63.9 -20.2 -41.7 -29.4 39.9 19 79 A E T < S+ 0 0 24 -3,-1.1 -1,-0.3 -4,-0.4 2,-0.2 0.395 101.4 81.0 -95.8 0.1 -40.0 -26.0 40.3 20 80 A S < - 0 0 42 -3,-1.9 596,-0.1 -4,-0.1 598,-0.1 -0.689 66.8-146.2-111.0 164.3 -39.4 -25.6 36.7 21 81 A T + 0 0 20 -2,-0.2 626,-0.1 596,-0.1 -1,-0.1 0.543 61.2 119.6-104.6 -4.5 -41.4 -24.4 33.7 22 82 A A - 0 0 18 1,-0.1 -2,-0.1 -5,-0.1 3,-0.1 -0.199 36.4-178.9 -68.3 142.0 -39.7 -26.7 31.2 23 83 A T + 0 0 28 1,-0.1 59,-0.3 58,-0.0 2,-0.3 0.375 67.3 46.5-126.1 2.0 -41.7 -29.4 29.3 24 84 A D S > S- 0 0 24 56,-0.1 4,-2.0 57,-0.1 3,-0.4 -0.929 83.9-112.1-129.0 171.5 -38.9 -30.9 27.2 25 85 A M H > S+ 0 0 7 54,-0.4 4,-2.3 -2,-0.3 -1,-0.1 0.835 109.3 67.1 -64.4 -37.0 -35.4 -32.2 27.9 26 86 A R H 4 S+ 0 0 38 1,-0.2 -1,-0.2 2,-0.2 11,-0.1 0.900 111.0 33.6 -53.1 -43.5 -33.8 -29.5 25.9 27 87 A E H >4 S+ 0 0 38 -3,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.893 114.6 58.3 -78.6 -41.5 -34.9 -26.8 28.4 28 88 A L H 3< S+ 0 0 28 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.823 114.6 35.8 -55.2 -38.8 -34.6 -29.0 31.4 29 89 A L T >< S+ 0 0 4 -4,-2.3 3,-1.1 1,-0.2 -1,-0.3 -0.122 79.9 120.8-107.5 32.8 -30.9 -29.8 30.9 30 90 A K T < S+ 0 0 21 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.734 70.1 57.8 -73.1 -19.6 -30.0 -26.3 29.5 31 91 A E T 3 S+ 0 0 36 -3,-0.3 -1,-0.2 -4,-0.2 518,-0.1 0.481 83.0 93.2 -85.8 -7.7 -27.4 -25.7 32.2 32 92 A E X - 0 0 8 -3,-1.1 3,-1.2 1,-0.1 -3,-0.1 -0.798 63.2-162.8 -87.2 107.4 -25.5 -28.8 31.3 33 93 A P T 3 S+ 0 0 14 0, 0.0 486,-0.2 0, 0.0 514,-0.2 0.640 79.6 56.6 -73.3 -16.9 -22.8 -27.6 28.9 34 94 A S T 3 S+ 0 0 5 484,-0.1 16,-2.3 16,-0.1 2,-0.5 0.544 95.9 73.5 -94.8 2.5 -21.7 -30.8 27.2 35 95 A I E < -E 49 0B 1 -3,-1.2 2,-0.4 14,-0.2 14,-0.2 -0.945 65.3-178.4-108.9 126.8 -25.2 -31.7 26.1 36 96 A D E -E 48 0B 10 12,-2.2 12,-2.3 -2,-0.5 2,-0.4 -0.984 10.5-153.4-130.4 141.4 -26.5 -29.7 23.2 37 97 A F E -E 47 0B 12 -2,-0.4 594,-0.4 10,-0.2 10,-0.2 -0.881 14.6-124.2-113.7 146.1 -29.8 -29.7 21.4 38 98 A G - 0 0 0 8,-2.0 594,-0.1 -2,-0.4 592,-0.1 -0.415 37.7 -97.2 -73.9 158.8 -30.9 -28.8 17.9 39 99 A G S S+ 0 0 1 599,-0.5 601,-0.2 590,-0.2 -1,-0.1 -0.159 77.9 53.5 -62.2 163.9 -33.7 -26.3 17.2 40 100 A G S S- 0 0 2 599,-0.6 2,-0.2 5,-0.1 601,-0.1 -0.232 82.7 -66.1 98.7 175.6 -37.3 -27.2 16.5 41 101 A N S > S- 0 0 10 182,-0.1 3,-2.1 3,-0.1 4,-0.1 -0.684 85.0 -19.6-111.0 157.7 -39.9 -29.3 18.1 42 102 A G G > S- 0 0 10 1,-0.3 3,-1.8 -2,-0.2 33,-0.1 -0.180 131.8 -3.8 53.5-131.9 -40.2 -33.0 18.8 43 103 A T G 3 S+ 0 0 5 1,-0.3 32,-3.6 31,-0.1 -1,-0.3 0.360 112.0 90.2 -84.0 4.9 -38.0 -35.2 16.6 44 104 A S G < S+ 0 0 8 -3,-2.1 -1,-0.3 30,-0.2 2,-0.2 0.757 77.5 90.9 -52.2 -30.4 -36.9 -32.1 14.8 45 105 A Q < - 0 0 7 -3,-1.8 2,-0.4 30,-0.1 587,-0.1 -0.538 59.8-164.5 -85.0 136.3 -34.2 -32.1 17.5 46 106 A F - 0 0 3 585,-0.5 -8,-2.0 -2,-0.2 2,-0.4 -0.937 13.8-146.6-112.6 142.3 -30.8 -33.8 17.4 47 107 A L E -E 37 0B 3 -2,-0.4 7,-0.6 -10,-0.2 2,-0.4 -0.854 12.4-170.6-114.1 137.3 -28.9 -34.3 20.6 48 108 A T E -EF 36 53B 1 -12,-2.3 -12,-2.2 -2,-0.4 2,-0.5 -0.980 8.8-166.1-127.7 149.2 -25.1 -34.3 21.1 49 109 A L E > S-EF 35 52B 3 3,-2.8 3,-2.7 -2,-0.4 -14,-0.2 -0.998 86.8 -14.4-131.7 117.1 -23.1 -35.3 24.0 50 110 A R T 3 S- 0 0 8 -16,-2.3 472,-0.2 -2,-0.5 -1,-0.1 0.843 131.1 -56.4 50.0 38.1 -19.5 -34.1 23.9 51 111 A G T 3 S+ 0 0 2 -17,-0.5 491,-1.2 1,-0.3 2,-0.4 0.408 113.1 121.4 78.4 -3.0 -20.2 -33.4 20.3 52 112 A M E < -FG 49 541B 0 -3,-2.7 -3,-2.8 489,-0.2 489,-0.3 -0.794 53.1-140.2-100.2 139.4 -21.2 -37.0 19.5 53 113 A G E >> -F 48 0B 0 487,-2.3 3,-2.7 -2,-0.4 4,-1.7 -0.206 32.5 -81.4 -94.0-174.4 -24.7 -37.5 18.2 54 114 A Q T 34 S+ 0 0 4 -7,-0.6 486,-0.2 1,-0.3 485,-0.1 0.614 115.0 79.8 -69.1 -10.6 -27.6 -40.0 18.7 55 115 A N T 34 S+ 0 0 5 484,-2.9 -1,-0.3 1,-0.2 485,-0.2 0.802 116.1 16.4 -58.6 -24.0 -26.0 -42.4 16.4 56 116 A S T <4 S+ 0 0 4 -3,-2.7 48,-0.7 483,-0.5 2,-0.6 0.589 115.3 75.5-123.8 -17.9 -23.7 -43.2 19.4 57 117 A V < - 0 0 2 -4,-1.7 49,-0.2 -10,-0.2 -1,-0.1 -0.886 65.7-155.8-103.7 124.2 -25.5 -41.8 22.4 58 118 A D E -b 106 0A 7 47,-1.4 49,-2.3 -2,-0.6 2,-0.5 -0.417 12.1-140.7 -86.1 165.3 -28.5 -43.7 23.7 59 119 A I E -b 107 0A 26 7,-0.3 2,-0.5 47,-0.2 7,-0.2 -0.990 25.8-163.3-121.8 118.3 -31.4 -42.4 25.7 60 120 A K E -b 108 0A 6 47,-3.6 49,-3.9 -2,-0.5 2,-0.5 -0.884 11.8-175.5-111.7 128.3 -32.3 -45.0 28.3 61 121 A V E > S-bC 109 64A 4 3,-1.8 3,-1.0 -2,-0.5 49,-0.2 -0.991 78.8 -16.2-126.6 129.6 -35.5 -45.1 30.1 62 122 A D T 3 S- 0 0 31 47,-2.2 -1,-0.1 -2,-0.5 48,-0.1 0.746 125.8 -61.6 45.0 33.2 -36.0 -47.7 32.8 63 123 A N T 3 S+ 0 0 52 46,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.863 111.8 113.6 67.9 35.4 -33.0 -49.4 31.2 64 124 A A B < +C 61 0A 2 -3,-1.0 -3,-1.8 193,-0.1 2,-0.3 -0.993 32.3 146.4-134.9 135.8 -34.6 -50.0 27.8 65 125 A Y - 0 0 9 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.1 -0.987 28.9-148.9-165.5 159.1 -33.3 -48.4 24.7 66 126 A S - 0 0 27 -2,-0.3 -7,-0.3 -7,-0.2 222,-0.0 -0.860 8.1-151.5-134.6 156.9 -33.0 -49.1 21.0 67 127 A D + 0 0 1 -2,-0.3 2,-0.1 -9,-0.1 -1,-0.1 0.445 64.1 98.0-118.5 1.8 -30.4 -47.8 18.6 68 128 A S - 0 0 2 357,-0.1 2,-0.3 360,-0.0 -2,-0.1 -0.376 57.2-150.2 -83.0 162.1 -32.3 -47.9 15.3 69 129 A Q - 0 0 9 357,-0.4 360,-2.5 358,-0.2 361,-0.1 -0.912 22.3-130.0-129.3 162.8 -33.9 -44.8 13.9 70 130 A I S S- 0 0 6 -2,-0.3 360,-2.3 1,-0.3 2,-0.3 0.935 85.9 -24.0 -67.6 -57.3 -36.9 -43.7 11.7 71 131 A L > - 0 0 1 3,-0.2 3,-1.5 357,-0.2 -1,-0.3 -0.962 52.8-119.9-165.1 150.5 -35.0 -41.4 9.2 72 132 A Y T 3 S+ 0 0 60 1,-0.3 467,-0.2 -2,-0.3 4,-0.1 0.641 105.0 72.3 -75.8 -11.4 -31.8 -39.5 9.1 73 133 A H T 3 S+ 0 0 11 148,-0.1 151,-2.8 2,-0.1 2,-0.3 0.244 102.3 44.6 -83.2 9.7 -33.7 -36.2 8.5 74 134 A Q S < S- 0 0 4 -3,-1.5 -30,-0.2 149,-0.2 -3,-0.2 -0.977 88.1-105.6-149.7 159.4 -35.0 -36.3 12.1 75 135 A G - 0 0 4 -32,-3.6 -29,-0.2 -2,-0.3 -5,-0.1 -0.409 45.5 -91.2 -84.0 162.5 -33.5 -36.9 15.5 76 136 A R - 0 0 19 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.406 61.7 -78.3 -71.0 150.8 -34.2 -40.1 17.5 77 137 A F - 0 0 6 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.248 45.3-153.8 -55.8 127.6 -37.2 -39.9 19.8 78 138 A I - 0 0 24 -3,-0.1 -53,-0.1 1,-0.0 -1,-0.1 -0.922 20.9-115.5-108.7 126.6 -36.5 -38.0 23.1 79 139 A V - 0 0 4 -2,-0.5 -54,-0.4 1,-0.1 -1,-0.0 0.008 26.0-110.0 -63.6 157.3 -38.7 -38.9 26.1 80 140 A D > - 0 0 21 1,-0.1 3,-2.2 -56,-0.1 4,-0.4 -0.755 16.9-140.8 -96.1 123.0 -41.0 -36.4 27.8 81 141 A P G > S+ 0 0 5 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.678 93.8 78.5 -55.6 -23.2 -39.9 -35.2 31.2 82 142 A A G 3 S+ 0 0 34 -59,-0.3 30,-0.1 1,-0.2 -58,-0.0 0.864 97.0 46.2 -53.0 -33.6 -43.4 -35.4 32.5 83 143 A L G < S+ 0 0 5 -3,-2.2 29,-2.8 28,-0.1 -1,-0.2 0.707 98.7 87.0 -82.0 -20.4 -43.0 -39.1 32.8 84 144 A V E < - D 0 111A 1 -3,-0.7 27,-0.3 -4,-0.4 3,-0.1 -0.434 47.1-170.8 -90.9 155.2 -39.6 -39.2 34.5 85 145 A K E S+ 0 0 52 25,-3.8 -71,-0.9 1,-0.4 2,-0.3 0.686 80.2 11.4-103.6 -26.4 -38.5 -39.0 38.2 86 146 A V E -AD 13 110A 13 24,-1.3 24,-2.0 -73,-0.2 -1,-0.4 -0.990 59.2-160.5-151.4 141.0 -34.8 -38.6 37.7 87 147 A V E +AD 12 109A 0 -75,-1.8 -75,-1.7 -2,-0.3 -76,-1.1 -0.999 18.1 175.2-125.9 131.6 -32.5 -37.9 34.7 88 148 A S E - D 0 108A 11 20,-2.9 20,-2.4 -2,-0.4 2,-0.3 -0.751 18.0-134.9-124.1 169.9 -28.7 -38.8 34.8 89 149 A V E -AD 8 107A 0 -81,-2.7 -81,-1.4 -2,-0.2 2,-0.4 -0.985 13.2-175.7-130.5 148.4 -25.7 -38.6 32.3 90 150 A Q E -AD 7 106A 63 16,-1.5 16,-2.1 -2,-0.3 2,-0.3 -0.981 16.9-163.7-139.1 122.1 -22.9 -41.0 31.4 91 151 A K - 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