==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 11-FEB-12 4AIQ . COMPND 2 MOLECULE: FERRIC ENTEROBACTIN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR M.SALEEM,S.M.PRINCE,J.P.DERRICK . 660 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 71.4 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 . 321 48.6 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 . 1 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 . 48 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 3.5 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 2 1 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 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 2 1 0 2 2 2 0 4 0 4 2 1 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 1 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 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 67 A I 0 0 66 0, 0.0 2,-0.5 0, 0.0 513,-0.1 0.000 360.0 360.0 360.0 -18.3 -20.1 12.0 5.9 2 68 A R - 0 0 51 1,-0.1 3,-0.4 3,-0.1 24,-0.1 -0.808 360.0-168.5 -96.0 124.8 -19.7 9.3 3.2 3 69 A T S S+ 0 0 33 -2,-0.5 22,-0.1 1,-0.2 -1,-0.1 0.582 78.9 68.9 -88.0 -11.5 -20.7 10.3 -0.4 4 70 A N S S+ 0 0 56 1,-0.1 79,-2.1 21,-0.1 2,-0.4 0.622 100.0 45.7 -84.7 -16.5 -20.6 6.7 -1.8 5 71 A I E -A 82 0A 63 -3,-0.4 2,-0.5 77,-0.2 77,-0.2 -0.991 59.6-166.4-130.2 134.7 -23.6 5.3 0.1 6 72 A V E -A 81 0A 18 75,-2.1 75,-1.5 -2,-0.4 2,-0.1 -0.966 13.1-153.7-122.3 124.7 -27.0 6.7 0.8 7 73 A T E > -A 80 0A 53 -2,-0.5 4,-1.4 73,-0.2 73,-0.2 -0.294 28.3-106.9 -82.8 167.6 -29.2 5.1 3.4 8 74 A L H >> S+ 0 0 16 71,-1.2 4,-2.1 2,-0.2 3,-1.0 0.974 118.2 50.5 -59.0 -60.3 -33.1 5.1 3.5 9 75 A Q H 3> S+ 0 0 86 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.871 110.6 53.0 -53.2 -38.1 -33.5 7.6 6.3 10 76 A Q H >4 S+ 0 0 70 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.862 107.9 49.5 -57.1 -41.2 -31.1 9.9 4.4 11 77 A K H X< S+ 0 0 27 -4,-1.4 3,-1.6 -3,-1.0 -2,-0.2 0.776 101.5 62.3 -72.4 -32.5 -33.2 9.6 1.2 12 78 A D H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.733 102.1 53.1 -62.7 -20.4 -36.4 10.4 3.2 13 79 A E T << S+ 0 0 33 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.3 0.156 103.8 80.1 -94.9 10.2 -34.7 13.9 3.9 14 80 A S < - 0 0 38 -3,-1.6 611,-0.1 2,-0.1 613,-0.1 -0.822 67.4-148.2-130.4 158.6 -34.2 14.3 0.2 15 81 A T + 0 0 18 -2,-0.3 2,-0.1 6,-0.1 641,-0.1 0.409 59.2 114.9-112.0 -4.3 -36.3 15.4 -2.7 16 82 A A - 0 0 22 1,-0.1 -2,-0.1 -5,-0.1 3,-0.1 -0.362 40.7-171.3 -76.5 148.5 -34.8 13.4 -5.5 17 83 A T + 0 0 26 -2,-0.1 2,-0.3 1,-0.1 59,-0.2 0.232 67.7 48.6-129.7 14.2 -36.7 10.6 -7.3 18 84 A D S >> S- 0 0 19 56,-0.1 4,-1.7 57,-0.1 3,-0.7 -0.959 83.3-111.3-144.7 158.7 -33.9 9.1 -9.4 19 85 A M H 3> S+ 0 0 4 54,-0.5 4,-2.9 -2,-0.3 5,-0.1 0.881 109.3 63.8 -55.3 -48.2 -30.3 7.8 -8.8 20 86 A R H 34 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.2 11,-0.2 0.830 111.8 37.2 -51.2 -33.7 -28.6 10.5 -10.8 21 87 A E H X4 S+ 0 0 34 -3,-0.7 3,-1.1 1,-0.2 -1,-0.2 0.824 115.9 54.6 -86.3 -32.3 -29.8 13.2 -8.3 22 88 A L H 3< S+ 0 0 21 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.850 115.5 36.8 -66.2 -35.2 -29.4 10.9 -5.4 23 89 A L T >< S+ 0 0 4 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.072 79.6 116.5-105.2 25.5 -25.8 10.2 -6.1 24 90 A K T < S+ 0 0 18 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.733 70.8 59.3 -76.5 -17.2 -24.8 13.6 -7.3 25 91 A E T 3 S+ 0 0 13 -3,-0.3 -1,-0.3 -4,-0.2 533,-0.1 0.458 84.9 88.4 -80.9 -1.7 -22.4 14.2 -4.5 26 92 A E X - 0 0 6 -3,-1.7 3,-1.2 1,-0.1 531,-0.1 -0.840 65.6-160.2 -95.9 109.1 -20.3 11.1 -5.4 27 93 A P T 3 S+ 0 0 6 0, 0.0 501,-0.2 0, 0.0 -1,-0.1 0.773 78.1 59.6 -70.4 -23.9 -17.7 12.3 -7.9 28 94 A S T 3 S+ 0 0 6 499,-0.1 16,-2.5 16,-0.1 2,-0.5 0.447 95.4 70.4 -90.1 2.2 -16.6 9.0 -9.6 29 95 A I E < -E 43 0B 2 -3,-1.2 2,-0.4 14,-0.2 14,-0.2 -0.966 65.0-176.6-107.9 136.3 -20.1 8.2 -10.9 30 96 A D E -E 42 0B 9 12,-2.1 12,-2.8 -2,-0.5 2,-0.4 -0.997 9.7-154.4-131.7 137.2 -21.5 10.3 -13.6 31 97 A F E -E 41 0B 11 -2,-0.4 609,-0.5 10,-0.2 10,-0.2 -0.855 15.0-126.2-107.5 147.4 -24.8 10.3 -15.3 32 98 A G - 0 0 0 8,-2.2 7,-0.1 -2,-0.4 609,-0.1 -0.278 36.8 -91.2 -75.0 168.3 -25.9 11.4 -18.7 33 99 A G S S+ 0 0 0 614,-0.4 616,-0.2 605,-0.2 -1,-0.2 -0.263 78.9 50.3 -74.6 163.6 -28.7 13.8 -19.4 34 100 A G S S- 0 0 2 614,-0.6 2,-0.2 5,-0.1 616,-0.1 -0.244 84.6 -65.8 94.1 176.8 -32.3 13.0 -20.1 35 101 A N S > S- 0 0 6 182,-0.1 3,-2.0 -2,-0.1 4,-0.1 -0.655 85.4 -20.7-110.1 156.1 -34.8 10.9 -18.3 36 102 A G G > S- 0 0 9 1,-0.3 3,-1.8 -2,-0.2 144,-0.0 -0.148 131.0 -0.8 46.6-128.3 -35.0 7.2 -17.8 37 103 A T G 3 S+ 0 0 3 1,-0.3 32,-4.0 31,-0.1 -1,-0.3 0.357 112.0 85.4 -83.4 6.8 -33.0 5.1 -20.2 38 104 A S G < S+ 0 0 8 -3,-2.0 -1,-0.3 30,-0.2 2,-0.3 0.750 79.6 96.5 -57.7 -27.3 -31.8 8.2 -22.1 39 105 A Q < - 0 0 7 -3,-1.8 2,-0.3 -4,-0.1 -5,-0.1 -0.501 58.5-166.8 -82.3 128.3 -29.2 8.0 -19.2 40 106 A F - 0 0 2 600,-0.5 -8,-2.2 -2,-0.3 2,-0.4 -0.793 14.2-144.5-102.6 154.8 -25.8 6.4 -19.5 41 107 A L E -E 31 0B 0 -2,-0.3 7,-0.4 -10,-0.2 2,-0.4 -0.944 12.3-168.5-123.6 137.5 -23.7 5.7 -16.4 42 108 A T E -E 30 0B 2 -12,-2.8 -12,-2.1 -2,-0.4 2,-0.4 -0.992 8.9-167.8-128.2 149.6 -20.0 5.8 -15.8 43 109 A L E > S-EF 29 46B 4 3,-2.2 3,-1.7 -2,-0.4 -14,-0.2 -0.996 89.2 -16.0-125.8 117.0 -17.8 4.6 -12.9 44 110 A R T 3 S- 0 0 16 -16,-2.5 487,-0.2 -2,-0.4 -1,-0.1 0.864 131.5 -55.9 49.7 36.9 -14.3 5.9 -12.9 45 111 A G T 3 S+ 0 0 3 -17,-0.5 506,-1.5 1,-0.2 2,-0.4 0.587 111.6 122.5 79.7 10.9 -15.1 6.8 -16.5 46 112 A M B < -FG 43 550B 1 -3,-1.7 -3,-2.2 504,-0.2 504,-0.4 -0.887 52.3-131.8-115.8 138.8 -16.1 3.2 -17.6 47 113 A G >> - 0 0 0 502,-1.7 4,-2.2 -2,-0.4 3,-2.0 -0.028 30.4 -86.1 -91.1-175.0 -19.6 2.5 -19.0 48 114 A Q T 34 S+ 0 0 5 -7,-0.4 501,-0.2 499,-0.3 500,-0.1 0.690 115.7 76.3 -67.3 -17.0 -22.4 0.0 -18.5 49 115 A N T 34 S+ 0 0 7 499,-4.3 -1,-0.3 1,-0.2 500,-0.1 0.741 117.2 19.5 -55.3 -18.3 -20.7 -2.4 -20.9 50 116 A S T <4 S+ 0 0 2 -3,-2.0 2,-0.6 498,-0.4 48,-0.5 0.672 115.6 72.0-123.4 -36.0 -18.5 -3.0 -17.8 51 117 A V < - 0 0 4 -4,-2.2 2,-0.2 -10,-0.2 -1,-0.2 -0.844 63.5-157.3-104.5 119.1 -20.4 -1.7 -14.7 52 118 A D E -b 100 0A 9 47,-0.6 49,-2.0 -2,-0.6 2,-0.6 -0.527 13.9-143.2 -88.2 146.7 -23.4 -3.7 -13.4 53 119 A I E -b 101 0A 27 7,-0.3 2,-0.5 47,-0.2 7,-0.3 -0.957 24.6-168.7-101.2 122.1 -26.4 -2.5 -11.2 54 120 A K E -b 102 0A 11 47,-2.6 49,-1.6 -2,-0.6 2,-0.4 -0.964 5.4-171.1-115.9 124.2 -27.1 -5.4 -8.9 55 121 A V E > S-bC 103 58A 5 3,-2.1 3,-1.7 -2,-0.5 49,-0.2 -0.991 76.9 -11.6-121.7 134.8 -30.3 -5.2 -6.9 56 122 A D T 3 S- 0 0 29 47,-2.2 -1,-0.2 -2,-0.4 48,-0.1 0.793 127.2 -63.0 37.4 42.6 -30.9 -7.8 -4.2 57 123 A N T 3 S+ 0 0 55 46,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.770 112.4 117.7 63.9 27.4 -27.9 -9.5 -5.7 58 124 A A B < +C 55 0A 2 -3,-1.7 -3,-2.1 206,-0.1 2,-0.3 -0.996 33.6 150.9-119.7 129.6 -29.7 -10.1 -9.1 59 125 A Y - 0 0 6 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.1 -0.983 25.7-158.5-157.2 145.9 -28.2 -8.5 -12.2 60 126 A S - 0 0 36 -2,-0.3 -7,-0.3 -7,-0.3 235,-0.0 -0.804 12.4-149.2-114.9 165.4 -27.9 -9.0 -16.0 61 127 A D + 0 0 1 -2,-0.3 2,-0.2 -9,-0.1 -1,-0.0 0.351 60.0 106.6-116.3 11.1 -25.4 -7.7 -18.5 62 128 A S - 0 0 3 368,-0.1 2,-0.3 371,-0.0 -2,-0.1 -0.584 53.5-146.5 -86.9 149.2 -27.5 -7.5 -21.7 63 129 A Q - 0 0 7 368,-0.6 371,-3.1 -2,-0.2 3,-0.1 -0.865 16.6-140.5-110.1 154.7 -28.8 -4.3 -23.3 64 130 A I S S- 0 0 7 -2,-0.3 371,-2.4 369,-0.2 2,-0.3 0.962 83.7 -21.3 -60.3 -64.4 -31.9 -3.2 -25.2 65 131 A L > - 0 0 1 3,-0.2 3,-2.6 368,-0.2 -1,-0.2 -0.962 54.0-119.2-158.4 138.6 -30.1 -0.9 -27.8 66 132 A Y T 3 S+ 0 0 10 -2,-0.3 482,-0.2 1,-0.3 150,-0.0 0.564 110.5 65.8 -51.6 -13.4 -26.8 1.0 -28.0 67 133 A H T 3 S+ 0 0 7 148,-0.1 151,-2.2 479,-0.1 2,-0.3 0.402 104.5 48.4 -90.4 1.6 -28.8 4.3 -28.3 68 134 A Q S < S- 0 0 2 -3,-2.6 -30,-0.2 149,-0.2 2,-0.2 -0.939 84.6-110.4-137.0 161.1 -30.1 3.9 -24.8 69 135 A G - 0 0 3 -32,-4.0 -29,-0.1 -2,-0.3 -30,-0.1 -0.576 40.9 -93.8 -90.8 156.8 -28.7 3.1 -21.4 70 136 A R - 0 0 24 -2,-0.2 -1,-0.1 1,-0.1 -7,-0.1 -0.395 60.2 -85.7 -60.3 145.8 -29.2 0.0 -19.4 71 137 A F - 0 0 6 170,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.242 41.5-153.7 -59.9 135.0 -32.2 0.4 -16.9 72 138 A I - 0 0 21 -3,-0.1 -53,-0.1 1,-0.1 -33,-0.1 -0.977 25.2-108.7-118.6 131.5 -31.3 2.0 -13.6 73 139 A V - 0 0 5 -2,-0.5 -54,-0.5 1,-0.1 -1,-0.1 0.105 27.9-105.0 -61.0 162.7 -33.5 1.1 -10.7 74 140 A D > - 0 0 23 1,-0.1 3,-2.4 -56,-0.1 4,-0.2 -0.821 22.4-142.5 -95.3 120.5 -36.0 3.4 -9.0 75 141 A P G > S+ 0 0 6 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.650 92.6 74.5 -57.6 -22.2 -34.7 4.6 -5.6 76 142 A A G 3 S+ 0 0 29 1,-0.3 30,-0.1 -59,-0.2 -58,-0.0 0.664 92.9 57.1 -71.2 -9.7 -38.1 4.5 -4.0 77 143 A L G < S+ 0 0 2 -3,-2.4 29,-2.2 28,-0.1 2,-0.3 0.563 94.7 87.0 -86.3 -8.1 -37.7 0.7 -3.9 78 144 A V E < - D 0 105A 0 -3,-1.6 27,-0.3 27,-0.3 3,-0.1 -0.711 50.1-167.9-108.2 143.3 -34.5 0.7 -2.0 79 145 A K E S+ 0 0 53 25,-2.9 -71,-1.2 1,-0.3 2,-0.3 0.726 86.4 3.9 -86.8 -23.3 -33.4 0.7 1.7 80 146 A V E -AD 7 104A 32 24,-1.1 24,-1.8 -73,-0.2 2,-0.4 -0.975 58.9-159.5-161.1 145.1 -29.8 1.4 0.8 81 147 A V E -AD 6 103A 1 -75,-1.5 -75,-2.1 -2,-0.3 2,-0.4 -1.000 13.0-174.0-132.4 134.1 -27.5 2.1 -2.3 82 148 A S E -AD 5 102A 37 20,-3.1 20,-2.6 -2,-0.4 2,-0.6 -0.956 19.6-149.4-121.3 139.9 -23.8 1.7 -2.5 83 149 A V E - D 0 101A 2 -79,-2.1 2,-0.9 -2,-0.4 18,-0.2 -0.949 11.5-167.5 -99.7 114.5 -21.2 2.5 -5.0 84 150 A Q E - 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