==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 13-JUN-03 1PO3 . COMPND 2 MOLECULE: IRON(III) DICITRATE TRANSPORT PROTEIN FECA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.W.YUE,S.GRIZOT,S.K.BUCHANAN . 1292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 941 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 648 50.2 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 0.1 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 . 124 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 5 5 5 2 8 2 8 1 3 3 10 4 3 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 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 2 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 95 A N 0 0 187 0, 0.0 2,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 8.1 3.4 17.2 55.4 2 96 A D > - 0 0 136 1,-0.0 3,-1.5 4,-0.0 4,-0.1 -0.924 360.0-101.3-114.9 128.7 1.5 13.9 55.7 3 97 A V G > S+ 0 0 39 -2,-0.5 3,-4.6 1,-0.3 5,-0.2 0.279 102.5 76.6 -8.1 -52.6 -0.9 12.5 53.1 4 98 A F G 3 S+ 0 0 52 1,-0.3 -1,-0.3 3,-0.1 408,-0.1 0.830 103.7 48.2 -45.7 -29.9 -4.5 13.2 54.4 5 99 A E G < S+ 0 0 87 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.183 85.9 125.3 -94.9 17.6 -3.8 16.7 53.2 6 100 A H < - 0 0 29 -3,-4.6 2,-1.9 2,-0.1 4,-0.1 -0.639 58.0-144.1 -81.6 129.6 -2.5 15.6 49.8 7 101 A A S S+ 0 0 14 -2,-0.4 2,-0.3 97,-0.2 396,-0.2 -0.458 76.6 31.6 -86.0 61.9 -4.2 17.2 46.8 8 102 A G S S- 0 0 0 -2,-1.9 2,-0.8 -5,-0.2 96,-0.2 -0.999 104.0 -43.4 175.1-174.2 -3.8 14.0 44.9 9 103 A A S S+ 0 0 3 -2,-0.3 94,-1.9 94,-0.2 93,-1.5 -0.721 70.4 154.2 -81.2 113.8 -3.6 10.3 44.5 10 104 A R E +A 101 0A 40 -2,-0.8 2,-0.3 91,-0.2 91,-0.2 -0.996 22.9 167.7-151.1 145.1 -1.4 9.2 47.4 11 105 A D E -A 100 0A 14 89,-1.9 89,-2.1 -2,-0.3 2,-0.4 -0.989 5.7-176.3-151.7 141.1 -0.6 6.3 49.7 12 106 A V E -A 99 0A 49 -2,-0.3 2,-0.4 87,-0.2 87,-0.2 -0.958 9.1-158.4-146.1 123.8 2.1 5.5 52.1 13 107 A I E -A 98 0A 24 85,-1.7 85,-2.6 -2,-0.4 2,-0.3 -0.783 13.4-142.5-101.6 144.0 2.7 2.4 54.1 14 108 A R E > -A 97 0A 118 -2,-0.4 3,-1.6 83,-0.2 83,-0.3 -0.700 25.2-107.8-106.2 158.0 4.7 2.3 57.2 15 109 A R G >> S+ 0 0 55 81,-3.3 3,-3.2 1,-0.3 2,-0.7 0.926 112.8 68.0 -46.8 -56.2 7.1 -0.4 58.5 16 110 A E G 34 S+ 0 0 135 1,-0.3 -1,-0.3 80,-0.3 81,-0.1 0.406 104.7 48.2 -52.7 13.5 4.8 -1.5 61.3 17 111 A D G <4 S+ 0 0 58 -3,-1.6 -1,-0.3 -2,-0.7 4,-0.3 0.232 84.9 83.9-136.4 9.4 2.5 -2.8 58.5 18 112 A F T X4>S+ 0 0 11 -3,-3.2 3,-1.4 1,-0.2 5,-1.0 0.946 87.8 56.0 -77.3 -50.3 4.8 -4.7 56.2 19 113 A A G ><5S+ 0 0 39 -4,-0.6 3,-3.0 1,-0.3 -1,-0.2 0.755 82.7 89.8 -50.3 -32.4 4.5 -7.9 58.3 20 114 A K G 3 5S+ 0 0 23 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.805 100.1 27.8 -34.3 -49.1 0.7 -7.9 58.0 21 115 A T G < 5S- 0 0 20 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.121 115.7-100.2-107.2 21.8 0.9 -10.0 54.7 22 116 A G T < 5 + 0 0 0 -3,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.698 67.1 171.1 68.6 14.8 4.1 -11.9 55.2 23 117 A A < + 0 0 6 -5,-1.0 -1,-0.2 1,-0.1 3,-0.1 -0.271 19.0 159.8 -59.6 142.4 5.5 -9.3 52.9 24 118 A T + 0 0 25 1,-0.3 2,-0.3 -3,-0.1 69,-0.3 0.320 55.4 54.8-146.7 2.6 9.3 -9.4 52.6 25 119 A T S > S- 0 0 37 1,-0.1 4,-1.2 67,-0.1 3,-0.4 -1.000 83.7-110.9-145.6 144.1 10.0 -7.6 49.4 26 120 A M H >> S+ 0 0 17 -2,-0.3 4,-2.1 1,-0.2 3,-1.3 0.861 116.3 58.0 -33.3 -59.9 9.3 -4.2 47.9 27 121 A R H >> S+ 0 0 35 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.910 103.6 51.2 -37.9 -65.9 7.0 -5.8 45.4 28 122 A E H 34 S+ 0 0 22 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.750 111.2 46.8 -49.4 -31.7 4.8 -7.4 48.0 29 123 A V H X< S+ 0 0 0 -3,-1.3 3,-0.7 -4,-1.2 4,-0.3 0.865 113.6 47.2 -82.5 -33.4 4.2 -4.2 50.0 30 124 A L H X< S+ 0 0 1 -4,-2.1 3,-1.4 -3,-0.6 -2,-0.2 0.794 97.5 70.3 -75.7 -30.3 3.4 -2.0 47.0 31 125 A N T 3< S+ 0 0 24 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 0.611 91.5 59.3 -66.7 -8.2 1.0 -4.5 45.4 32 126 A R T < S+ 0 0 41 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.718 86.8 99.9 -85.8 -23.3 -1.5 -3.8 48.2 33 127 A I S X S- 0 0 6 -3,-1.4 3,-1.1 -4,-0.3 2,-0.2 -0.372 85.8-106.9 -64.5 136.4 -1.4 -0.2 47.0 34 128 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.415 97.1 8.9 -69.0 134.8 -4.4 0.7 44.8 35 129 A G T 3 S+ 0 0 10 506,-0.5 21,-3.0 1,-0.3 2,-0.4 0.434 102.7 117.8 77.9 -1.9 -3.9 1.2 41.1 36 130 A V E < -E 55 0B 1 -3,-1.1 2,-0.5 19,-0.3 -1,-0.3 -0.834 47.4-165.0-100.5 131.8 -0.4 -0.1 41.5 37 131 A S E +E 54 0B 19 17,-4.1 17,-1.0 -2,-0.4 -6,-0.1 -0.968 11.2 173.6-121.5 118.9 0.6 -3.3 39.7 38 132 A A - 0 0 0 -2,-0.5 -7,-0.1 15,-0.2 15,-0.1 -0.694 19.4-153.4-128.6 83.6 3.8 -5.1 40.8 39 133 A P - 0 0 29 0, 0.0 13,-0.2 0, 0.0 3,-0.1 -0.029 24.4-101.9 -53.1 148.1 4.3 -8.5 39.0 40 134 A E - 0 0 14 1,-0.2 592,-0.0 592,-0.1 594,-0.0 -0.320 68.0 -58.5 -68.1 156.3 6.2 -11.4 40.5 41 135 A N S S+ 0 0 25 5,-0.1 5,-0.3 9,-0.1 2,-0.3 -0.007 77.8 148.0 -39.3 133.9 9.7 -11.9 39.1 42 136 A N B > -F 45 0C 19 3,-1.7 3,-0.6 -3,-0.1 2,-0.1 -0.872 43.3 -5.1-171.6 138.6 9.6 -12.4 35.4 43 137 A G T > S- 0 0 0 585,-0.3 3,-1.2 -2,-0.3 175,-0.1 -0.455 123.6 -13.4 78.0-150.5 11.7 -11.7 32.3 44 138 A T T 3 S+ 0 0 18 1,-0.3 2,-1.6 -2,-0.1 -1,-0.2 0.949 142.8 54.8 -53.7 -44.0 14.9 -9.7 32.5 45 139 A G B < S+F 42 0C 0 -3,-0.6 -3,-1.7 1,-0.1 2,-1.1 -0.221 73.0 136.9 -82.3 50.5 13.6 -8.7 35.8 46 140 A S < + 0 0 1 -2,-1.6 2,-0.3 -3,-1.2 -1,-0.1 -0.436 56.0 49.7 -96.4 65.0 13.3 -12.3 36.9 47 141 A H S S- 0 0 3 -2,-1.1 3,-0.5 -5,-0.1 -5,-0.1 -0.973 92.2 -93.3-178.2 170.3 14.8 -12.0 40.4 48 142 A D S S+ 0 0 40 -2,-0.3 -3,-0.0 1,-0.2 -2,-0.0 0.323 111.0 73.5 -83.4 11.3 14.7 -10.2 43.7 49 143 A L S S+ 0 0 1 37,-0.1 39,-2.1 38,-0.1 -1,-0.2 0.842 94.4 55.7 -87.9 -37.8 17.5 -7.9 42.5 50 144 A A S S- 0 0 9 -3,-0.5 2,-0.4 37,-0.2 36,-0.2 -0.448 77.1-138.3 -89.9 167.1 15.2 -6.0 40.1 51 145 A M - 0 0 11 34,-1.2 2,-0.5 -2,-0.1 34,-0.3 -0.988 9.8-163.1-128.2 135.5 12.0 -4.3 40.9 52 146 A N + 0 0 4 -2,-0.4 2,-0.3 -13,-0.2 9,-0.2 -0.988 27.4 143.0-121.7 123.1 8.9 -4.4 38.8 53 147 A F + 0 0 2 7,-0.7 12,-0.4 -2,-0.5 2,-0.3 -0.984 11.1 156.0-160.2 147.7 6.2 -1.7 39.4 54 148 A G E -E 37 0B 0 -17,-1.0 -17,-4.1 -2,-0.3 2,-0.3 -0.936 22.3-142.5-170.5 146.5 3.7 0.4 37.6 55 149 A I E > S+E 36 0B 0 -2,-0.3 3,-2.0 -19,-0.3 -19,-0.3 -0.829 75.1 15.5-116.7 156.8 0.5 2.2 38.2 56 150 A R T 3 S- 0 0 2 -21,-3.0 -1,-0.2 -2,-0.3 -20,-0.1 0.863 130.1 -55.2 54.7 44.0 -2.6 2.7 36.1 57 151 A G T 3 S+ 0 0 8 -22,-0.3 -1,-0.3 -3,-0.2 -21,-0.1 0.496 94.3 150.1 72.2 0.5 -1.8 0.0 33.6 58 152 A L < - 0 0 1 -3,-2.0 -1,-0.2 1,-0.2 -21,-0.1 -0.360 65.4 -86.0 -63.8 146.3 1.5 1.6 32.8 59 153 A N - 0 0 22 1,-0.2 6,-0.5 -3,-0.1 5,-0.2 -0.381 42.5-165.3 -58.3 117.7 4.0 -1.1 31.8 60 154 A P > + 0 0 7 0, 0.0 3,-1.3 0, 0.0 -7,-0.7 0.328 42.5 128.9 -88.4 8.1 5.5 -2.4 35.0 61 155 A R G > S- 0 0 38 1,-0.3 3,-1.0 -9,-0.2 -9,-0.1 -0.527 95.0 -18.0 -67.7 114.6 8.4 -4.1 33.5 62 156 A L G 3 S- 0 0 4 -2,-0.6 23,-2.5 1,-0.2 -1,-0.3 0.797 102.2 -94.3 60.4 31.8 11.4 -2.8 35.5 63 157 A A G X S+ 0 0 2 -3,-1.3 3,-1.3 21,-0.2 -1,-0.2 0.708 75.2 149.2 41.3 34.8 9.5 0.2 36.8 64 158 A S T < + 0 0 12 -3,-1.0 -1,-0.2 1,-0.2 51,-0.1 0.735 60.8 66.9 -82.3 -5.7 10.7 2.5 34.0 65 159 A R T 3 S+ 0 0 8 -6,-0.5 50,-1.6 -12,-0.4 -1,-0.2 0.443 98.4 62.3 -88.4 7.7 7.5 4.6 34.0 66 160 A S S < S- 0 0 8 -3,-1.3 2,-0.5 48,-0.2 51,-0.2 -0.572 77.7-120.8-121.6-178.8 8.2 6.0 37.5 67 161 A T E -b 117 0A 18 49,-2.0 51,-1.7 46,-0.2 2,-0.4 -0.888 35.2-173.7-125.0 92.8 10.5 8.1 39.6 68 162 A V E +b 118 0A 4 -2,-0.5 7,-1.6 49,-0.2 2,-0.3 -0.799 7.7 175.4 -95.0 132.6 11.7 5.8 42.4 69 163 A L E -bC 119 74A 9 49,-3.0 51,-3.5 -2,-0.4 2,-0.5 -0.990 27.2-149.7-139.5 146.4 13.8 7.4 45.1 70 164 A M E > S-bC 120 73A 4 3,-2.7 3,-2.9 -2,-0.3 51,-0.2 -0.982 91.6 -19.4-114.2 123.1 15.3 6.3 48.4 71 165 A D T 3 S- 0 0 45 49,-2.8 -1,-0.2 -2,-0.5 50,-0.1 0.865 127.5 -56.4 45.4 41.6 15.6 9.3 50.8 72 166 A G T 3 S+ 0 0 9 1,-0.3 -1,-0.3 48,-0.2 49,-0.1 0.274 113.7 120.0 78.7 -17.2 15.3 11.5 47.8 73 167 A I E < S-C 70 0A 1 -3,-2.9 -3,-2.7 1,-0.1 2,-0.4 -0.619 73.2-110.1 -80.8 143.9 18.2 10.0 46.1 74 168 A P E -C 69 0A 5 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.600 21.5-155.6 -76.0 126.5 17.4 8.4 42.7 75 169 A V + 0 0 4 -7,-1.6 -6,-0.1 -2,-0.4 -8,-0.0 0.942 64.6 89.3 -66.7 -48.3 17.6 4.6 42.8 76 170 A P S S- 0 0 11 0, 0.0 9,-0.1 0, 0.0 8,-0.1 0.028 79.1-127.6 -48.6 156.3 18.2 4.0 39.1 77 171 A F S S+ 0 0 1 5,-0.4 192,-0.1 1,-0.3 212,-0.1 0.060 107.3 15.6 -94.3 23.2 21.7 3.9 37.6 78 172 A A > - 0 0 0 5,-0.1 4,-1.5 210,-0.1 -1,-0.3 -0.285 67.6-171.2-179.3 74.2 20.6 6.5 35.0 79 173 A P T 4 S+ 0 0 21 0, 0.0 33,-0.2 0, 0.0 -2,-0.1 0.845 92.5 31.0 -65.9 -2.2 17.3 8.2 36.0 80 174 A Y T 4 S+ 0 0 3 2,-0.1 -2,-0.1 342,-0.1 299,-0.1 0.870 126.5 33.2-101.9 -65.8 17.4 9.7 32.5 81 175 A G T 4 S+ 0 0 0 1,-0.2 345,-1.9 344,-0.1 346,-0.6 0.540 133.6 14.9 -72.4 -12.8 19.1 7.4 30.1 82 176 A Q < + 0 0 19 -4,-1.5 -5,-0.4 343,-0.2 -1,-0.2 -0.224 58.8 168.1-159.7 59.0 18.1 4.0 31.5 83 177 A P + 0 0 8 0, 0.0 -5,-0.1 0, 0.0 -2,-0.1 0.798 44.3 116.8 -46.4 -33.2 15.2 4.2 34.0 84 178 A Q - 0 0 21 1,-0.2 2,-2.1 -20,-0.1 3,-0.4 -0.078 64.0-141.4 -45.5 116.7 14.8 0.4 33.9 85 179 A L + 0 0 0 -23,-2.5 -34,-1.2 -34,-0.3 -1,-0.2 -0.382 45.5 148.1 -82.4 66.8 15.5 -1.1 37.2 86 180 A S S S+ 0 0 7 -2,-2.1 2,-0.4 1,-0.2 -1,-0.2 0.962 84.9 32.2 -58.0 -46.3 17.4 -4.3 36.0 87 181 A L S S- 0 0 0 -3,-0.4 -37,-0.2 -37,-0.1 -1,-0.2 -0.922 74.8-170.0-109.2 131.7 19.2 -3.7 39.3 88 182 A A - 0 0 4 -39,-2.1 2,-2.1 -2,-0.4 -3,-0.1 -0.718 8.5-159.5-125.8 84.5 17.3 -2.2 42.3 89 183 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -40,-0.1 -0.359 57.5 95.6 -62.1 82.4 19.8 -1.3 45.0 90 184 A V - 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