==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 17-DEC-01 1KMP . COMPND 2 MOLECULE: IRON(III) DICITRATE TRANSPORT PROTEIN FECA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR A.D.FERGUSON,R.CHAKRABORTY,B.S.SMITH,L.ESSER,D.VAN DER HELM, . 647 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 331 51.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 64 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 1 0 1 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 1 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 . 6 2 2 4 1 1 2 6 2 1 1 5 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 1 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 0 149 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 8.0 33.0 7.8 39.2 2 96 A D T 4 + 0 0 122 1,-0.2 3,-0.3 2,-0.2 0, 0.0 0.896 360.0 52.6 -52.3 -41.8 35.3 6.4 36.5 3 97 A V T >4 S+ 0 0 37 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.912 105.0 53.3 -61.9 -42.0 33.9 9.0 34.1 4 98 A F T 34 S+ 0 0 42 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.803 113.6 45.3 -62.0 -26.7 34.7 11.8 36.7 5 99 A E T 3< S+ 0 0 72 -4,-1.6 2,-0.6 -3,-0.3 -1,-0.3 0.186 88.3 122.8 -99.1 13.7 38.2 10.3 36.6 6 100 A H < - 0 0 31 -3,-2.1 2,-2.8 -5,-0.2 4,-0.1 -0.705 61.1-140.9 -87.2 119.6 38.3 10.1 32.8 7 101 A A S S+ 0 0 12 -2,-0.6 2,-0.3 97,-0.2 396,-0.1 -0.304 79.3 25.8 -73.1 58.3 41.2 11.9 31.1 8 102 A G S S- 0 0 0 -2,-2.8 2,-0.2 -5,-0.2 96,-0.1 -0.901 105.1 -45.3 163.7 169.7 38.9 13.1 28.2 9 103 A A + 0 0 3 -2,-0.3 94,-2.0 454,-0.1 93,-0.7 -0.397 67.7 146.7 -60.7 125.2 35.4 13.9 27.0 10 104 A R E -A 101 0A 41 91,-0.2 2,-0.3 -2,-0.2 91,-0.2 -0.966 24.4-174.9-164.0 143.5 33.0 11.2 28.2 11 105 A D E -A 100 0A 16 89,-2.6 89,-2.6 -2,-0.3 2,-0.4 -0.970 5.1-165.8-148.3 130.1 29.3 10.8 29.3 12 106 A V E -A 99 0A 52 -2,-0.3 2,-0.6 87,-0.2 87,-0.2 -0.959 4.1-163.0-118.1 130.7 27.3 7.9 30.6 13 107 A I E -A 98 0A 30 85,-2.0 85,-1.8 -2,-0.4 2,-0.2 -0.961 17.4-146.6-112.8 115.0 23.5 8.0 30.8 14 108 A R E > -A 97 0A 115 -2,-0.6 3,-3.1 83,-0.2 4,-0.3 -0.512 26.0-104.6 -85.9 152.8 22.1 5.3 33.1 15 109 A R G >> S+ 0 0 57 81,-2.9 3,-1.7 1,-0.3 4,-0.6 0.751 115.6 66.4 -41.3 -39.8 18.7 3.4 32.6 16 110 A E G 34 S+ 0 0 163 80,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.602 102.4 50.9 -64.2 -8.8 16.9 5.4 35.3 17 111 A D G <4 S+ 0 0 68 -3,-3.1 4,-0.3 2,-0.1 -1,-0.3 0.456 87.2 81.4-107.3 -3.1 17.4 8.5 33.1 18 112 A F T X4>S+ 0 0 9 -3,-1.7 3,-1.7 -4,-0.3 5,-0.9 0.999 88.6 51.9 -63.1 -65.4 16.0 7.1 29.8 19 113 A A G ><5S+ 0 0 37 -4,-0.6 3,-2.6 1,-0.3 -1,-0.2 0.677 82.6 92.0 -42.5 -31.7 12.3 7.6 30.5 20 114 A K G 3 5S+ 0 0 34 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.793 102.9 25.7 -37.4 -39.1 12.7 11.3 31.5 21 115 A T G < 5S- 0 0 9 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.326 116.8-104.1-110.8 5.9 12.0 12.2 27.8 22 116 A G T < 5 + 0 0 0 -3,-2.6 2,-0.5 -4,-0.3 -3,-0.2 0.817 57.6 177.8 74.2 28.3 9.9 9.2 26.9 23 117 A A < + 0 0 8 -5,-0.9 -1,-0.2 1,-0.2 -2,-0.1 -0.557 17.3 169.4 -71.6 120.5 13.0 7.9 25.0 24 118 A T + 0 0 22 -2,-0.5 69,-0.3 -3,-0.1 2,-0.3 0.476 60.6 50.4-108.1 -9.2 12.1 4.5 23.5 25 119 A T S S- 0 0 37 67,-0.1 4,-0.5 1,-0.1 66,-0.1 -0.792 83.1-113.3-128.4 169.6 15.2 4.2 21.2 26 120 A X S >> S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.2 3,-1.7 0.933 115.2 57.6 -65.0 -49.0 19.0 4.6 21.4 27 121 A R H 3> S+ 0 0 34 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 100.9 55.9 -47.4 -51.1 18.9 7.6 19.2 28 122 A E H 34 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.660 112.8 42.3 -61.2 -17.9 16.6 9.5 21.6 29 123 A V H X4 S+ 0 0 5 -3,-1.7 3,-0.7 -4,-0.5 -1,-0.2 0.823 113.2 49.4 -96.4 -38.9 19.1 9.0 24.4 30 124 A L H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.838 100.2 67.5 -66.8 -34.9 22.3 9.8 22.5 31 125 A N T 3< S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 5,-0.2 0.799 92.0 61.3 -56.2 -30.6 20.8 13.0 21.1 32 126 A R T < S+ 0 0 51 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.367 85.5 96.6 -80.4 5.0 20.8 14.5 24.7 33 127 A I S X S- 0 0 4 -3,-2.1 3,-2.2 3,-0.1 482,-0.1 -0.832 84.8-110.9 -99.5 130.1 24.6 14.2 24.8 34 128 A P T 3 S+ 0 0 5 0, 0.0 483,-0.1 0, 0.0 3,-0.1 -0.295 103.1 16.1 -56.7 138.6 26.7 17.2 24.0 35 129 A G T 3 S+ 0 0 11 1,-0.2 21,-2.5 506,-0.2 2,-0.5 0.401 101.2 113.8 79.6 -4.0 28.6 16.8 20.7 36 130 A V E < -E 55 0B 1 -3,-2.2 2,-0.5 19,-0.2 19,-0.2 -0.875 44.5-170.7-104.6 132.7 26.4 13.8 19.7 37 131 A S E +E 54 0B 21 17,-2.8 17,-2.4 -2,-0.5 -6,-0.1 -0.960 10.1 171.1-123.8 113.0 24.2 14.1 16.7 38 132 A A - 0 0 0 -2,-0.5 15,-0.2 15,-0.2 -7,-0.1 -0.741 21.6-158.1-123.3 82.3 21.7 11.2 16.2 39 133 A P - 0 0 32 0, 0.0 13,-0.3 0, 0.0 3,-0.1 -0.074 26.2 -88.3 -59.8 155.8 19.3 12.3 13.3 40 134 A E - 0 0 22 1,-0.2 592,-0.0 592,-0.1 594,-0.0 -0.238 64.7 -69.1 -63.7 152.2 15.9 10.9 12.7 41 135 A N S S+ 0 0 30 5,-0.1 5,-0.3 9,-0.1 2,-0.3 -0.142 77.2 140.3 -45.6 126.3 15.5 7.8 10.5 42 136 A N B > +F 45 0C 21 3,-0.6 3,-1.1 5,-0.1 5,-0.2 -0.966 42.9 9.4-162.1 166.3 16.3 8.8 7.0 43 137 A G T > S- 0 0 0 585,-0.4 3,-1.7 -2,-0.3 175,-0.1 -0.109 127.9 -12.7 54.4-152.0 18.1 7.4 3.9 44 138 A T T 3 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.1 6,-0.1 0.812 143.8 53.5 -48.0 -32.7 19.3 3.8 3.9 45 139 A G B < +F 42 0C 1 -3,-1.1 2,-1.7 1,-0.1 -3,-0.6 -0.190 67.5 136.6 -98.3 41.5 18.5 3.9 7.6 46 140 A S < + 0 0 2 -3,-1.7 2,-0.3 -5,-0.3 172,-0.2 -0.327 62.4 54.0 -83.3 55.2 14.9 5.2 7.3 47 141 A H S S- 0 0 5 -2,-1.7 3,-0.3 -5,-0.2 -5,-0.1 -0.962 94.5 -94.4-171.3 172.9 13.7 2.7 9.9 48 142 A D S S+ 0 0 35 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.352 107.4 70.0 -86.1 4.3 14.3 1.5 13.5 49 143 A L S S+ 0 0 1 37,-0.1 39,-2.6 38,-0.1 41,-0.3 0.840 94.6 62.5 -86.6 -33.5 16.6 -1.4 12.8 50 144 A A S S- 0 0 11 -3,-0.3 2,-0.4 37,-0.3 36,-0.2 -0.238 76.0-134.8 -84.7 173.4 19.5 0.9 11.8 51 145 A X - 0 0 9 34,-1.6 2,-0.5 -25,-0.1 34,-0.4 -0.987 12.9-169.5-136.4 126.1 21.4 3.5 13.8 52 146 A N + 0 0 5 -2,-0.4 2,-0.3 -13,-0.3 9,-0.2 -0.960 30.9 127.0-115.9 121.4 22.3 7.0 12.7 53 147 A F + 0 0 0 7,-2.3 12,-0.4 -2,-0.5 2,-0.3 -0.883 21.2 171.9-172.6 139.6 24.7 8.9 14.8 54 148 A G E -E 37 0B 1 -17,-2.4 -17,-2.8 -2,-0.3 2,-0.3 -0.977 22.3-132.6-146.9 154.3 28.0 10.8 14.6 55 149 A I E > S+E 36 0B 0 -2,-0.3 3,-2.4 -19,-0.2 -19,-0.2 -0.812 77.5 3.1-113.5 155.6 29.9 13.0 17.0 56 150 A R T 3 S- 0 0 4 -21,-2.5 -1,-0.2 -2,-0.3 -20,-0.1 0.792 134.1 -48.5 45.6 37.2 31.5 16.4 16.6 57 151 A G T 3 S+ 0 0 9 -22,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.546 94.2 148.2 86.8 6.4 30.2 16.7 13.0 58 152 A L < - 0 0 2 -3,-2.4 -1,-0.3 1,-0.2 -21,-0.1 -0.540 69.4 -79.2 -76.3 143.0 31.3 13.3 11.7 59 153 A N - 0 0 20 -2,-0.2 6,-0.3 1,-0.2 5,-0.3 -0.149 45.8-160.8 -39.4 112.2 29.0 11.9 9.1 60 154 A P > + 0 0 7 0, 0.0 -7,-2.3 0, 0.0 3,-1.7 0.614 48.6 122.7 -79.4 -9.8 26.2 10.6 11.3 61 155 A R G > S- 0 0 34 1,-0.3 3,-1.4 -9,-0.2 -9,-0.1 -0.282 92.2 -15.4 -57.9 128.7 24.8 8.2 8.6 62 156 A L G 3 S- 0 0 3 1,-0.3 23,-1.8 23,-0.1 -1,-0.3 0.755 103.7 -94.0 44.9 35.0 24.7 4.6 9.8 63 157 A A G X S+ 0 0 0 -3,-1.7 3,-0.7 21,-0.2 -1,-0.3 0.730 76.7 152.1 30.3 48.4 27.1 5.5 12.8 64 158 A S T < + 0 0 5 -3,-1.4 -1,-0.2 -5,-0.3 20,-0.1 0.405 55.8 58.5 -87.2 -0.3 30.1 4.5 10.7 65 159 A R T 3 S+ 0 0 4 -12,-0.4 50,-2.1 -6,-0.3 2,-0.3 0.342 95.0 75.9-109.7 4.9 32.9 6.6 12.1 66 160 A S S < S- 0 0 3 -3,-0.7 2,-1.2 -13,-0.2 47,-0.2 -0.845 79.5-121.6-118.7 153.9 32.6 5.4 15.7 67 161 A T E -b 117 0A 9 49,-1.0 51,-1.3 -2,-0.3 2,-0.5 -0.791 40.8-174.8 -90.9 95.9 33.7 2.2 17.6 68 162 A V E +b 118 0A 2 -2,-1.2 7,-2.1 49,-0.2 2,-0.2 -0.866 8.4 165.6-103.0 128.2 30.3 1.1 18.8 69 163 A L E -bC 119 74A 7 49,-3.0 51,-2.0 -2,-0.5 2,-0.3 -0.710 33.1-138.6-129.0 176.7 30.2 -2.0 21.1 70 164 A X E > S-bC 120 73A 4 3,-1.9 3,-1.9 49,-0.2 51,-0.2 -0.896 91.9 -21.4-142.9 107.3 27.9 -3.8 23.5 71 165 A D T 3 S- 0 0 53 49,-1.5 50,-0.1 -2,-0.3 48,-0.1 0.789 131.2 -50.0 61.4 26.4 29.5 -5.1 26.7 72 166 A G T 3 S+ 0 0 15 1,-0.3 -1,-0.3 48,-0.1 49,-0.1 0.372 113.6 123.0 93.8 -5.8 32.8 -4.8 24.8 73 167 A I E < S-C 70 0A 1 -3,-1.9 -3,-1.9 1,-0.0 -1,-0.3 -0.788 70.6-111.2 -94.3 132.0 31.5 -6.7 21.7 74 168 A P E -C 69 0A 6 0, 0.0 -5,-0.2 0, 0.0 -1,-0.0 -0.423 24.8-161.6 -60.6 123.9 31.6 -5.0 18.3 75 169 A V + 0 0 3 -7,-2.1 -6,-0.1 -2,-0.2 -8,-0.0 0.873 60.1 96.7 -76.4 -40.2 28.1 -4.3 17.2 76 170 A P S S- 0 0 8 0, 0.0 9,-0.1 0, 0.0 8,-0.1 -0.154 77.2-133.0 -51.1 139.2 28.8 -3.8 13.5 77 171 A F S S+ 0 0 3 7,-0.3 192,-0.2 10,-0.3 190,-0.1 0.553 108.5 22.5 -71.8 -0.5 28.2 -6.9 11.4 78 172 A A S > S- 0 0 0 4,-0.3 4,-1.8 6,-0.1 -1,-0.3 -0.449 72.6-171.3-163.7 79.9 31.6 -6.0 9.9 79 173 A P T 4 S+ 0 0 7 0, 0.0 33,-0.3 0, 0.0 -2,-0.1 0.704 87.9 21.8 -46.9 -31.6 33.7 -3.8 12.3 80 174 A Y T 4 S+ 0 0 0 2,-0.1 343,-0.1 31,-0.1 -2,-0.1 0.844 127.3 39.6-104.7 -59.3 36.4 -3.1 9.7 81 175 A G T 4 S+ 0 0 0 1,-0.2 345,-2.1 344,-0.2 346,-0.5 0.752 133.2 8.7 -66.3 -32.3 35.0 -3.7 6.2 82 176 A Q < + 0 0 21 -4,-1.8 -4,-0.3 343,-0.2 -1,-0.2 -0.551 59.6 171.0-154.1 82.8 31.5 -2.2 6.6 83 177 A P + 0 0 3 0, 0.0 -17,-0.1 0, 0.0 -18,-0.1 0.652 42.6 123.1 -65.3 -20.2 31.0 -0.3 9.9 84 178 A Q - 0 0 28 1,-0.1 2,-0.7 -20,-0.1 3,-0.4 -0.168 58.3-145.4 -48.5 130.3 27.6 1.0 8.6 85 179 A L + 0 0 0 -23,-1.8 -34,-1.6 -34,-0.4 -23,-0.1 -0.361 46.9 144.0 -97.5 53.9 24.7 0.1 10.9 86 180 A S S S+ 0 0 4 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.851 88.5 33.9 -55.3 -28.5 22.1 -0.4 8.2 87 181 A L S S- 0 0 0 -3,-0.4 -10,-0.3 -37,-0.1 -37,-0.3 -0.998 76.0-173.4-127.2 125.9 21.3 -3.1 10.9 88 182 A A - 0 0 5 -39,-2.6 2,-2.3 -2,-0.4 -3,-0.1 -0.866 10.1-161.0-124.6 95.3 21.9 -2.4 14.6 89 183 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.117 59.8 99.4 -68.1 42.0 21.4 -5.5 16.7 90 184 A V - 0 0 13 -2,-2.3 2,-0.4 -41,-0.3 -64,-0.1 -0.921 51.8-162.6-130.8 155.1 21.0 -3.5 19.9 91 185 A S > - 0 0 13 -2,-0.3 3,-1.6 1,-0.1 4,-0.1 -0.995 23.6-140.6-143.6 137.4 18.1 -2.2 22.0 92 186 A L G > S+ 0 0 8 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.866 99.4 68.8 -58.4 -39.7 17.7 0.5 24.6 93 187 A G G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -69,-0.3 77,-0.2 0.446 100.6 47.2 -62.6 -0.5 15.3 -1.8 26.6 94 188 A N G < S+ 0 0 0 -3,-1.6 29,-2.3 75,-0.1 2,-0.3 0.283 93.5 96.3-122.3 7.6 18.1 -4.2 27.5 95 189 A X E < - 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