==== 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 1PNZ . COMPND 2 MOLECULE: IRON(III) DICITRATE TRANSPORT PROTEIN FECA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.W.YUE,S.GRIZOT,S.K.BUCHANAN . 661 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 71.7 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 . 330 49.9 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 . 8 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 . 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 . 49 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.0 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 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 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 . 4 2 1 5 0 2 2 4 2 1 1 4 3 2 2 0 1 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 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 81 A A 0 0 132 0, 0.0 269,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.7 45.9 0.6 49.1 2 82 A L - 0 0 53 1,-0.1 2,-0.4 269,-0.0 312,-0.1 0.819 360.0-179.2 26.5 97.7 46.9 0.2 45.5 3 83 A T - 0 0 91 268,-0.1 2,-0.3 310,-0.0 268,-0.2 -0.985 26.0-125.2-123.5 129.6 43.9 -1.3 43.7 4 84 A V - 0 0 4 266,-3.0 268,-0.1 -2,-0.4 308,-0.0 -0.554 18.2-169.0 -75.4 132.3 44.1 -2.2 40.0 5 85 A V + 0 0 44 -2,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.937 18.7 167.5 -83.2 -56.6 41.2 -0.6 38.0 6 86 A G + 0 0 2 305,-0.1 2,-0.9 2,-0.0 -1,-0.2 -0.700 60.5 39.6 83.4-105.1 41.8 -2.5 34.7 7 87 A D + 0 0 67 -2,-0.9 305,-0.0 1,-0.2 -1,-0.0 -0.710 58.7 176.4 -85.8 104.3 38.7 -1.9 32.6 8 88 A W S S+ 0 0 44 -2,-0.9 -1,-0.2 1,-0.1 5,-0.1 0.545 79.0 54.1 -83.8 -7.7 37.6 1.7 32.9 9 89 A L S > S+ 0 0 3 3,-0.1 3,-3.1 2,-0.1 4,-0.3 0.927 79.1 109.1 -84.7 -65.7 34.8 1.4 30.4 10 90 A G T 3 S- 0 0 25 1,-0.3 75,-0.1 2,-0.1 -2,-0.1 0.126 98.8 -11.7 30.1-124.8 33.0 -1.6 31.9 11 91 A D T 3 S- 0 0 113 124,-0.1 -1,-0.3 74,-0.1 -2,-0.1 0.118 99.8-103.3 -89.8 20.8 29.7 -0.7 33.4 12 92 A A < - 0 0 0 -3,-3.1 -2,-0.1 1,-0.1 -3,-0.1 0.949 44.1-152.1 58.0 53.9 30.4 3.0 33.1 13 93 A R > - 0 0 41 -4,-0.3 4,-2.1 -5,-0.1 5,-0.2 -0.317 15.7-127.7 -58.2 135.0 31.2 3.5 36.8 14 94 A E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.875 109.8 49.2 -51.3 -42.6 30.4 7.1 37.9 15 95 A N H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 106.7 53.8 -67.7 -40.2 33.9 7.4 39.4 16 96 A D H 4 S+ 0 0 40 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 110.7 48.4 -62.0 -38.7 35.6 6.1 36.3 17 97 A V H >< S+ 0 0 16 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.918 111.1 48.6 -67.5 -44.8 33.8 8.8 34.2 18 98 A F H 3< S+ 0 0 36 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.868 114.7 46.4 -64.0 -34.8 34.7 11.6 36.6 19 99 A E T 3< S+ 0 0 58 -4,-2.2 2,-0.5 -5,-0.1 -1,-0.3 0.338 85.4 125.2 -88.0 5.8 38.3 10.5 36.6 20 100 A H < - 0 0 14 -3,-1.3 2,-2.3 1,-0.1 4,-0.1 -0.552 59.2-141.9 -74.9 120.2 38.4 10.1 32.8 21 101 A A S S+ 0 0 8 -2,-0.5 2,-0.3 97,-0.1 396,-0.1 -0.369 77.2 31.1 -79.3 62.8 41.1 12.2 31.1 22 102 A G S S- 0 0 0 -2,-2.3 2,-0.1 394,-0.1 -2,-0.1 -0.872 106.4 -47.4 163.8 165.7 39.0 13.2 28.2 23 103 A A + 0 0 2 -2,-0.3 94,-2.3 454,-0.1 93,-0.4 -0.337 66.8 149.8 -58.1 125.1 35.5 14.1 27.0 24 104 A R - 0 0 0 91,-0.2 2,-0.3 92,-0.2 91,-0.2 -0.908 19.5-178.9-163.3 130.9 33.1 11.4 28.2 25 105 A D E -A 114 0A 5 89,-2.3 89,-2.9 -2,-0.3 2,-0.4 -0.972 5.7-164.9-134.8 149.6 29.4 11.3 29.1 26 106 A V E -A 113 0A 29 -2,-0.3 2,-0.5 87,-0.2 87,-0.2 -0.996 6.6-163.2-135.8 137.4 27.1 8.7 30.4 27 107 A I E -A 112 0A 23 85,-1.6 85,-2.0 -2,-0.4 2,-0.3 -0.992 20.8-148.2-119.1 125.3 23.3 8.5 30.6 28 108 A R E > -A 111 0A 76 -2,-0.5 3,-3.3 83,-0.2 4,-0.3 -0.669 26.6-106.8 -97.2 151.2 21.9 5.8 32.9 29 109 A R G >> S+ 0 0 54 81,-3.2 3,-2.2 1,-0.3 4,-0.6 0.793 114.2 70.5 -38.8 -42.9 18.7 3.8 32.5 30 110 A E G 34 S+ 0 0 157 80,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.751 103.7 42.8 -50.8 -26.2 17.2 5.8 35.4 31 111 A D G <4 S+ 0 0 49 -3,-3.3 -1,-0.3 1,-0.1 4,-0.2 0.370 87.6 89.9-105.7 5.0 17.1 8.8 33.2 32 112 A F T X4>S+ 0 0 8 -3,-2.2 5,-1.1 -4,-0.3 3,-1.1 0.961 84.8 52.8 -63.2 -51.3 15.8 7.3 29.9 33 113 A A G ><5S+ 0 0 41 -4,-0.6 3,-1.9 1,-0.2 -1,-0.2 0.676 84.5 83.5 -60.1 -26.2 12.1 7.8 30.6 34 114 A K G 3 5S+ 0 0 19 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.673 103.0 32.3 -56.8 -21.5 12.1 11.6 31.4 35 115 A T G < 5S- 0 0 19 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.239 117.5-105.9-118.1 10.7 12.0 12.5 27.7 36 116 A G T < 5 + 0 0 0 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.723 60.1 169.9 73.3 22.6 9.9 9.6 26.6 37 117 A A < + 0 0 7 -5,-1.1 -1,-0.2 1,-0.1 3,-0.1 -0.434 22.3 157.4 -72.0 137.4 12.8 7.9 25.0 38 118 A T + 0 0 18 -2,-0.2 69,-0.4 68,-0.0 68,-0.4 0.360 61.5 66.6-131.8 -10.5 12.5 4.3 23.7 39 119 A T S > S- 0 0 33 67,-0.1 4,-0.7 66,-0.1 3,-0.3 -0.797 82.2-119.3-117.1 160.4 15.3 4.4 21.2 40 120 A M H >> S+ 0 0 13 -2,-0.3 4,-2.5 1,-0.2 3,-1.2 0.917 110.9 54.9 -60.3 -49.0 19.0 4.7 21.3 41 121 A R H 3> S+ 0 0 39 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.796 100.1 61.6 -59.0 -30.3 19.2 7.9 19.2 42 122 A E H 34 S+ 0 0 26 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.783 111.5 38.1 -68.2 -27.1 16.8 9.7 21.6 43 123 A V H X< S+ 0 0 0 -3,-1.2 3,-1.6 -4,-0.7 -2,-0.2 0.858 112.9 56.4 -89.5 -40.0 19.2 9.2 24.5 44 124 A L H >< S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.855 99.5 59.9 -58.6 -38.0 22.3 9.9 22.3 45 125 A N T 3< S+ 0 0 24 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.639 94.9 65.4 -66.1 -13.9 21.0 13.3 21.2 46 126 A R T < S+ 0 0 21 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.505 88.2 83.8 -84.8 -4.1 20.9 14.3 24.9 47 127 A I S X S- 0 0 3 -3,-1.8 3,-1.5 -4,-0.2 482,-0.1 -0.879 88.7-112.6-103.9 126.9 24.7 14.1 25.0 48 128 A P T 3 S+ 0 0 4 0, 0.0 3,-0.1 0, 0.0 459,-0.1 -0.247 100.2 24.7 -58.0 138.7 26.8 17.1 23.8 49 129 A G T 3 S+ 0 0 9 1,-0.2 21,-3.0 506,-0.2 2,-0.5 0.391 101.4 109.6 87.4 -2.7 28.8 16.6 20.6 50 130 A V E < -E 69 0B 2 -3,-1.5 2,-0.5 19,-0.2 -1,-0.2 -0.917 43.8-176.3-113.4 130.5 26.4 13.9 19.5 51 131 A S E +E 68 0B 17 17,-2.4 17,-2.3 -2,-0.5 -6,-0.1 -0.973 3.3 177.3-126.1 114.4 23.9 14.2 16.6 52 132 A A - 0 0 0 -2,-0.5 15,-0.2 15,-0.3 -7,-0.1 -0.824 20.5-152.2-119.7 89.7 21.6 11.3 16.0 53 133 A P - 0 0 16 0, 0.0 13,-0.2 0, 0.0 3,-0.1 -0.116 24.8 -94.6 -60.5 154.2 19.2 12.2 13.2 54 134 A E - 0 0 21 1,-0.2 594,-0.0 592,-0.1 592,-0.0 -0.259 65.8 -64.7 -64.1 156.2 15.7 10.8 12.8 55 135 A N S S+ 0 0 30 5,-0.1 5,-0.3 9,-0.1 2,-0.3 -0.135 77.6 140.1 -46.3 133.5 15.4 7.7 10.5 56 136 A N B > +F 59 0C 19 3,-0.9 3,-0.7 5,-0.2 5,-0.2 -0.960 44.3 5.2-170.5 160.1 16.2 8.6 6.9 57 137 A G T > S- 0 0 0 585,-0.3 3,-1.4 -2,-0.3 175,-0.1 -0.231 126.6 -10.4 59.6-142.8 18.0 7.2 3.8 58 138 A T T 3 S+ 0 0 37 1,-0.3 2,-0.8 2,-0.1 -1,-0.2 0.939 144.3 50.3 -53.4 -47.2 19.3 3.6 4.0 59 139 A G B < +F 56 0C 0 -3,-0.7 2,-1.4 1,-0.1 -3,-0.9 -0.217 69.9 138.0 -87.1 45.6 18.6 3.7 7.7 60 140 A S < + 0 0 2 -3,-1.4 2,-0.3 -2,-0.8 172,-0.2 -0.313 61.8 54.4 -85.4 52.1 15.0 5.0 7.3 61 141 A H S > S- 0 0 4 -2,-1.4 3,-1.2 -5,-0.2 -5,-0.2 -0.954 93.4 -98.3-173.9 161.8 13.8 2.6 10.0 62 142 A D T 3 S+ 0 0 34 -2,-0.3 40,-0.1 1,-0.2 -3,-0.0 0.564 108.5 70.5 -68.3 -14.6 14.3 1.6 13.6 63 143 A L T 3 S+ 0 0 0 38,-0.1 39,-3.4 37,-0.1 -1,-0.2 0.716 96.2 63.9 -76.7 -18.5 16.5 -1.5 12.9 64 144 A A S < S- 0 0 9 -3,-1.2 2,-0.4 37,-0.3 36,-0.2 -0.435 77.1-135.8 -97.4 173.7 19.3 0.8 11.8 65 145 A M - 0 0 12 34,-1.8 2,-0.5 -2,-0.1 34,-0.3 -0.994 14.5-172.1-136.3 129.7 21.3 3.3 13.8 66 146 A N + 0 0 7 -2,-0.4 2,-0.3 10,-0.2 9,-0.2 -0.973 26.1 126.0-125.2 122.0 22.3 6.9 12.8 67 147 A F - 0 0 2 7,-1.8 12,-0.4 -2,-0.5 2,-0.3 -0.946 28.8-162.7-168.9 149.9 24.6 9.1 14.7 68 148 A G E -E 51 0B 3 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.4 -0.998 15.4-136.0-140.5 143.7 27.8 11.1 14.4 69 149 A I E > S-E 50 0B 1 -2,-0.3 3,-2.4 1,-0.2 -19,-0.2 -0.818 81.1 -15.7-100.2 135.5 30.2 12.6 16.8 70 150 A R T 3 S- 0 0 4 -21,-3.0 -1,-0.2 -2,-0.4 -20,-0.1 0.813 131.6 -44.4 42.4 45.0 31.5 16.2 16.4 71 151 A G T 3 S+ 0 0 11 -3,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.512 97.1 143.5 84.8 1.9 30.4 16.5 12.8 72 152 A L S < S- 0 0 6 -3,-2.4 -1,-0.3 1,-0.2 7,-0.1 -0.501 71.6 -71.6 -74.3 147.7 31.5 13.1 11.6 73 153 A N - 0 0 74 1,-0.2 6,-0.5 -2,-0.1 5,-0.3 -0.094 46.2-163.4 -41.0 119.7 29.2 11.5 9.0 74 154 A P > + 0 0 8 0, 0.0 3,-2.2 0, 0.0 -7,-1.8 0.770 49.8 117.2 -81.6 -24.9 26.1 10.4 11.0 75 155 A R G > S- 0 0 87 1,-0.3 3,-0.7 -9,-0.2 -9,-0.1 -0.226 97.7 -15.7 -51.9 112.6 24.7 8.1 8.3 76 156 A L G 3 S- 0 0 3 1,-0.2 23,-3.0 23,-0.1 -1,-0.3 0.746 103.9 -94.1 62.9 27.7 24.6 4.6 9.7 77 157 A A G < S+ 0 0 1 -3,-2.2 3,-0.5 21,-0.2 -1,-0.2 0.747 75.3 146.7 35.5 52.3 27.0 5.4 12.6 78 158 A S < + 0 0 5 -3,-0.7 -1,-0.1 -5,-0.3 20,-0.1 0.458 53.6 70.4 -93.4 -1.4 30.3 4.4 10.9 79 159 A R S S+ 0 0 15 -6,-0.5 50,-2.0 -12,-0.4 2,-0.3 0.351 92.6 55.4 -99.2 5.6 32.6 7.0 12.5 80 160 A S S S- 0 0 6 -3,-0.5 2,-1.0 48,-0.2 51,-0.2 -0.924 90.2-104.0-132.9 157.6 32.8 5.7 16.1 81 161 A T E -b 131 0A 8 49,-2.3 51,-2.8 -2,-0.3 2,-0.5 -0.752 42.2-158.1 -83.4 106.6 33.7 2.4 17.6 82 162 A V E +b 132 0A 3 -2,-1.0 7,-2.4 49,-0.2 2,-0.3 -0.805 20.4 164.1 -95.4 125.4 30.3 1.0 18.5 83 163 A L E -bC 133 88A 3 49,-3.2 51,-3.1 -2,-0.5 2,-0.4 -0.922 33.1-151.0-137.8 159.6 30.2 -1.7 21.2 84 164 A M E > S-bC 134 87A 3 3,-2.2 3,-2.3 -2,-0.3 51,-0.2 -0.985 94.0 -16.2-131.1 115.8 27.8 -3.4 23.6 85 165 A D T 3 S- 0 0 43 49,-1.2 50,-0.1 -2,-0.4 -1,-0.1 0.838 129.2 -56.6 55.3 33.2 29.5 -4.6 26.8 86 166 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.3 -76,-0.1 49,-0.1 0.212 112.8 124.9 85.6 -16.9 32.8 -4.1 24.9 87 167 A I E < S-C 84 0A 7 -3,-2.3 -3,-2.2 1,-0.1 -1,-0.3 -0.619 72.7-101.2 -81.9 129.8 31.7 -6.5 22.1 88 168 A P E -C 83 0A 7 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.204 28.9-165.5 -50.7 125.8 31.7 -5.1 18.5 89 169 A V + 0 0 1 -7,-2.4 -6,-0.1 4,-0.0 -8,-0.0 0.831 61.4 90.6 -82.9 -36.2 28.2 -4.1 17.4 90 170 A P S S- 0 0 11 0, 0.0 4,-0.1 0, 0.0 9,-0.1 -0.302 73.6-139.0 -61.4 143.1 29.0 -3.9 13.7 91 171 A F S S+ 0 0 2 1,-0.3 192,-0.1 10,-0.3 212,-0.1 0.541 107.5 22.8 -79.3 -3.6 28.5 -7.1 11.6 92 172 A A S > S+ 0 0 0 4,-0.4 4,-2.2 210,-0.1 -1,-0.3 -0.366 74.9 179.4-157.5 64.3 31.7 -6.0 9.8 93 173 A P T 4 S+ 0 0 7 0, 0.0 -2,-0.1 0, 0.0 -11,-0.1 0.782 84.2 29.2 -37.8 -44.2 33.6 -3.7 12.3 94 174 A Y T 4 S+ 0 0 2 2,-0.1 343,-0.2 -4,-0.1 32,-0.1 0.938 131.2 27.9 -88.3 -55.2 36.5 -3.3 9.8 95 175 A G T 4 S+ 0 0 0 1,-0.2 345,-1.8 344,-0.2 346,-0.4 0.813 134.8 16.6 -81.5 -32.0 35.1 -3.7 6.3 96 176 A Q < + 0 0 32 -4,-2.2 -4,-0.4 343,-0.2 -5,-0.3 -0.584 62.3 162.4-142.4 73.6 31.5 -2.5 6.6 97 177 A P + 0 0 3 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 0.533 37.3 120.9 -72.2 -6.1 31.0 -0.6 9.8 98 178 A Q - 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