==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, METAL TRANSPORT 14-JUN-05 1ZZV . COMPND 2 MOLECULE: IRON(III) DICITRATE TRANSPORT PROTEIN FECA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.D.FERGUSON,C.A.AMEZCUA,Y.CHELLIAH,M.K.ROSEN,J.DEISENHOFER . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 10 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 0 0 0 1 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A A 0 0 70 0, 0.0 2,-0.3 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 -31.4 -8.0 -18.0 -6.4 2 2 A Q - 0 0 143 41,-0.2 2,-0.4 42,-0.1 41,-0.2 -0.987 360.0-178.3-146.4 135.7 -7.7 -17.3 -2.7 3 3 A V E -A 42 0A 10 39,-1.8 39,-0.9 -2,-0.3 2,-0.5 -0.996 13.8-164.8-139.9 141.2 -6.4 -14.2 -0.9 4 4 A N E +A 41 0A 107 -2,-0.4 2,-0.3 37,-0.2 37,-0.2 -0.953 26.1 152.4-129.4 110.5 -5.8 -13.2 2.7 5 5 A I E +A 40 0A 22 35,-2.3 35,-1.0 -2,-0.5 -2,-0.1 -0.958 11.2 171.2-137.3 156.8 -5.2 -9.5 3.3 6 6 A A - 0 0 67 -2,-0.3 33,-0.3 33,-0.3 3,-0.3 -0.962 45.8 -43.3-161.7 163.4 -5.8 -7.2 6.3 7 7 A P S S+ 0 0 94 0, 0.0 31,-0.2 0, 0.0 -1,-0.1 0.074 82.9 98.5 -38.4 135.6 -5.1 -3.6 7.6 8 8 A G S S- 0 0 27 29,-0.4 2,-0.2 -3,-0.0 3,-0.1 -0.188 85.6 -57.1-178.0 -75.7 -1.5 -2.4 7.1 9 9 A S > - 0 0 16 -3,-0.3 4,-1.9 28,-0.2 27,-0.3 -0.782 42.3-106.9 174.0 148.2 -1.0 -0.2 4.1 10 10 A L H > S+ 0 0 0 25,-2.6 4,-2.6 22,-0.2 5,-0.3 0.897 117.8 56.8 -56.1 -42.6 -1.6 -0.5 0.3 11 11 A D H > S+ 0 0 51 21,-0.9 4,-2.2 24,-0.3 -1,-0.2 0.938 110.2 42.2 -50.7 -55.5 2.2 -0.9 -0.3 12 12 A K H > S+ 0 0 125 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.792 111.2 59.2 -65.1 -27.5 2.5 -3.9 2.0 13 13 A A H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.970 109.5 40.4 -65.2 -54.9 -0.8 -5.3 0.6 14 14 A L H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.867 114.2 55.6 -59.4 -38.3 0.5 -5.5 -3.0 15 15 A N H X S+ 0 0 115 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.938 108.3 47.6 -60.0 -47.1 3.9 -6.7 -1.6 16 16 A Q H X S+ 0 0 72 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.895 111.6 49.6 -61.7 -42.3 2.1 -9.6 0.2 17 17 A Y H >X S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 4,-1.0 0.893 104.4 59.8 -66.7 -39.6 0.1 -10.5 -2.9 18 18 A A H 3X>S+ 0 0 17 -4,-2.4 4,-1.8 1,-0.3 5,-0.8 0.889 99.5 56.4 -52.7 -42.8 3.3 -10.5 -5.0 19 19 A A H 3<5S+ 0 0 83 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.727 99.5 65.7 -63.4 -22.9 4.7 -13.2 -2.8 20 20 A H H <<5S+ 0 0 102 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.986 118.7 12.8 -64.8 -62.9 1.7 -15.4 -3.6 21 21 A S H <5S- 0 0 56 -4,-1.0 -2,-0.2 46,-0.1 -1,-0.2 0.503 99.0-121.4-100.5 -4.6 2.0 -16.0 -7.3 22 22 A G T <5 + 0 0 68 -4,-1.8 2,-0.2 -5,-0.3 -3,-0.2 0.925 56.7 151.3 67.3 47.5 5.6 -14.9 -7.7 23 23 A F < - 0 0 20 -5,-0.8 2,-0.6 44,-0.1 -1,-0.2 -0.562 49.5 -95.3-104.6 171.4 5.0 -12.2 -10.3 24 24 A T - 0 0 102 -2,-0.2 45,-2.3 2,-0.0 2,-0.3 -0.781 34.4-158.9 -97.1 122.7 6.9 -9.0 -11.0 25 25 A L E -b 69 0B 44 -2,-0.6 2,-0.5 43,-0.2 45,-0.2 -0.742 9.0-161.6 -96.3 143.4 5.7 -5.7 -9.5 26 26 A S E +b 70 0B 67 43,-0.7 45,-2.4 -2,-0.3 2,-0.3 -0.823 41.9 127.8-123.0 91.4 6.6 -2.2 -10.7 27 27 A V - 0 0 62 -2,-0.5 2,-0.4 43,-0.2 -2,-0.1 -0.999 47.7-138.6-148.8 138.3 5.9 0.1 -7.8 28 28 A D >> - 0 0 104 -2,-0.3 2,-3.0 43,-0.1 3,-1.1 -0.861 29.1-117.0-102.3 131.9 7.8 2.9 -6.0 29 29 A A T 34 S+ 0 0 63 -2,-0.4 -1,-0.0 1,-0.2 -2,-0.0 -0.354 105.2 57.7 -63.1 70.3 7.6 3.2 -2.2 30 30 A S T 34 S+ 0 0 60 -2,-3.0 3,-0.5 -19,-0.0 -1,-0.2 0.243 92.9 55.9-164.0 -49.1 6.0 6.6 -2.4 31 31 A L T <4 S+ 0 0 66 -3,-1.1 4,-0.2 1,-0.2 -2,-0.1 0.893 120.0 36.7 -63.6 -39.1 2.8 6.5 -4.5 32 32 A T S < S+ 0 0 2 -4,-0.9 -21,-0.9 2,-0.1 2,-0.8 0.378 92.0 123.6 -91.7 3.1 1.5 3.8 -2.1 33 33 A R S S- 0 0 174 -3,-0.5 3,-0.1 -5,-0.2 -24,-0.0 -0.537 80.7 -1.4 -75.4 106.4 3.2 5.5 0.9 34 34 A G S S+ 0 0 63 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.1 -0.254 92.4 117.0 119.3 -45.9 0.6 6.3 3.5 35 35 A K - 0 0 70 -4,-0.2 -25,-2.6 -26,-0.1 -24,-0.3 -0.340 51.6-145.8 -67.9 137.1 -2.8 5.1 2.2 36 36 A Q - 0 0 77 20,-0.3 2,-0.4 -27,-0.3 -27,-0.1 -0.675 9.0-158.9-102.7 152.8 -4.4 2.3 4.2 37 37 A S - 0 0 2 -2,-0.3 -29,-0.4 -31,-0.1 -28,-0.2 -0.991 18.5-140.1-134.0 123.3 -6.5 -0.6 2.9 38 38 A N - 0 0 121 -2,-0.4 2,-0.1 17,-0.4 18,-0.1 0.421 57.4-107.4 -67.8 3.3 -8.9 -2.4 5.4 39 39 A G - 0 0 19 -33,-0.3 -33,-0.3 16,-0.2 2,-0.3 -0.391 22.9-108.3 107.4-176.5 -7.9 -5.7 3.8 40 40 A L E +A 5 0A 14 -35,-1.0 -35,-2.3 -2,-0.1 2,-0.3 -0.909 27.3 171.5-160.3 122.9 -9.4 -8.3 1.5 41 41 A H E +A 4 0A 160 -2,-0.3 2,-0.3 -37,-0.2 -37,-0.2 -0.794 38.6 79.0-144.5 98.6 -10.5 -11.8 2.3 42 42 A G E S-A 3 0A 26 -39,-0.9 2,-1.8 -2,-0.3 -39,-1.8 -0.943 90.3 -52.8-168.9-169.5 -12.3 -14.0 -0.2 43 43 A D S S+ 0 0 153 -2,-0.3 2,-0.4 -41,-0.2 -41,-0.2 -0.587 75.1 161.4 -82.0 76.7 -12.0 -16.2 -3.3 44 44 A Y - 0 0 60 -2,-1.8 2,-0.1 -41,-0.1 -42,-0.1 -0.823 24.8-164.1-107.8 138.4 -10.1 -13.6 -5.2 45 45 A D > - 0 0 88 -2,-0.4 4,-1.8 -44,-0.2 5,-0.2 -0.378 45.7 -73.7-101.9-170.3 -8.0 -14.0 -8.3 46 46 A V H > S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.949 124.4 28.8 -52.0 -71.3 -5.4 -11.6 -9.8 47 47 A E H > S+ 0 0 140 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 120.5 52.3 -64.4 -40.8 -7.4 -8.9 -11.4 48 48 A S H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.784 106.5 55.2 -71.0 -25.9 -10.5 -9.1 -9.1 49 49 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.885 106.7 49.7 -72.4 -37.7 -8.2 -8.8 -6.1 50 50 A L H X S+ 0 0 5 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.902 105.2 56.9 -67.5 -43.1 -6.7 -5.5 -7.3 51 51 A Q H >< S+ 0 0 141 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.888 111.3 43.4 -57.0 -42.2 -10.0 -3.9 -8.0 52 52 A Q H >< S+ 0 0 90 -4,-1.3 3,-2.6 1,-0.2 -1,-0.2 0.860 103.4 65.4 -70.0 -37.7 -11.1 -4.5 -4.4 53 53 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.680 85.6 74.5 -58.5 -17.7 -7.6 -3.4 -3.1 54 54 A L T X< + 0 0 54 -4,-0.8 3,-2.2 -3,-0.6 2,-0.6 0.628 69.2 111.1 -69.8 -12.3 -8.6 0.1 -4.5 55 55 A D T < S+ 0 0 96 -3,-2.6 -17,-0.4 1,-0.3 -16,-0.2 -0.516 88.6 13.3 -67.4 109.6 -10.9 0.3 -1.5 56 56 A G T 3 S+ 0 0 56 -2,-0.6 -20,-0.3 1,-0.4 -1,-0.3 0.297 119.0 82.9 105.7 -6.7 -9.4 3.1 0.6 57 57 A S < - 0 0 26 -3,-2.2 -1,-0.4 -22,-0.1 -25,-0.0 -0.734 62.2-150.8-121.7 169.3 -7.0 4.3 -2.1 58 58 A G S S+ 0 0 40 -2,-0.2 16,-0.3 -3,-0.1 2,-0.1 0.132 70.2 98.9-121.2 15.6 -7.1 6.6 -5.1 59 59 A L - 0 0 11 -5,-0.1 2,-0.4 14,-0.1 -2,-0.1 -0.298 66.0-131.6 -92.6-179.4 -4.4 4.7 -7.0 60 60 A Q E -C 72 0B 86 12,-0.9 12,-1.7 -2,-0.1 2,-0.8 -0.958 5.1-148.8-139.7 117.9 -4.8 2.1 -9.8 61 61 A V E -C 71 0B 16 -2,-0.4 10,-0.2 10,-0.2 -7,-0.1 -0.787 23.5-170.1 -87.0 113.6 -3.0 -1.2 -9.9 62 62 A K E -C 70 0B 76 8,-2.5 8,-2.9 -2,-0.8 2,-0.1 -0.916 24.9-120.1-115.9 116.9 -2.5 -2.0 -13.5 63 63 A P E -C 69 0B 52 0, 0.0 6,-0.4 0, 0.0 3,-0.1 -0.331 19.4-156.4 -52.7 121.8 -1.3 -5.4 -14.8 64 64 A L E - 0 0 100 4,-0.9 2,-0.3 1,-0.3 5,-0.2 0.962 59.8 -52.1 -68.5 -53.8 1.9 -4.8 -16.7 65 65 A G E > S-C 68 0B 28 3,-0.6 3,-2.7 -3,-0.0 2,-2.0 -0.852 105.5 -0.4 176.8 149.3 1.7 -7.9 -18.8 66 66 A N T 3 S- 0 0 188 1,-0.3 3,-0.0 -2,-0.3 0, 0.0 -0.420 135.1 -27.4 65.5 -82.1 1.3 -11.6 -18.6 67 67 A N T 3 S+ 0 0 74 -2,-2.0 -1,-0.3 -43,-0.1 2,-0.1 0.173 116.1 101.3-147.2 13.2 0.9 -11.8 -14.8 68 68 A S E < - C 0 65B 27 -3,-2.7 -4,-0.9 -45,-0.1 -3,-0.6 -0.472 53.6-147.0-103.6 174.3 3.0 -8.8 -13.7 69 69 A W E -bC 25 63B 1 -45,-2.3 -43,-0.7 -6,-0.4 2,-0.3 -0.896 10.7-163.2-139.6 161.9 1.8 -5.4 -12.5 70 70 A T E -bC 26 62B 32 -8,-2.9 -8,-2.5 -2,-0.3 2,-1.0 -0.983 29.8-116.5-142.7 149.3 2.7 -1.7 -12.5 71 71 A L E - C 0 61B 10 -45,-2.4 -10,-0.2 -2,-0.3 -43,-0.1 -0.770 28.2-159.8 -92.4 105.5 1.3 1.1 -10.4 72 72 A E E - C 0 60B 88 -12,-1.7 -12,-0.9 -2,-1.0 2,-0.7 -0.740 12.5-138.0 -87.2 118.8 -0.4 3.6 -12.7 73 73 A P + 0 0 78 0, 0.0 -14,-0.1 0, 0.0 -1,-0.0 -0.681 53.0 124.9 -83.2 115.0 -0.7 7.0 -11.0 74 74 A A + 0 0 33 -2,-0.7 -2,-0.1 -16,-0.3 4,-0.0 -0.219 17.2 138.0-162.6 62.0 -4.1 8.6 -11.6 75 75 A P S S- 0 0 80 0, 0.0 -16,-0.0 0, 0.0 -18,-0.0 0.990 94.7 -39.1 -72.4 -75.7 -5.7 9.5 -8.2 76 76 A A S S+ 0 0 94 3,-0.0 3,-0.2 1,-0.0 -17,-0.0 -0.321 90.4 138.7-143.4 56.3 -7.1 13.0 -8.9 77 77 A P S S- 0 0 90 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.542 83.0 -10.2 -86.0 -7.9 -4.3 14.3 -11.0 78 78 A K - 0 0 134 -4,-0.0 2,-0.6 -3,-0.0 0, 0.0 -0.655 55.1-137.9 177.2 132.7 -6.8 15.9 -13.4 79 79 A E 0 0 209 -2,-0.2 -3,-0.0 -3,-0.2 0, 0.0 -0.261 360.0 360.0 -89.0 47.8 -10.5 15.6 -13.7 80 80 A D 0 0 173 -2,-0.6 -1,-0.0 0, 0.0 0, 0.0 -0.911 360.0 360.0-119.2 360.0 -10.0 15.5 -17.5