==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 01-SEP-05 2D1U . COMPND 2 MOLECULE: IRON(III) DICITRATE TRANSPORT PROTEIN FECA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GARCIA-HERRERO,H.J.VOGEL . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.6 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1.0 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 . 7 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 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 71 0, 0.0 43,-2.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 107.7 2.1 -0.0 -1.2 2 2 A Q E +A 43 0A 114 41,-0.3 2,-0.4 39,-0.1 41,-0.3 -0.328 360.0 177.8 -55.9 120.8 1.6 -3.0 -3.5 3 3 A V E -A 42 0A 11 39,-3.0 2,-0.6 -2,-0.1 39,-0.5 -0.957 11.0-178.2-134.6 116.0 4.9 -5.0 -3.5 4 4 A N E +A 41 0A 103 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.940 9.5 170.8-117.8 113.0 5.4 -8.2 -5.4 5 5 A I - 0 0 14 35,-2.1 35,-0.1 -2,-0.6 8,-0.1 -0.967 28.3-129.9-124.3 137.5 8.8 -9.9 -5.2 6 6 A A - 0 0 73 -2,-0.4 10,-0.1 33,-0.2 3,-0.0 -0.698 23.9-139.0 -87.7 131.1 9.8 -13.4 -6.4 7 7 A P + 0 0 83 0, 0.0 31,-0.1 0, 0.0 -1,-0.1 0.196 61.7 105.2 -69.8-164.7 11.6 -15.7 -3.9 8 8 A G S S+ 0 0 41 29,-0.7 2,-0.2 31,-0.0 30,-0.1 0.511 85.4 46.4 102.3 7.9 14.5 -18.0 -4.6 9 9 A S > - 0 0 48 28,-0.5 4,-2.7 1,-0.1 27,-0.2 -0.639 57.6-156.8 179.0 118.3 17.1 -15.8 -3.0 10 10 A L H > S+ 0 0 38 25,-1.2 4,-1.6 22,-0.2 26,-0.1 0.937 100.3 51.1 -65.6 -48.1 17.3 -14.0 0.4 11 11 A D H > S+ 0 0 66 24,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.897 114.4 45.0 -56.3 -42.8 19.9 -11.5 -0.8 12 12 A K H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.972 109.3 52.5 -66.3 -56.1 17.7 -10.7 -3.8 13 13 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.777 108.5 56.5 -51.3 -27.3 14.4 -10.4 -2.0 14 14 A L H X S+ 0 0 41 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.964 108.7 41.3 -70.4 -54.3 16.2 -8.0 0.3 15 15 A N H X S+ 0 0 79 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.826 111.7 60.2 -63.0 -32.0 17.3 -5.5 -2.4 16 16 A Q H X S+ 0 0 74 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.969 116.4 28.7 -60.3 -56.5 13.9 -5.9 -4.1 17 17 A Y H X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.861 117.5 59.8 -73.4 -37.0 12.0 -4.6 -1.1 18 18 A A H X>S+ 0 0 19 -4,-3.1 4,-2.1 1,-0.2 5,-0.7 0.828 106.6 48.2 -60.2 -32.6 14.8 -2.4 0.1 19 19 A A H <5S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.793 109.7 51.7 -78.1 -29.7 14.7 -0.6 -3.2 20 20 A H H <5S+ 0 0 65 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.769 115.4 42.4 -77.0 -26.9 10.9 -0.2 -3.0 21 21 A S H <5S- 0 0 38 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.942 95.4-138.1 -83.5 -56.0 11.2 1.3 0.5 22 22 A G T <5 + 0 0 66 -4,-2.1 2,-0.2 1,-0.4 -3,-0.1 0.683 59.9 113.3 102.2 24.1 14.1 3.6 0.1 23 23 A F < - 0 0 19 -5,-0.7 -1,-0.4 23,-0.0 2,-0.3 -0.740 64.1-107.9-121.9 170.6 15.9 2.9 3.4 24 24 A T E -b 68 0B 91 43,-0.7 45,-2.2 -2,-0.2 2,-0.4 -0.754 27.0-168.3-101.7 147.5 19.2 1.2 4.5 25 25 A L E -b 69 0B 33 -2,-0.3 2,-0.6 43,-0.2 45,-0.2 -0.996 8.7-163.2-138.8 131.7 19.5 -2.2 6.1 26 26 A S + 0 0 71 43,-2.7 45,-0.5 -2,-0.4 2,-0.4 -0.901 25.2 154.5-118.4 103.4 22.5 -3.8 7.8 27 27 A V - 0 0 48 -2,-0.6 2,-0.9 43,-0.2 45,-0.1 -0.988 53.2-101.7-131.6 138.3 22.2 -7.6 8.3 28 28 A D >> - 0 0 108 -2,-0.4 4,-0.8 43,-0.4 3,-0.8 -0.378 34.7-176.0 -58.4 97.8 24.9 -10.2 8.7 29 29 A A H 3> + 0 0 35 -2,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.563 64.6 93.4 -73.6 -7.8 24.8 -11.7 5.2 30 30 A S H 34 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.907 98.1 28.9 -50.7 -47.1 27.4 -14.2 6.4 31 31 A L H <4 S+ 0 0 122 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.806 114.3 64.8 -84.0 -32.7 24.6 -16.6 7.2 32 32 A T H >< S+ 0 0 16 -4,-0.8 3,-2.8 2,-0.1 2,-0.7 0.923 79.5 89.4 -55.7 -47.9 22.3 -15.3 4.6 33 33 A R T 3< S+ 0 0 156 -4,-2.9 3,-0.1 1,-0.3 -1,-0.1 -0.351 93.2 31.2 -56.4 100.3 24.6 -16.5 1.8 34 34 A G T 3 S+ 0 0 84 -2,-0.7 -1,-0.3 1,-0.6 2,-0.2 0.176 109.5 70.5 135.0 -16.2 23.3 -20.0 1.2 35 35 A K < - 0 0 111 -3,-2.8 -25,-1.2 -4,-0.1 -1,-0.6 -0.716 64.2-136.2-123.1 174.4 19.6 -19.7 2.1 36 36 A Q - 0 0 136 -27,-0.2 2,-0.3 -2,-0.2 -3,-0.0 -0.685 9.7-142.3-124.3 178.1 16.5 -18.1 0.6 37 37 A S - 0 0 15 -2,-0.2 -29,-0.7 19,-0.0 -28,-0.5 -0.950 27.3 -96.0-141.7 160.4 13.5 -16.0 1.7 38 38 A N - 0 0 100 15,-1.1 17,-0.2 -2,-0.3 -32,-0.1 -0.649 42.1-131.1 -81.0 126.3 9.8 -15.7 1.0 39 39 A G - 0 0 19 -2,-0.4 2,-0.3 1,-0.1 -33,-0.2 0.043 23.8-102.2 -65.1-179.6 9.0 -13.0 -1.4 40 40 A L + 0 0 1 -35,-0.1 -35,-2.1 -27,-0.1 2,-0.2 -0.731 31.2 179.2-108.0 157.9 6.3 -10.3 -0.9 41 41 A H E +A 4 0A 154 -2,-0.3 2,-0.2 -37,-0.2 -37,-0.2 -0.697 49.1 18.7-161.2 101.4 2.8 -10.1 -2.4 42 42 A G E S-A 3 0A 11 -39,-0.5 -39,-3.0 -2,-0.2 2,-1.0 -0.743 98.8 -35.6 131.5-179.9 0.3 -7.3 -1.6 43 43 A D E S+A 2 0A 114 -41,-0.3 2,-0.4 -2,-0.2 -41,-0.3 -0.676 71.3 150.1 -81.5 103.8 0.2 -3.7 -0.2 44 44 A Y - 0 0 79 -43,-2.2 -2,-0.1 -2,-1.0 -4,-0.0 -0.996 37.9-131.6-140.1 132.5 2.8 -3.6 2.6 45 45 A D > - 0 0 105 -2,-0.4 4,-3.0 1,-0.1 5,-0.4 0.074 45.6 -82.8 -67.0-175.1 4.9 -0.6 3.8 46 46 A V H > S+ 0 0 55 2,-0.2 4,-1.4 3,-0.2 -25,-0.1 0.926 132.3 33.3 -57.9 -47.7 8.7 -0.7 4.3 47 47 A E H > S+ 0 0 97 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.952 121.0 48.1 -74.1 -52.4 8.3 -2.3 7.7 48 48 A S H > S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.938 117.7 41.8 -53.7 -52.0 5.2 -4.4 7.0 49 49 A G H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.861 112.1 55.9 -65.1 -36.1 6.6 -5.8 3.8 50 50 A L H >X S+ 0 0 8 -4,-1.4 4,-1.7 -5,-0.4 3,-0.5 0.926 107.8 47.0 -62.2 -46.4 10.1 -6.3 5.4 51 51 A Q H 3< S+ 0 0 83 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.762 108.9 57.1 -66.9 -24.8 8.6 -8.5 8.1 52 52 A Q H 3< S+ 0 0 75 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.762 104.8 52.2 -76.8 -26.2 6.7 -10.4 5.5 53 53 A L H << S+ 0 0 4 -4,-1.2 -15,-1.1 -3,-0.5 -2,-0.2 0.965 118.0 33.0 -73.7 -55.7 9.9 -11.2 3.6 54 54 A L S >< S+ 0 0 39 -4,-1.7 3,-1.1 -17,-0.1 4,-0.5 0.522 89.7 134.7 -78.4 -5.2 11.9 -12.7 6.5 55 55 A D T 3 + 0 0 79 -4,-0.4 -17,-0.2 -5,-0.2 -3,-0.1 -0.224 47.2 63.9 -48.6 119.2 8.6 -14.0 7.9 56 56 A G T 3 S+ 0 0 73 -19,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.082 101.9 40.0 152.2 -28.5 9.2 -17.6 9.0 57 57 A S S < S- 0 0 74 -3,-1.1 -2,-0.1 2,-0.0 -3,-0.0 0.642 97.0-126.6-115.5 -29.8 11.8 -17.4 11.8 58 58 A G + 0 0 46 -4,-0.5 16,-0.5 -7,-0.1 2,-0.2 0.893 37.7 172.1 78.4 95.8 10.6 -14.4 13.7 59 59 A L E -C 73 0B 57 14,-0.1 2,-0.4 -8,-0.1 -1,-0.1 -0.785 29.7-110.1-128.8 172.6 13.3 -11.8 14.4 60 60 A Q E -C 72 0B 62 12,-1.9 12,-2.1 -2,-0.2 2,-0.5 -0.857 21.1-156.2-108.8 141.4 13.5 -8.2 15.8 61 61 A V E +C 71 0B 26 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.964 17.7 168.5-120.8 121.4 14.2 -5.1 13.8 62 62 A K E -C 70 0B 84 8,-1.5 8,-1.5 -2,-0.5 -2,-0.0 -0.991 30.9-117.6-134.2 140.1 15.7 -2.0 15.3 63 63 A P E -C 69 0B 74 0, 0.0 6,-0.3 0, 0.0 4,-0.1 -0.230 19.3-170.8 -69.7 161.0 17.2 1.2 13.8 64 64 A L - 0 0 104 4,-2.7 5,-0.1 0, 0.0 6,-0.0 0.711 63.7 -19.4-116.8 -64.1 20.8 2.3 14.3 65 65 A G S S- 0 0 57 3,-0.3 0, 0.0 0, 0.0 0, 0.0 0.340 116.7 -14.9-115.6-114.4 21.4 5.8 13.0 66 66 A N S S- 0 0 167 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 0.985 128.9 -31.9 -59.0 -83.2 19.3 7.9 10.5 67 67 A N S S+ 0 0 69 -4,-0.1 -43,-0.7 2,-0.1 2,-0.5 -0.025 99.1 128.8-131.4 28.7 17.0 5.4 8.9 68 68 A S E -b 24 0B 24 -45,-0.1 -4,-2.7 -43,-0.1 -3,-0.3 -0.778 36.4-168.9 -92.4 124.9 19.2 2.3 8.9 69 69 A W E -bC 25 63B 48 -45,-2.2 -43,-2.7 -2,-0.5 2,-0.3 -0.765 3.3-160.0-111.6 158.0 17.6 -0.9 10.4 70 70 A T E - C 0 62B 12 -8,-1.5 -8,-1.5 -2,-0.3 2,-0.5 -0.959 14.3-130.6-136.9 154.3 19.1 -4.2 11.4 71 71 A L E + C 0 61B 22 -45,-0.5 -43,-0.4 -2,-0.3 -10,-0.2 -0.920 28.9 176.4-110.0 122.9 17.9 -7.8 12.0 72 72 A E E - C 0 60B 60 -12,-2.1 -12,-1.9 -2,-0.5 2,-0.3 -0.855 38.4 -90.0-123.3 158.7 18.9 -9.6 15.2 73 73 A P E - C 0 59B 113 0, 0.0 -14,-0.1 0, 0.0 -15,-0.0 -0.510 45.9-166.3 -69.7 122.8 18.1 -13.0 16.7 74 74 A A - 0 0 36 -16,-0.5 2,-0.1 -2,-0.3 0, 0.0 -0.725 27.2 -90.6-110.1 160.4 15.0 -12.8 19.0 75 75 A P + 0 0 128 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.422 47.3 178.7 -69.7 139.5 13.6 -15.3 21.5 76 76 A A - 0 0 70 -2,-0.1 3,-0.2 1,-0.0 -18,-0.0 -0.948 28.7 -95.7-140.8 160.5 11.1 -17.9 20.3 77 77 A P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.157 67.3 -60.1 -69.8 167.4 9.0 -20.8 21.7 78 78 A K - 0 0 170 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.302 65.8-128.3 -52.6 104.3 10.0 -24.4 21.4 79 79 A E - 0 0 152 -2,-0.4 2,-0.2 -3,-0.2 -1,-0.1 -0.044 28.4-161.4 -52.3 158.5 10.2 -24.9 17.7 80 80 A D - 0 0 149 -3,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.761 19.7 -97.6-135.2-179.1 8.3 -27.8 16.1 81 81 A A - 0 0 97 -2,-0.2 2,-0.1 3,-0.0 3,-0.1 -0.910 31.4-138.3-110.3 130.3 8.2 -29.9 13.0 82 82 A L - 0 0 154 -2,-0.5 3,-0.1 1,-0.2 0, 0.0 -0.431 38.1 -79.4 -82.2 158.5 5.7 -29.2 10.1 83 83 A T - 0 0 131 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.062 54.3 -97.4 -52.4 156.3 3.8 -31.9 8.3 84 84 A V - 0 0 131 -3,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.657 39.3-113.0 -83.1 130.3 5.7 -33.8 5.5 85 85 A V - 0 0 117 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 -0.290 28.7-145.6 -60.8 142.2 5.1 -32.6 2.0 86 86 A G - 0 0 67 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.617 29.5 -82.3 -79.1-125.1 3.3 -35.0 -0.3 87 87 A D - 0 0 142 1,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.867 31.9-105.8-142.0 174.6 3.9 -35.3 -4.0 88 88 A W - 0 0 210 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.137 39.6 -96.7 -91.5-169.5 3.1 -33.8 -7.4 89 89 A L - 0 0 164 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.894 44.6-166.1 -77.7 -42.5 0.8 -34.9 -10.1 90 90 A G + 0 0 67 1,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.968 13.5 175.8 51.3 83.5 3.5 -36.5 -12.2 91 91 A D + 0 0 135 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.278 30.9 131.4-111.6 45.0 1.8 -37.1 -15.6 92 92 A A - 0 0 95 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.367 48.2-127.0 -90.9 173.2 4.9 -38.4 -17.5 93 93 A R - 0 0 208 -2,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.826 11.5-142.2-121.0 160.4 5.2 -41.5 -19.7 94 94 A E - 0 0 187 -2,-0.3 2,-0.4 0, 0.0 0, 0.0 -0.922 7.9-144.4-124.1 149.0 7.6 -44.5 -19.7 95 95 A N - 0 0 144 -2,-0.3 2,-0.0 1,-0.0 -2,-0.0 -0.873 21.6-114.7-113.8 145.6 9.1 -46.4 -22.6 96 96 A D - 0 0 164 -2,-0.4 2,-0.3 1,-0.0 -1,-0.0 -0.305 28.7-147.0 -72.9 158.9 9.8 -50.1 -22.7 97 97 A L - 0 0 154 2,-0.0 2,-0.4 -2,-0.0 -1,-0.0 -0.888 2.6-137.1-127.7 158.7 13.4 -51.5 -23.0 98 98 A E + 0 0 172 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.953 25.8 162.4-120.1 135.4 15.1 -54.5 -24.6 99 99 A H - 0 0 167 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.919 8.5-178.3-154.5 123.7 17.7 -56.7 -23.0 100 100 A H - 0 0 144 -2,-0.3 2,-0.1 0, 0.0 -2,-0.0 -0.921 25.6-118.3-124.4 149.6 18.9 -60.2 -24.0 101 101 A H - 0 0 174 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 -0.473 26.9-156.2 -83.4 155.7 21.5 -62.5 -22.5 102 102 A H - 0 0 162 -2,-0.1 2,-0.2 2,-0.0 -1,-0.0 -0.882 5.6-133.3-130.3 162.0 24.6 -63.7 -24.3 103 103 A H 0 0 166 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.451 360.0 360.0-105.8-179.4 27.0 -66.6 -24.1 104 104 A H 0 0 225 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 0.611 360.0 360.0 -59.4 360.0 30.8 -67.0 -24.1