==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 10-APR-99 1QFG . COMPND 2 MOLECULE: PROTEIN (FERRIC HYDROXAMATE UPTAKE RECEPTOR); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.D.FERGUSON,W.WELTE,E.HOFMANN,B.LINDNER,O.HOLST,J.W.COULTON . 707 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 352 49.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 . 63 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 3 0 2 1 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 4 1 2 2 2 3 1 1 3 2 1 1 0 1 2 0 3 0 0 0 2 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 19 A E 0 0 157 0, 0.0 2,-0.2 0, 0.0 573,-0.1 0.000 360.0 360.0 360.0 -69.4 73.5 111.4 28.5 2 20 A S > - 0 0 19 571,-0.3 3,-2.0 1,-0.1 5,-0.4 -0.624 360.0-100.3 -89.8 154.4 73.9 107.6 28.3 3 21 A A T 3 S+ 0 0 57 1,-0.3 5,-0.3 -2,-0.2 35,-0.1 0.760 117.1 49.7 -43.3 -47.8 71.7 105.5 30.6 4 22 A W T 3 S+ 0 0 28 34,-0.3 -1,-0.3 3,-0.1 5,-0.1 0.176 95.9 93.7 -80.5 13.7 74.2 104.6 33.4 5 23 A G S <> S- 0 0 1 -3,-2.0 4,-1.8 3,-0.1 -2,-0.1 0.737 108.2 -39.7 -78.1-122.2 75.2 108.2 33.7 6 24 A P H > S+ 0 0 33 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.729 133.1 67.4 -80.3 -27.7 73.7 110.7 36.1 7 25 A A H > S+ 0 0 64 -5,-0.4 4,-1.3 1,-0.2 -3,-0.1 0.883 111.4 38.4 -56.2 -39.0 70.2 109.2 35.6 8 26 A A H > S+ 0 0 0 -5,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.942 113.7 53.3 -73.4 -53.6 71.8 106.2 37.3 9 27 A T H < S+ 0 0 10 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.933 116.7 39.8 -46.9 -55.3 73.9 108.2 39.9 10 28 A I H >< S+ 0 0 74 -4,-3.2 3,-2.1 1,-0.2 4,-0.5 0.837 107.5 58.2 -69.7 -37.8 70.8 110.1 41.1 11 29 A A H >< S+ 0 0 46 -4,-1.3 3,-0.8 -5,-0.4 -1,-0.2 0.851 105.3 57.2 -59.6 -28.2 68.3 107.2 41.0 12 30 A A T 3< S+ 0 0 3 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.210 82.8 80.4 -87.2 15.9 70.8 105.7 43.4 13 31 A R T < S+ 0 0 16 -3,-2.1 12,-4.3 11,-0.1 2,-0.3 0.736 87.4 71.8 -88.5 -25.7 70.6 108.5 45.9 14 32 A Q E < +A 24 0A 79 -3,-0.8 2,-0.3 -4,-0.5 8,-0.1 -0.647 61.8 150.3 -91.6 138.9 67.4 106.9 47.1 15 33 A S E -A 23 0A 5 8,-1.8 8,-1.9 -2,-0.3 6,-0.1 -0.971 31.2-169.8-158.1 177.7 67.2 103.7 49.1 16 34 A A >> + 0 0 35 -2,-0.3 4,-2.5 6,-0.2 3,-1.1 0.449 67.8 90.9-149.8 -15.5 65.3 101.8 51.7 17 35 A T T 34 S+ 0 0 4 1,-0.2 97,-0.1 2,-0.2 5,-0.1 0.816 90.8 52.1 -59.3 -30.4 67.2 98.8 52.7 18 36 A G T 34 S+ 0 0 1 1,-0.1 -1,-0.2 5,-0.1 4,-0.1 0.598 127.9 12.2 -86.4 -11.1 68.9 100.8 55.5 19 37 A T T <4 S- 0 0 0 -3,-1.1 -2,-0.2 2,-0.3 -1,-0.1 0.326 89.0-122.7-143.2 -3.1 65.8 102.2 57.2 20 38 A K S < S+ 0 0 15 -4,-2.5 2,-0.4 1,-0.2 -3,-0.1 0.665 89.8 89.5 60.1 15.0 62.9 100.4 55.8 21 39 A T S S- 0 0 3 -5,-0.3 2,-1.1 -6,-0.1 -2,-0.3 -0.955 98.9 -95.7-133.2 151.7 61.5 103.7 54.9 22 40 A D + 0 0 112 -2,-0.4 -6,-0.2 -3,-0.1 -8,-0.0 -0.619 65.1 156.2 -72.8 105.8 62.2 105.4 51.6 23 41 A T E -A 15 0A 7 -8,-1.9 -8,-1.8 -2,-1.1 2,-0.2 -0.933 42.1-115.6-132.8 146.1 65.2 107.6 52.7 24 42 A P E > -A 14 0A 21 0, 0.0 3,-1.7 0, 0.0 -10,-0.3 -0.540 35.2-108.2 -84.0 157.6 68.0 109.2 50.7 25 43 A I G > S+ 0 0 18 -12,-4.3 3,-1.1 1,-0.3 5,-0.2 0.639 114.0 57.3 -67.1 -20.0 71.5 108.1 51.4 26 44 A Q G 3 S+ 0 0 26 1,-0.3 -1,-0.3 -13,-0.2 493,-0.1 0.730 104.9 56.5 -80.4 -15.4 72.8 111.0 53.1 27 45 A K G < S+ 0 0 51 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.277 88.5 98.8 -92.5 11.2 70.0 110.7 55.6 28 46 A V < - 0 0 3 -3,-1.1 4,-0.1 1,-0.1 447,-0.1 -0.937 62.2-157.1-114.4 112.9 71.2 107.1 56.2 29 47 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 446,-0.1 0.048 72.5 62.1 -61.1 4.9 73.3 106.7 59.4 30 48 A Q S S- 0 0 0 -5,-0.2 2,-0.3 444,-0.1 86,-0.1 -0.958 96.1 -87.5-143.1 158.4 74.9 103.6 58.2 31 49 A S + 0 0 1 84,-0.3 84,-1.7 -2,-0.3 2,-0.3 -0.489 54.8 163.6 -68.3 125.7 77.2 102.5 55.3 32 50 A I E -B 114 0B 15 -2,-0.3 2,-0.3 82,-0.2 82,-0.2 -0.973 20.0-162.2-150.5 135.3 75.1 101.5 52.2 33 51 A S E -B 113 0B 1 80,-2.3 80,-1.6 -2,-0.3 2,-0.4 -0.859 5.0-159.5-118.4 152.5 75.8 101.0 48.5 34 52 A V E -B 112 0B 5 -2,-0.3 2,-0.5 78,-0.2 78,-0.2 -0.985 6.7-172.1-135.9 135.8 73.5 100.9 45.5 35 53 A V E -B 111 0B 13 76,-2.4 76,-2.3 -2,-0.4 2,-0.2 -0.996 19.2-146.8-133.2 126.7 73.9 99.4 42.1 36 54 A T E > -B 110 0B 3 -2,-0.5 4,-2.1 74,-0.2 5,-0.2 -0.480 24.7-112.8 -96.8 161.3 71.3 100.1 39.5 37 55 A A H > S+ 0 0 21 72,-1.5 4,-2.1 1,-0.2 5,-0.2 0.852 116.5 56.5 -58.7 -39.4 69.9 98.2 36.6 38 56 A E H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -34,-0.3 0.913 107.5 51.2 -63.1 -41.5 71.4 100.6 34.1 39 57 A E H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.939 111.3 44.1 -62.7 -44.0 74.7 99.9 35.7 40 58 A M H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.801 109.0 58.7 -69.7 -24.7 74.4 96.1 35.4 41 59 A A H < S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.893 113.1 40.8 -69.9 -35.6 73.1 96.6 31.9 42 60 A L H < S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.1 0.975 123.4 35.1 -71.1 -57.0 76.5 98.3 31.2 43 61 A H H < S- 0 0 48 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.649 88.0-150.0 -73.7 -25.8 78.8 96.0 33.1 44 62 A Q < - 0 0 38 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.853 17.4-158.2 55.6 51.2 77.0 92.7 32.5 45 63 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.211 20.9-136.8 -62.8 140.5 77.9 90.9 35.7 46 64 A K S S+ 0 0 57 59,-0.1 2,-0.2 58,-0.1 -2,-0.1 0.950 86.7 0.4 -62.6 -44.5 77.8 87.2 35.7 47 65 A S S > S- 0 0 2 57,-0.1 4,-1.2 58,-0.1 57,-0.1 -0.707 83.9 -90.2-134.8-178.4 76.2 87.4 39.1 48 66 A V H > S+ 0 0 2 55,-0.3 4,-0.9 -2,-0.2 56,-0.1 0.805 120.2 69.0 -58.4 -27.2 75.0 89.9 41.9 49 67 A K H >4 S+ 0 0 17 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.970 99.0 40.8 -55.6 -59.3 78.5 89.4 43.1 50 68 A E H >4 S+ 0 0 66 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.812 104.2 71.2 -61.2 -28.3 80.3 91.3 40.3 51 69 A A H 3< S+ 0 0 12 -4,-1.2 3,-0.3 1,-0.3 -1,-0.3 0.803 100.7 43.8 -58.9 -29.6 77.6 93.8 40.4 52 70 A L T X< S+ 0 0 1 -3,-2.0 3,-2.0 -4,-0.9 -1,-0.3 0.329 81.1 115.8 -98.3 6.9 79.0 95.0 43.8 53 71 A S T < S+ 0 0 15 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.619 73.1 49.0 -50.5 -21.2 82.6 94.9 42.5 54 72 A Y T 3 S+ 0 0 22 -3,-0.3 -1,-0.3 -4,-0.2 554,-0.1 0.094 93.4 100.6-109.7 29.8 83.2 98.6 42.8 55 73 A T S X S- 0 0 10 -3,-2.0 3,-0.6 3,-0.1 525,-0.1 -0.824 72.2-107.2-115.7 143.6 81.9 99.0 46.3 56 74 A P T 3 S+ 0 0 0 0, 0.0 508,-0.1 0, 0.0 526,-0.1 -0.354 86.1 18.8 -76.8 156.4 83.7 99.2 49.5 57 75 A G T 3 S+ 0 0 1 506,-0.2 18,-3.0 1,-0.1 2,-0.4 0.592 94.5 100.3 75.8 20.8 84.0 96.6 52.3 58 76 A V E < -F 74 0C 12 -3,-0.6 2,-0.6 16,-0.2 16,-0.2 -0.993 55.7-151.3-142.0 128.1 83.1 93.5 50.4 59 77 A S E +F 73 0C 14 14,-2.6 14,-1.4 -2,-0.4 -6,-0.0 -0.872 21.5 171.7 -93.0 122.4 85.1 90.6 48.9 60 78 A V + 0 0 22 -2,-0.6 3,-0.3 12,-0.2 -1,-0.1 0.654 69.8 53.8-104.9 -15.3 83.0 89.3 46.0 61 79 A G > + 0 0 34 1,-0.2 3,-3.0 -12,-0.1 5,-0.1 0.336 61.9 123.8-104.5 12.1 85.5 86.9 44.5 62 80 A T T 3 S+ 0 0 10 1,-0.3 -1,-0.2 9,-0.2 630,-0.2 0.782 80.0 44.3 -37.6 -47.1 86.5 84.7 47.4 63 81 A R T > S- 0 0 52 -3,-0.3 3,-1.8 1,-0.2 -1,-0.3 0.279 95.1-155.5 -89.4 8.4 85.6 81.5 45.6 64 82 A G T < + 0 0 21 -3,-3.0 -1,-0.2 1,-0.3 630,-0.2 -0.185 66.8 6.6 59.6-134.7 87.1 82.4 42.3 65 83 A A T 3 S+ 0 0 15 628,-1.9 -1,-0.3 629,-0.1 121,-0.2 0.686 102.9 103.8 -60.8 -19.2 85.7 80.7 39.2 66 84 A S < - 0 0 11 -3,-1.8 160,-0.1 627,-0.3 -3,-0.1 -0.342 42.8-179.8 -64.0 149.6 82.9 79.0 41.0 67 85 A N + 0 0 16 158,-0.4 -1,-0.1 156,-0.4 157,-0.1 0.342 47.7 110.1-124.7 0.3 79.5 80.6 40.5 68 86 A T S S+ 0 0 2 157,-0.5 2,-0.3 155,-0.1 158,-0.1 0.815 83.4 21.5 -47.2 -34.1 77.3 78.3 42.6 69 87 A Y - 0 0 22 2,-0.1 2,-1.0 33,-0.0 33,-0.1 -0.934 66.4-128.9-138.1 155.9 76.6 80.8 45.3 70 88 A D + 0 0 5 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.678 46.5 167.8-105.2 78.3 76.6 84.5 45.9 71 89 A H - 0 0 41 -2,-1.0 2,-0.5 -11,-0.1 -8,-0.2 -0.760 11.7-172.1 -91.7 131.0 78.7 84.4 49.0 72 90 A L - 0 0 15 -2,-0.4 2,-0.7 -11,-0.1 -12,-0.2 -0.972 20.9-151.3-131.8 130.4 80.0 87.6 50.3 73 91 A I E -F 59 0C 9 -14,-1.4 -14,-2.6 -2,-0.5 2,-0.4 -0.888 26.4-168.7 -93.9 120.4 82.5 88.4 53.0 74 92 A I E > -FG 58 77C 9 3,-2.4 3,-2.5 -2,-0.7 -16,-0.2 -0.957 63.5 -15.5-116.8 129.6 81.5 91.9 54.3 75 93 A R T 3 S- 0 0 1 -18,-3.0 -1,-0.2 -2,-0.4 -17,-0.1 0.864 129.8 -54.0 47.5 43.0 83.7 94.0 56.7 76 94 A G T 3 S+ 0 0 13 -19,-0.2 -1,-0.3 1,-0.2 2,-0.3 0.206 118.5 96.0 78.5 -18.2 85.6 90.8 57.4 77 95 A F B < -G 74 0C 14 -3,-2.5 -3,-2.4 49,-0.1 2,-0.3 -0.723 44.7-171.4-112.0 163.7 82.6 88.6 58.4 78 96 A A - 0 0 18 -2,-0.3 3,-0.1 -5,-0.2 -5,-0.1 -0.866 39.0 -78.8-135.3 164.6 80.3 86.0 56.9 79 97 A A > - 0 0 11 4,-0.7 3,-2.9 -2,-0.3 4,-0.2 -0.126 61.0 -67.5 -66.8 163.9 77.2 84.4 58.3 80 98 A E G > S+ 0 0 59 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 -0.303 126.7 4.0 -47.5 114.2 76.7 81.6 60.8 81 99 A G G 3 S- 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.219 119.8 -78.3 90.0 -15.0 78.0 78.7 58.8 82 100 A Q G < S+ 0 0 122 -3,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.632 88.0 151.7 89.6 11.2 79.3 80.5 55.7 83 101 A S < - 0 0 28 -3,-0.7 -4,-0.7 -4,-0.2 -1,-0.3 -0.411 54.3 -95.8 -68.1 149.8 75.6 80.6 54.7 84 102 A Q - 0 0 6 -2,-0.1 11,-0.3 -6,-0.1 2,-0.3 -0.395 22.7-154.7 -64.5 151.0 74.5 83.5 52.4 85 103 A N + 0 0 14 -13,-0.1 46,-1.6 -3,-0.1 2,-0.4 -0.620 42.5 151.3-123.1 68.0 73.0 86.4 54.2 86 104 A N E -c 131 0B 6 7,-0.4 7,-2.5 -2,-0.3 2,-0.2 -0.893 28.6-164.9-110.9 127.9 71.0 87.5 51.1 87 105 A Y E -cD 132 92B 8 44,-4.1 46,-2.5 -2,-0.4 2,-0.4 -0.699 5.1-165.8-104.2 155.8 67.6 89.4 50.9 88 106 A L E > S-cD 133 91B 5 3,-2.4 3,-1.1 -2,-0.2 46,-0.2 -0.909 80.9 -9.9-141.4 113.8 65.2 89.8 47.9 89 107 A N T 3 S- 0 0 17 44,-2.7 45,-0.1 -2,-0.4 3,-0.1 0.783 127.7 -56.5 69.5 28.7 62.6 92.5 48.3 90 108 A G T 3 S+ 0 0 13 43,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.442 118.3 103.9 88.2 -1.2 63.2 93.1 52.0 91 109 A L E < S-D 88 0B 5 -3,-1.1 -3,-2.4 191,-0.1 -1,-0.2 -0.938 76.0-109.8-118.0 139.3 62.7 89.5 52.9 92 110 A K E -D 87 0B 28 -2,-0.4 2,-1.8 -5,-0.2 -5,-0.2 -0.381 9.7-144.1 -69.4 133.8 65.3 87.0 53.6 93 111 A L - 0 0 8 -7,-2.5 2,-0.5 -2,-0.2 -7,-0.4 -0.670 32.6-159.4 -89.9 84.2 66.0 84.2 51.2 94 112 A Q + 0 0 14 -2,-1.8 2,-0.2 270,-0.1 -9,-0.1 -0.547 17.1 173.1 -68.9 115.9 66.7 81.9 54.1 95 113 A G - 0 0 5 -2,-0.5 2,-0.3 -11,-0.3 5,-0.2 -0.465 16.0-150.8-110.8-173.2 68.8 78.9 53.1 96 114 A N B > -H 99 0D 22 3,-2.9 3,-2.7 -2,-0.2 -15,-0.0 -0.934 54.3 -30.4-162.2 133.2 70.4 76.0 54.9 97 115 A F T 3 S- 0 0 71 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 -0.239 131.6 -14.9 53.2-139.9 73.4 73.8 54.4 98 116 A Y T 3 S+ 0 0 55 1,-0.1 2,-1.3 -3,-0.1 -1,-0.3 0.612 117.8 99.6 -70.1 2.3 73.9 73.4 50.6 99 117 A N B < +H 96 0D 2 -3,-2.7 -3,-2.9 190,-0.1 2,-0.4 -0.650 45.9 136.2 -94.6 95.4 70.4 74.9 50.0 100 118 A D - 0 0 10 -2,-1.3 2,-0.3 -5,-0.2 -6,-0.1 -0.985 40.5-141.6-139.9 141.2 71.0 78.4 49.2 101 119 A A - 0 0 4 -2,-0.4 2,-0.3 -8,-0.3 -31,-0.2 -0.764 10.9-163.9-112.2 153.0 69.3 80.3 46.4 102 120 A V - 0 0 1 -2,-0.3 2,-0.5 -33,-0.1 -33,-0.0 -0.889 11.1-142.2-131.7 162.5 70.5 82.8 44.0 103 121 A I - 0 0 3 -2,-0.3 -55,-0.3 -33,-0.0 5,-0.1 -0.990 25.5-117.6-123.2 133.2 68.8 85.2 41.7 104 122 A D > - 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