==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 23-OCT-98 1BY5 . COMPND 2 MOLECULE: FERRIC HYDROXAMATE UPTAKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.P.LOCHER,B.REES,R.KOEBNIK,A.MITSCHLER,L.MOULINIER, . 700 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 347 49.6 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 . 7 1.0 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 . 60 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.3 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 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 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 . 4 6 1 3 2 1 3 0 3 2 1 2 2 0 1 1 1 2 1 0 0 1 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 0 0 1 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 18 A Q 0 0 241 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.5 73.3 46.9 40.2 2 19 A E - 0 0 31 1,-0.1 2,-0.3 2,-0.0 6,-0.1 -0.362 360.0-144.8 -63.6 137.0 76.6 46.2 38.4 3 20 A S > - 0 0 47 4,-0.5 3,-1.5 1,-0.1 12,-0.2 -0.811 15.8-131.3-105.2 145.3 79.4 48.7 38.9 4 21 A A T 3 S+ 0 0 1 -2,-0.3 13,-0.4 1,-0.3 -1,-0.1 0.662 112.9 43.5 -66.5 -14.8 81.9 49.6 36.2 5 22 A W T 3 S+ 0 0 67 11,-0.1 -1,-0.3 2,-0.1 106,-0.1 0.244 112.5 61.1-112.8 9.0 84.6 49.1 38.8 6 23 A G S < S- 0 0 14 -3,-1.5 2,-0.1 1,-0.1 -4,-0.0 -0.513 96.8 -58.0-122.0-169.0 83.3 45.9 40.3 7 24 A P - 0 0 85 0, 0.0 -4,-0.5 0, 0.0 2,-0.4 -0.430 48.1-127.0 -74.2 148.7 82.4 42.3 39.2 8 25 A A - 0 0 16 102,-0.2 31,-0.2 -6,-0.1 5,-0.1 -0.835 11.5-131.8 -99.1 133.1 80.0 41.7 36.4 9 26 A A S S+ 0 0 86 -2,-0.4 2,-0.2 3,-0.1 -1,-0.1 0.764 84.4 5.9 -52.7 -31.5 77.0 39.3 37.0 10 27 A T S S- 0 0 35 2,-0.3 29,-0.1 -3,-0.0 30,-0.1 -0.837 92.3 -79.2-143.7-177.5 77.7 37.4 33.8 11 28 A I S S+ 0 0 0 -2,-0.2 2,-0.7 1,-0.1 26,-0.3 0.715 114.2 71.1 -58.3 -21.6 80.0 36.9 30.8 12 29 A A S S- 0 0 5 504,-0.2 -2,-0.3 24,-0.1 2,-0.2 -0.874 73.6-160.0-105.4 110.1 78.3 40.0 29.3 13 30 A A - 0 0 6 -2,-0.7 22,-0.1 22,-0.3 3,-0.1 -0.579 13.2-178.2 -84.0 148.9 79.2 43.3 31.1 14 31 A R + 0 0 64 -2,-0.2 12,-2.8 1,-0.1 2,-0.3 0.518 62.5 65.4-122.3 -15.1 76.9 46.2 30.7 15 32 A Q E +A 25 0A 37 10,-0.3 2,-0.3 -12,-0.2 -12,-0.1 -0.858 55.7 160.4-111.7 147.3 78.8 48.9 32.7 16 33 A S E -A 24 0A 1 8,-1.5 8,-2.0 -2,-0.3 6,-0.2 -0.962 27.4-169.7-163.3 146.8 82.2 50.4 31.9 17 34 A A S > S+ 0 0 9 -13,-0.4 4,-2.2 -2,-0.3 6,-0.1 0.324 70.4 89.4-121.5 4.3 84.2 53.6 32.7 18 35 A T T 4 S+ 0 0 1 1,-0.2 97,-0.1 2,-0.2 5,-0.1 0.912 90.8 44.8 -69.6 -41.4 87.0 53.3 30.3 19 36 A G T 4 S+ 0 0 0 1,-0.1 -1,-0.2 5,-0.1 -2,-0.1 0.758 135.0 11.8 -75.2 -24.2 85.3 55.2 27.5 20 37 A T T 4 S- 0 0 0 2,-0.3 -2,-0.2 -4,-0.1 -1,-0.1 0.577 87.9-123.8-129.2 -14.4 84.0 58.0 29.6 21 38 A K S < S+ 0 0 8 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.706 88.2 90.7 69.7 22.1 85.6 57.9 33.1 22 39 A T S S- 0 0 4 -6,-0.2 2,-1.6 336,-0.0 -2,-0.3 -0.958 99.2 -94.3-139.9 149.3 82.1 57.7 34.5 23 40 A D + 0 0 55 -2,-0.3 -6,-0.2 -3,-0.1 -18,-0.0 -0.546 63.8 168.2 -69.9 93.6 80.1 54.6 35.2 24 41 A T E -A 16 0A 10 -8,-2.0 -8,-1.5 -2,-1.6 -5,-0.1 -0.905 40.5-113.1-115.8 137.1 78.3 54.5 31.9 25 42 A P E > -A 15 0A 33 0, 0.0 3,-2.1 0, 0.0 -10,-0.3 -0.433 33.8-118.5 -64.5 140.0 76.2 51.7 30.3 26 43 A I G > S+ 0 0 8 -12,-2.8 3,-1.3 1,-0.3 5,-0.2 0.751 111.0 62.5 -51.4 -30.4 78.0 50.4 27.2 27 44 A Q G 3 S+ 0 0 36 -13,-0.3 -1,-0.3 1,-0.3 482,-0.1 0.770 100.4 54.6 -68.6 -24.0 75.1 51.4 24.9 28 45 A K G < S+ 0 0 47 -3,-2.1 -1,-0.3 438,-0.1 -2,-0.2 0.262 86.3 98.2 -94.4 13.5 75.6 55.0 25.9 29 46 A V < - 0 0 0 -3,-1.3 2,-1.2 2,-0.1 4,-0.1 -0.898 66.2-147.3-105.0 121.5 79.3 55.0 24.9 30 47 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 433,-0.1 -0.207 74.8 59.1 -80.5 45.4 80.1 56.5 21.4 31 48 A Q S S- 0 0 0 -2,-1.2 2,-0.5 -5,-0.2 -2,-0.1 -0.974 93.7 -84.8-163.1 164.0 83.1 54.1 20.8 32 49 A S + 0 0 0 84,-0.4 84,-2.4 -2,-0.3 2,-0.4 -0.687 47.6 171.8 -82.4 121.3 84.0 50.4 20.6 33 50 A I E -B 115 0B 10 -2,-0.5 2,-0.4 82,-0.2 82,-0.2 -0.995 13.6-165.8-133.7 125.8 84.7 48.9 24.1 34 51 A S E -B 114 0B 1 80,-2.6 80,-2.6 -2,-0.4 2,-0.5 -0.893 4.4-161.1-110.9 142.3 85.2 45.2 24.8 35 52 A V E -B 113 0B 8 -2,-0.4 2,-0.6 78,-0.2 -22,-0.3 -0.970 4.8-165.3-127.5 117.1 85.1 43.8 28.4 36 53 A V E -B 112 0B 2 76,-2.9 76,-1.7 -2,-0.5 2,-0.2 -0.910 22.1-147.5 -99.5 120.1 86.7 40.5 29.2 37 54 A T E > -B 111 0B 4 -2,-0.6 4,-2.4 -26,-0.3 3,-0.3 -0.486 23.3-115.7 -87.8 157.7 85.4 39.5 32.6 38 55 A A H > S+ 0 0 28 72,-1.6 4,-2.5 1,-0.2 5,-0.2 0.887 118.2 58.9 -56.3 -37.5 87.2 37.5 35.3 39 56 A E H > S+ 0 0 82 71,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.900 105.7 45.5 -58.3 -45.8 84.5 34.8 34.7 40 57 A E H >> S+ 0 0 1 -3,-0.3 3,-1.4 1,-0.2 4,-0.9 0.925 111.2 53.6 -66.3 -42.7 85.4 34.5 31.1 41 58 A M H >X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.3 3,-0.9 0.905 100.4 60.4 -58.3 -40.9 89.1 34.3 31.9 42 59 A A H 3< S+ 0 0 36 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.750 97.7 63.4 -58.3 -21.6 88.4 31.5 34.4 43 60 A L H << S+ 0 0 8 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.899 116.5 23.9 -69.4 -41.0 87.1 29.6 31.4 44 61 A H H << S- 0 0 19 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.534 90.0-139.8-104.6 -10.8 90.5 29.6 29.6 45 62 A Q < - 0 0 24 -4,-2.2 2,-0.2 -5,-0.2 -3,-0.1 0.947 28.9-164.6 46.8 65.5 93.0 30.0 32.4 46 63 A P - 0 0 10 0, 0.0 61,-0.1 0, 0.0 -1,-0.1 -0.488 24.6-147.1 -80.6 149.9 95.4 32.4 30.6 47 64 A K S S+ 0 0 23 -2,-0.2 2,-0.3 1,-0.1 60,-0.1 0.642 84.6 26.6 -87.6 -17.5 98.9 33.1 31.7 48 65 A S S > S- 0 0 3 57,-0.1 4,-1.3 1,-0.1 3,-0.2 -0.947 78.5-117.1-142.0 162.1 98.8 36.7 30.5 49 66 A V H > S+ 0 0 0 55,-0.4 4,-0.8 -2,-0.3 -1,-0.1 0.805 115.0 64.6 -68.2 -27.4 96.2 39.3 29.8 50 67 A K H >4 S+ 0 0 4 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.907 101.7 47.0 -60.7 -44.5 97.3 39.0 26.2 51 68 A E H >4 S+ 0 0 39 1,-0.2 3,-1.7 -3,-0.2 -1,-0.2 0.849 104.8 61.1 -67.2 -34.2 96.1 35.5 26.0 52 69 A A H 3< S+ 0 0 7 -4,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.728 98.9 58.0 -65.1 -21.3 92.8 36.5 27.6 53 70 A L T X< S+ 0 0 0 -4,-0.8 3,-2.7 -3,-0.7 -1,-0.3 0.441 70.3 111.7 -89.0 0.7 92.2 38.8 24.6 54 71 A S T < S+ 0 0 24 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.686 83.3 41.8 -45.6 -27.0 92.4 35.9 22.1 55 72 A Y T 3 S+ 0 0 7 -3,-0.5 -1,-0.3 -4,-0.1 543,-0.1 0.413 89.1 110.0-104.9 0.9 88.7 36.3 21.4 56 73 A T X - 0 0 6 -3,-2.7 3,-1.0 1,-0.1 514,-0.1 -0.639 68.6-119.0 -84.0 131.0 88.4 40.1 21.3 57 74 A P T 3 S+ 0 0 1 0, 0.0 515,-0.1 0, 0.0 3,-0.1 -0.267 90.2 17.1 -65.9 149.2 87.8 41.8 17.9 58 75 A G T 3 S+ 0 0 2 1,-0.2 18,-2.2 495,-0.1 2,-0.4 0.622 101.3 108.5 66.0 14.5 90.3 44.2 16.4 59 76 A V E < -F 75 0C 5 -3,-1.0 2,-0.6 16,-0.2 16,-0.2 -0.989 55.7-153.9-127.3 127.8 93.0 43.0 18.6 60 77 A S E +F 74 0C 13 14,-2.8 14,-1.0 -2,-0.4 3,-0.3 -0.886 11.8 179.9-101.3 120.8 96.0 41.0 17.5 61 78 A V + 0 0 37 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.135 65.1 78.2-105.3 21.0 97.5 38.8 20.3 62 79 A G > + 0 0 6 529,-0.2 3,-0.6 1,-0.1 -1,-0.2 0.119 43.9 116.0-118.6 25.2 100.3 37.2 18.2 63 80 A T T 3 S+ 0 0 1 9,-0.3 -1,-0.1 -3,-0.3 613,-0.1 0.533 99.7 20.6 -69.6 -5.0 103.1 39.8 17.8 64 81 A R T > S- 0 0 23 1,-0.3 3,-1.7 -3,-0.2 -1,-0.2 0.202 97.9-144.3-143.0 11.2 105.4 37.5 19.8 65 82 A G T < S- 0 0 13 -3,-0.6 -1,-0.3 1,-0.3 619,-0.2 -0.303 76.8 -1.6 59.8-136.7 103.7 34.1 19.3 66 83 A A T 3 S+ 0 0 15 617,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.660 107.9 106.2 -61.4 -20.1 103.9 31.8 22.4 67 84 A S < - 0 0 4 -3,-1.7 3,-0.2 616,-0.2 -3,-0.1 -0.440 43.6-177.0 -68.0 132.6 106.0 34.4 24.3 68 85 A N + 0 0 16 156,-0.3 -1,-0.1 -2,-0.2 -18,-0.1 0.005 45.3 119.4-115.8 25.8 104.3 36.2 27.2 69 86 A T S S+ 0 0 1 157,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.931 85.0 16.6 -56.2 -47.6 107.2 38.5 28.2 70 87 A Y S S- 0 0 13 -3,-0.2 2,-1.1 2,-0.1 -1,-0.1 -0.928 70.9-129.2-127.3 151.1 105.1 41.6 27.4 71 88 A D + 0 0 2 -2,-0.3 2,-0.4 31,-0.3 15,-0.3 -0.445 49.4 165.2 -91.6 57.1 101.4 42.2 26.9 72 89 A H - 0 0 9 -2,-1.1 -9,-0.3 13,-0.1 2,-0.3 -0.632 12.4-175.9 -78.0 131.8 102.2 44.0 23.6 73 90 A L - 0 0 15 -2,-0.4 2,-0.5 11,-0.2 7,-0.3 -0.890 27.9-148.3-130.2 158.7 99.2 44.4 21.4 74 91 A I E -F 60 0C 13 -14,-1.0 -14,-2.8 -2,-0.3 2,-0.5 -1.000 20.3-168.5-123.3 121.2 98.2 45.7 18.0 75 92 A I E > S-FG 59 78C 11 3,-2.3 3,-1.5 -2,-0.5 -16,-0.2 -0.973 71.6 -16.1-117.7 118.9 94.7 47.2 18.0 76 93 A R T 3 S- 0 0 3 -18,-2.2 -1,-0.2 -2,-0.5 -17,-0.1 0.919 129.8 -50.9 53.1 49.3 93.2 48.0 14.6 77 94 A G T 3 S+ 0 0 11 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.449 117.4 102.7 73.2 1.5 96.6 47.8 12.9 78 95 A F B < +G 75 0C 10 -3,-1.5 -3,-2.3 49,-0.1 2,-0.3 -0.883 39.0 174.0-122.5 153.8 98.4 50.1 15.2 79 96 A A - 0 0 30 -2,-0.3 -5,-0.1 -5,-0.2 6,-0.1 -0.935 43.3 -84.9-144.0 161.3 100.9 49.8 18.1 80 97 A A > - 0 0 16 4,-0.6 3,-0.9 -7,-0.3 4,-0.3 -0.303 56.4 -93.3 -67.1 155.9 102.8 52.3 20.2 81 98 A E T 3 S+ 0 0 53 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 -0.374 105.8 27.3 -69.4 149.1 106.1 53.5 18.8 82 99 A G T 3 S- 0 0 42 617,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.587 125.3 -74.3 78.5 11.0 109.3 51.7 19.8 83 100 A Q S < S+ 0 0 70 -3,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.867 88.6 149.6 69.1 38.5 107.7 48.3 20.5 84 101 A S - 0 0 22 -3,-0.4 -4,-0.6 -4,-0.3 -1,-0.2 -0.724 48.1-113.7-104.1 154.0 106.1 49.5 23.8 85 102 A Q - 0 0 8 -2,-0.3 11,-0.2 -13,-0.1 -13,-0.1 -0.269 13.6-152.5 -73.6 168.6 102.9 48.4 25.5 86 103 A N + 0 0 16 -15,-0.3 46,-1.6 9,-0.1 2,-0.3 -0.514 42.3 147.2-141.7 64.1 100.0 50.9 25.7 87 104 A N E -c 132 0B 5 7,-0.3 7,-2.0 44,-0.2 2,-0.3 -0.785 29.7-163.2-110.0 149.9 98.4 49.5 28.9 88 105 A Y E -cD 133 93B 8 44,-2.8 46,-3.1 -2,-0.3 2,-0.4 -0.903 5.6-155.3-127.6 155.3 96.4 51.1 31.7 89 106 A L E > S-cD 134 92B 8 3,-3.2 3,-2.0 -2,-0.3 46,-0.2 -0.996 79.8 -14.9-133.6 122.7 95.5 49.9 35.2 90 107 A N T 3 S- 0 0 22 44,-3.5 45,-0.1 -2,-0.4 3,-0.1 0.847 129.0 -53.5 52.5 37.4 92.5 51.3 37.0 91 108 A G T 3 S+ 0 0 13 43,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.476 120.1 100.2 79.9 1.5 92.4 54.3 34.6 92 109 A L E < S-D 89 0B 8 -3,-2.0 -3,-3.2 191,-0.1 2,-0.2 -0.962 75.3-112.1-121.0 139.3 96.0 55.3 35.0 93 110 A K E -D 88 0B 32 -2,-0.4 2,-1.6 -5,-0.3 -5,-0.3 -0.467 6.6-139.8 -76.5 138.3 98.7 54.4 32.6 94 111 A L - 0 0 10 -7,-2.0 2,-0.4 -2,-0.2 -7,-0.3 -0.643 31.7-157.6 -89.8 75.6 101.6 52.0 33.3 95 112 A Q + 0 0 18 -2,-1.6 2,-0.2 -9,-0.1 -9,-0.1 -0.434 17.5 178.4 -63.4 114.6 104.0 54.2 31.5 96 113 A G - 0 0 4 -2,-0.4 2,-0.3 -11,-0.2 5,-0.2 -0.495 13.3-154.3-108.1-179.3 106.9 52.0 30.5 97 114 A N B > -H 100 0D 22 3,-2.3 3,-2.4 -2,-0.2 2,-0.3 -0.963 54.2 -31.3-160.6 140.4 110.1 52.7 28.5 98 115 A F T 3 S- 0 0 68 -2,-0.3 -2,-0.1 1,-0.3 272,-0.0 -0.298 130.5 -18.2 50.8-108.4 112.6 50.7 26.4 99 116 A Y T 3 S+ 0 0 48 -2,-0.3 2,-1.6 1,-0.1 -1,-0.3 0.575 116.6 98.9-100.3 -12.9 112.5 47.2 28.0 100 117 A N B < +H 97 0D 1 -3,-2.4 -3,-2.3 190,-0.1 2,-0.4 -0.570 46.7 143.5 -81.4 87.8 111.0 48.4 31.2 101 118 A D - 0 0 5 -2,-1.6 -6,-0.1 -5,-0.2 2,-0.1 -0.994 41.7-133.2-129.3 123.4 107.3 47.6 30.7 102 119 A A - 0 0 2 -2,-0.4 2,-0.3 -8,-0.2 -31,-0.3 -0.330 16.3-160.8 -75.6 157.7 105.1 46.3 33.6 103 120 A V - 0 0 4 -33,-0.1 2,-0.4 -2,-0.1 -33,-0.0 -0.999 5.4-154.3-141.6 136.7 102.8 43.4 33.4 104 121 A I - 0 0 3 -2,-0.3 -55,-0.4 93,-0.0 5,-0.0 -0.955 24.5-120.9-114.4 134.3 99.8 42.4 35.6 105 122 A D > - 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