==== 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 1QFF . COMPND 2 MOLECULE: FERRIC HYDROXAMATE UPTAKE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.D.FERGUSON,E.HOFMANN,J.W.COULTON,K.DIEDERICHS,W.WELTE . 707 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 71.7 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 . 345 48.8 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 . 10 1.4 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 . 57 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.7 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 1 0 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 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 6 1 2 2 1 3 0 2 3 1 2 2 0 0 2 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 19 A E 0 0 98 0, 0.0 2,-0.4 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 123.6 63.5 107.8 41.9 2 20 A S > - 0 0 49 4,-0.6 3,-2.9 1,-0.1 12,-0.1 -0.854 360.0-126.9-105.9 140.2 61.9 105.3 44.3 3 21 A A T 3 S+ 0 0 2 -2,-0.4 13,-0.4 1,-0.3 14,-0.1 0.700 115.2 49.0 -56.0 -18.8 63.9 103.1 46.6 4 22 A W T 3 S+ 0 0 71 11,-0.1 -1,-0.3 2,-0.1 133,-0.1 0.142 115.4 44.1-106.3 16.0 62.0 100.2 45.0 5 23 A G S < S- 0 0 9 -3,-2.9 131,-0.0 1,-0.2 104,-0.0 -0.846 96.0 -43.6-146.6-176.0 62.6 101.2 41.4 6 24 A P - 0 0 84 0, 0.0 -4,-0.6 0, 0.0 2,-0.5 0.015 35.3-147.0 -53.8 156.9 65.1 102.5 38.8 7 25 A A - 0 0 12 -6,-0.1 31,-0.2 2,-0.1 30,-0.1 -0.999 19.2-135.5-124.6 116.0 67.6 105.2 39.5 8 26 A A S S+ 0 0 94 -2,-0.5 2,-0.3 2,-0.0 4,-0.1 0.603 84.4 46.4 -55.7 -8.4 68.1 107.1 36.2 9 27 A T S S- 0 0 33 2,-0.3 29,-0.1 1,-0.1 30,-0.1 -0.935 95.5-101.1-137.1 158.9 71.8 107.1 36.8 10 28 A I S S+ 0 0 6 -2,-0.3 26,-0.6 559,-0.1 2,-0.5 0.791 112.7 61.0 -40.7 -37.2 74.6 104.7 37.8 11 29 A A S S- 0 0 9 515,-0.2 2,-0.4 24,-0.1 -2,-0.3 -0.870 78.6-152.8-102.6 124.1 74.4 106.3 41.2 12 30 A A - 0 0 6 -2,-0.5 22,-0.1 22,-0.4 13,-0.1 -0.760 12.1-167.8 -97.7 140.5 71.1 106.1 43.1 13 31 A R + 0 0 46 -2,-0.4 12,-3.0 11,-0.1 2,-0.4 0.727 69.8 66.0 -95.2 -27.8 70.0 108.7 45.6 14 32 A Q E +A 24 0A 40 10,-0.3 2,-0.3 -12,-0.1 -12,-0.1 -0.816 53.3 159.4-105.6 138.2 67.1 106.7 47.2 15 33 A S E -A 23 0A 3 8,-2.2 8,-1.5 -2,-0.4 6,-0.2 -0.983 20.1-175.9-153.2 141.0 67.2 103.5 49.2 16 34 A A > + 0 0 6 -13,-0.4 4,-1.1 -2,-0.3 6,-0.1 0.322 66.6 87.5-120.7 8.3 64.8 101.8 51.6 17 35 A T T 4 S+ 0 0 6 1,-0.2 -1,-0.1 2,-0.2 97,-0.1 0.414 89.4 49.6 -90.9 4.9 66.8 98.8 52.9 18 36 A G T 4 S+ 0 0 2 3,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.620 129.7 15.5-111.6 -19.8 68.5 100.6 55.7 19 37 A T T 4 S- 0 0 0 2,-0.2 -2,-0.2 -4,-0.1 -3,-0.1 0.336 95.3-121.8-132.8 -1.9 65.5 102.3 57.3 20 38 A K S < S+ 0 0 11 -4,-1.1 2,-0.3 1,-0.1 -3,-0.1 0.715 88.2 87.1 61.5 22.3 62.6 100.3 55.7 21 39 A T S S- 0 0 2 -6,-0.2 2,-0.3 -5,-0.1 -2,-0.2 -0.977 97.5 -90.5-150.2 136.3 61.3 103.6 54.4 22 40 A D + 0 0 59 -2,-0.3 -6,-0.2 -3,-0.1 -8,-0.0 -0.276 64.1 161.6 -50.2 106.8 62.1 105.4 51.2 23 41 A T E -A 15 0A 7 -8,-1.5 -8,-2.2 -2,-0.3 2,-0.3 -0.981 45.3-109.2-135.6 142.1 65.0 107.7 52.3 24 42 A P E > -A 14 0A 23 0, 0.0 3,-2.4 0, 0.0 -10,-0.3 -0.549 35.4-121.2 -71.7 133.3 67.8 109.6 50.5 25 43 A I G > S+ 0 0 14 -12,-3.0 3,-2.0 1,-0.3 5,-0.2 0.783 111.4 59.5 -40.9 -41.8 71.1 107.8 51.2 26 44 A Q G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -13,-0.3 493,-0.1 0.839 101.3 57.1 -59.8 -32.1 72.7 110.9 52.7 27 45 A K G < S+ 0 0 50 -3,-2.4 -1,-0.3 2,-0.0 -2,-0.2 0.203 88.8 98.1 -83.8 15.2 69.9 110.8 55.3 28 46 A V < - 0 0 4 -3,-2.0 4,-0.1 2,-0.1 447,-0.1 -0.930 65.7-148.4-114.6 122.1 70.8 107.3 56.3 29 47 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 446,-0.1 0.260 76.3 65.5 -64.4 8.5 73.0 106.6 59.4 30 48 A Q S S- 0 0 0 -5,-0.2 2,-0.6 444,-0.1 -2,-0.1 -0.975 92.0 -95.3-140.3 153.8 74.6 103.5 57.9 31 49 A S + 0 0 2 -2,-0.3 84,-2.3 84,-0.2 2,-0.4 -0.495 49.8 170.6 -65.5 110.4 76.9 102.4 55.0 32 50 A I E -B 114 0B 15 -2,-0.6 2,-0.3 82,-0.2 82,-0.2 -0.984 14.7-165.3-129.6 123.0 74.6 101.4 52.2 33 51 A S E -B 113 0B 2 80,-2.6 80,-2.2 -2,-0.4 2,-0.4 -0.822 2.6-162.0-105.7 145.7 75.7 100.6 48.7 34 52 A V E -B 112 0B 9 -2,-0.3 2,-0.7 78,-0.2 -22,-0.4 -0.933 5.9-162.0-134.6 111.9 73.4 100.4 45.7 35 53 A V E -B 111 0B 1 76,-2.5 76,-1.9 -2,-0.4 -24,-0.1 -0.826 22.9-141.2 -92.8 116.9 74.3 98.7 42.4 36 54 A T E > -B 110 0B 5 -2,-0.7 4,-1.5 -26,-0.6 74,-0.2 -0.285 19.3-118.7 -72.3 160.3 71.9 99.9 39.7 37 55 A A H > S+ 0 0 35 72,-1.1 4,-2.5 1,-0.2 5,-0.1 0.813 116.9 62.7 -68.4 -28.2 70.5 97.6 37.0 38 56 A E H 4 S+ 0 0 86 2,-0.2 -1,-0.2 1,-0.2 -28,-0.1 0.931 101.0 49.7 -60.1 -47.5 72.3 100.0 34.6 39 57 A E H >> S+ 0 0 7 1,-0.2 3,-1.2 2,-0.2 4,-0.9 0.907 112.6 47.3 -59.0 -42.9 75.7 99.0 36.1 40 58 A X H 3X S+ 0 0 13 -4,-1.5 4,-1.7 1,-0.3 3,-0.5 0.861 105.1 58.1 -67.5 -35.7 74.8 95.3 35.8 41 59 A A H 3< S+ 0 0 42 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.310 105.1 58.3 -75.6 12.6 73.7 95.9 32.2 42 60 A L H <4 S+ 0 0 14 -3,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.697 117.6 22.7-111.2 -34.4 77.2 97.2 31.8 43 61 A H H < S- 0 0 26 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.1 0.396 90.3-136.9-113.8 -1.5 79.3 94.2 32.8 44 62 A Q < - 0 0 32 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.885 32.1-154.5 45.3 45.8 76.6 91.5 32.1 45 63 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 -0.086 18.9-136.0 -52.1 149.0 77.6 89.8 35.4 46 64 A K S S+ 0 0 43 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.738 83.2 4.0 -76.9 -26.2 76.9 86.1 35.8 47 65 A S S > S- 0 0 3 57,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.953 73.7-104.0-153.1 170.8 75.6 86.7 39.3 48 66 A V T 4 S+ 0 0 0 55,-0.4 4,-0.3 -2,-0.3 -1,-0.1 0.829 123.6 59.4 -66.0 -31.5 74.6 89.2 42.0 49 67 A K T >4 S+ 0 0 4 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.988 108.2 43.3 -57.2 -58.7 77.9 88.0 43.6 50 68 A E G >4 S+ 0 0 51 1,-0.3 3,-1.6 2,-0.1 -2,-0.2 0.872 103.7 65.7 -51.7 -46.1 79.7 89.1 40.4 51 69 A A G 3< S+ 0 0 9 -4,-2.6 -1,-0.3 1,-0.3 3,-0.2 0.521 95.3 61.6 -58.9 -5.7 77.7 92.4 40.3 52 70 A L G X + 0 0 1 -3,-2.0 3,-0.8 -4,-0.3 -1,-0.3 0.046 65.3 110.7-111.3 25.6 79.3 93.4 43.5 53 71 A S T < S+ 0 0 27 -3,-1.6 -1,-0.1 1,-0.2 -2,-0.1 0.773 83.2 42.6 -70.0 -27.4 83.0 93.5 42.4 54 72 A Y T 3 S+ 0 0 7 -3,-0.2 -1,-0.2 576,-0.1 554,-0.2 0.309 91.4 104.0-101.6 6.6 83.2 97.3 42.6 55 73 A T S X S- 0 0 4 -3,-0.8 3,-1.0 3,-0.1 525,-0.1 -0.799 70.8-122.6 -96.4 126.0 81.4 97.7 45.9 56 74 A P T 3 S+ 0 0 2 0, 0.0 508,-0.1 0, 0.0 526,-0.1 -0.243 88.6 27.0 -65.1 147.9 83.5 98.3 49.1 57 75 A G T 3 S+ 0 0 1 1,-0.2 18,-2.4 506,-0.1 2,-0.5 0.484 99.2 104.3 81.4 2.7 83.4 96.1 52.2 58 76 A V E < -F 74 0C 7 -3,-1.0 2,-0.3 16,-0.2 16,-0.2 -0.960 51.1-163.9-125.9 123.5 82.5 93.1 50.1 59 77 A S E +F 73 0C 11 14,-2.4 14,-1.2 -2,-0.5 3,-0.1 -0.761 8.0 179.1 -95.4 146.9 84.7 90.2 49.1 60 78 A V + 0 0 33 -2,-0.3 3,-0.2 12,-0.2 -1,-0.1 0.115 62.5 77.9-137.4 22.5 83.3 88.0 46.3 61 79 A G > + 0 0 15 540,-0.2 3,-0.7 1,-0.1 631,-0.1 0.060 46.6 122.7-119.2 22.4 86.0 85.4 45.7 62 80 A T T 3 S+ 0 0 5 9,-0.3 -1,-0.1 1,-0.3 10,-0.1 0.636 97.7 19.9 -58.9 -9.8 85.2 83.2 48.7 63 81 A R T > S- 0 0 21 1,-0.2 3,-1.6 3,-0.2 -1,-0.3 0.235 99.0-147.9-141.2 7.6 84.7 80.5 46.0 64 82 A G T < S+ 0 0 12 -3,-0.7 630,-0.2 1,-0.3 -1,-0.2 -0.223 76.3 2.5 56.9-144.1 86.6 81.9 43.1 65 83 A A T 3 S+ 0 0 14 628,-2.0 -1,-0.3 -4,-0.1 629,-0.1 0.705 108.5 104.6 -45.6 -28.9 85.3 81.0 39.6 66 84 A S < + 0 0 6 -3,-1.6 -3,-0.2 627,-0.2 160,-0.1 -0.272 42.5 179.3 -61.1 141.6 82.3 79.1 41.2 67 85 A N + 0 0 16 156,-0.3 -1,-0.1 158,-0.2 -18,-0.1 0.095 44.1 118.3-128.5 19.8 78.9 80.8 41.1 68 86 A T S S+ 0 0 2 157,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.831 85.9 17.6 -56.0 -33.4 76.9 78.1 42.9 69 87 A Y - 0 0 10 2,-0.1 2,-1.7 -3,-0.1 -1,-0.1 -0.997 68.8-129.4-143.7 146.1 76.0 80.5 45.6 70 88 A D + 0 0 4 -2,-0.3 2,-0.7 31,-0.2 15,-0.4 -0.550 49.2 163.5 -90.8 67.2 76.1 84.3 46.2 71 89 A H - 0 0 13 -2,-1.7 -9,-0.3 13,-0.1 2,-0.3 -0.819 13.8-176.4 -91.6 114.9 78.0 83.7 49.4 72 90 A L - 0 0 12 -2,-0.7 2,-0.6 -11,-0.1 7,-0.3 -0.791 26.8-143.9-115.4 154.5 79.7 87.0 50.5 73 91 A I E -F 59 0C 16 -14,-1.2 -14,-2.4 -2,-0.3 2,-0.5 -0.979 24.1-167.2-113.5 120.4 81.9 88.1 53.2 74 92 A I E > -FG 58 77C 8 3,-2.9 3,-2.6 -2,-0.6 -16,-0.2 -0.943 68.2 -15.0-114.4 127.2 81.0 91.6 54.4 75 93 A R T 3 S- 0 0 1 -18,-2.4 -1,-0.2 -2,-0.5 -17,-0.1 0.841 130.9 -53.1 53.0 33.9 83.3 93.7 56.6 76 94 A G T 3 S+ 0 0 12 -19,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.439 119.9 99.7 84.0 -0.7 85.2 90.5 57.4 77 95 A F B < +G 74 0C 10 -3,-2.6 -3,-2.9 51,-0.4 2,-0.3 -0.847 40.0 172.5-123.3 159.4 82.1 88.5 58.4 78 96 A A - 0 0 24 -2,-0.3 -5,-0.1 -5,-0.2 6,-0.1 -0.961 45.2 -75.4-152.3 162.7 79.6 85.9 57.0 79 97 A A > - 0 0 12 4,-0.6 3,-0.5 -2,-0.3 4,-0.4 -0.286 59.7 -98.6 -60.8 148.6 76.8 83.8 58.2 80 98 A E T 3 S+ 0 0 78 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 -0.390 103.7 29.5 -69.5 146.8 77.9 80.7 60.3 81 99 A G T 3 S- 0 0 74 1,-0.2 -1,-0.2 -3,-0.1 16,-0.1 0.836 126.8 -72.2 75.2 35.0 78.0 77.4 58.4 82 100 A Q S < S+ 0 0 76 -3,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.806 91.1 151.7 50.1 32.6 78.9 78.7 54.9 83 101 A S - 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