==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TONB DEPENDENT RECEPTOR 18-JUL-99 1QKC . COMPND 2 MOLECULE: FERRIC HYDROXAMATE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.D.FERGUSON,V.BRAUN,H.-P.FIEDLER,J.W.COULTON,K.DIEDERICHS, . 707 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 70.4 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 . 340 48.1 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 . 6 0.8 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 . 2 0.3 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 . 48 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 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 . 10 4 2 5 0 2 3 0 1 2 1 2 2 0 1 2 1 1 1 0 0 0 1 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 0 0 0 0 1 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 96 0, 0.0 2,-0.4 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 135.1 63.8 108.5 42.3 2 20 A S > - 0 0 52 4,-0.2 3,-3.1 1,-0.1 12,-0.1 -0.937 360.0-132.1-114.8 132.4 62.1 105.6 44.3 3 21 A A T 3 S+ 0 0 2 -2,-0.4 13,-0.3 1,-0.3 14,-0.1 0.808 112.8 48.9 -48.7 -30.0 63.9 103.2 46.6 4 22 A W T 3 S+ 0 0 60 11,-0.1 -1,-0.3 12,-0.1 133,-0.1 0.214 113.6 48.3 -96.5 13.9 61.9 100.5 44.8 5 23 A G S < S- 0 0 11 -3,-3.1 129,-0.0 1,-0.3 104,-0.0 -0.640 94.7 -58.5-137.4-169.0 62.7 101.7 41.2 6 24 A P - 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -4,-0.2 0.599 35.8-145.7 -52.8-148.1 65.5 102.8 38.8 7 25 A A - 0 0 8 -6,-0.1 2,-2.3 5,-0.1 4,-0.2 0.415 22.1-125.9-171.2 3.4 67.8 105.8 39.4 8 26 A A S S+ 0 0 90 2,-0.1 2,-0.2 4,-0.1 4,-0.1 -0.461 91.8 30.7 76.0 -73.4 68.8 107.7 36.3 9 27 A T S S- 0 0 24 -2,-2.3 29,-0.1 2,-0.5 561,-0.1 -0.665 100.1 -96.9-108.9 169.4 72.5 107.5 36.8 10 28 A I S S+ 0 0 5 559,-0.2 2,-0.7 -2,-0.2 26,-0.2 0.310 108.7 91.5 -67.3 11.9 74.5 104.8 38.6 11 29 A A - 0 0 6 -4,-0.2 2,-0.6 515,-0.1 -2,-0.5 -0.892 65.1-168.4-111.8 95.3 74.2 107.3 41.5 12 30 A A - 0 0 7 -2,-0.7 22,-0.1 22,-0.3 -5,-0.1 -0.791 12.4-174.7 -91.3 125.0 71.0 106.4 43.4 13 31 A R + 0 0 37 -2,-0.6 12,-3.5 -6,-0.2 2,-0.5 0.787 67.6 61.4 -86.1 -32.9 70.0 109.1 45.8 14 32 A Q E +A 24 0A 38 10,-0.2 2,-0.3 11,-0.1 -1,-0.1 -0.861 55.5 159.6-107.8 130.0 67.1 107.1 47.3 15 33 A S E -A 23 0A 2 8,-1.8 8,-1.0 -2,-0.5 4,-0.2 -0.999 22.9-170.7-143.9 142.0 67.3 103.7 49.2 16 34 A A S > S+ 0 0 9 -2,-0.3 4,-1.9 -13,-0.3 3,-0.4 0.566 70.2 91.1-106.1 -13.3 64.9 102.0 51.6 17 35 A T T 4 S+ 0 0 5 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.302 89.3 49.2 -66.6 9.5 67.2 99.1 52.6 18 36 A G T 4 S+ 0 0 0 3,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.706 128.5 9.4-117.0 -36.6 68.5 101.2 55.5 19 37 A T T 4 S- 0 0 0 -3,-0.4 -2,-0.2 2,-0.4 3,-0.1 0.269 93.5-117.6-129.6 3.9 65.5 102.6 57.4 20 38 A K S < S+ 0 0 9 -4,-1.9 2,-0.4 1,-0.2 -3,-0.1 0.464 90.6 92.0 71.7 1.7 62.8 100.8 55.7 21 39 A T S S- 0 0 4 -6,-0.2 -2,-0.4 -5,-0.2 -3,-0.2 -0.982 93.4 -97.8-129.2 142.8 61.4 104.0 54.5 22 40 A D + 0 0 56 -2,-0.4 -6,-0.2 -3,-0.1 -8,-0.1 -0.405 63.6 153.9 -57.6 117.7 62.3 105.7 51.2 23 41 A T E -A 15 0A 14 -8,-1.0 -8,-1.8 -2,-0.2 5,-0.1 -0.998 50.3 -90.1-152.2 149.9 65.1 108.2 52.1 24 42 A P E > -A 14 0A 17 0, 0.0 3,-0.7 0, 0.0 4,-0.3 -0.312 36.8-127.8 -58.8 139.2 68.0 110.1 50.7 25 43 A I G > S+ 0 0 18 -12,-3.5 3,-0.8 1,-0.3 5,-0.2 0.792 110.8 57.7 -60.3 -23.8 71.2 108.1 51.1 26 44 A Q G 3 S+ 0 0 30 -13,-0.3 -1,-0.3 1,-0.3 493,-0.1 0.857 102.6 52.5 -74.4 -32.6 72.7 111.2 52.7 27 45 A K G < S+ 0 0 50 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.450 91.3 98.4 -81.3 2.8 70.0 111.2 55.3 28 46 A V < - 0 0 3 -3,-0.8 4,-0.2 -4,-0.3 447,-0.1 -0.844 66.0-151.8-100.8 118.9 70.8 107.6 56.0 29 47 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 446,-0.1 0.166 70.0 66.3 -67.7 9.8 73.1 107.1 59.1 30 48 A Q S S- 0 0 0 -5,-0.2 2,-1.0 444,-0.1 86,-0.1 -0.930 94.6 -86.9-136.3 162.9 74.6 103.9 57.9 31 49 A S + 0 0 1 84,-0.5 84,-2.3 -2,-0.3 2,-0.4 -0.521 54.2 167.7 -70.0 97.4 76.9 102.6 55.1 32 50 A I E -B 114 0B 13 -2,-1.0 2,-0.4 82,-0.2 82,-0.2 -0.915 14.1-172.7-116.5 141.6 74.7 101.8 52.1 33 51 A S E -B 113 0B 2 80,-1.6 80,-1.8 -2,-0.4 2,-0.4 -0.963 6.8-158.0-125.6 140.0 75.8 101.1 48.6 34 52 A V E -B 112 0B 12 -2,-0.4 2,-0.6 78,-0.2 -22,-0.3 -0.972 5.4-160.1-130.2 125.8 73.6 100.7 45.6 35 53 A V E -B 111 0B 1 76,-2.3 76,-2.4 -2,-0.4 -24,-0.1 -0.912 25.2-139.8-101.6 119.2 74.4 98.9 42.3 36 54 A T > - 0 0 7 -2,-0.6 4,-1.7 74,-0.2 74,-0.2 -0.220 20.9-117.7 -76.0 164.8 72.1 100.1 39.6 37 55 A A H > S+ 0 0 27 72,-0.4 4,-2.6 2,-0.2 73,-0.1 0.820 121.8 54.9 -69.7 -28.2 70.5 98.0 36.9 38 56 A E H 4 S+ 0 0 77 2,-0.2 -1,-0.2 1,-0.2 -28,-0.1 0.963 103.6 49.7 -66.9 -56.6 72.6 100.3 34.7 39 57 A E H >> S+ 0 0 8 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.861 115.0 47.5 -52.2 -36.5 75.9 99.5 36.4 40 58 A M H >X S+ 0 0 10 -4,-1.7 4,-2.2 1,-0.2 3,-1.1 0.904 102.5 58.7 -71.9 -46.6 75.0 95.8 36.0 41 59 A A H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.204 103.0 62.3 -69.7 21.8 74.0 96.1 32.3 42 60 A L H <4 S+ 0 0 10 -3,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.653 115.1 23.3-115.1 -33.8 77.6 97.3 31.9 43 61 A H H << S- 0 0 30 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.524 93.6-133.9-110.9 -9.6 79.6 94.3 33.0 44 62 A Q < - 0 0 33 -4,-2.2 -3,-0.1 -5,-0.1 -4,-0.1 0.964 31.3-149.1 53.0 56.6 76.9 91.7 32.3 45 63 A P - 0 0 19 0, 0.0 61,-0.1 0, 0.0 3,-0.1 -0.100 15.4-146.3 -54.4 156.1 77.5 90.0 35.8 46 64 A K S S+ 0 0 34 1,-0.3 2,-0.3 59,-0.1 60,-0.1 0.746 82.5 13.2 -93.6 -34.1 76.9 86.4 36.0 47 65 A S S > S- 0 0 4 57,-0.1 4,-2.0 1,-0.1 -1,-0.3 -0.924 77.3-110.1-138.5 162.2 75.7 86.7 39.6 48 66 A V T 4 S+ 0 0 1 55,-0.5 -1,-0.1 -2,-0.3 56,-0.1 0.828 121.6 62.8 -56.4 -28.4 74.6 89.4 42.0 49 67 A K T >4 S+ 0 0 6 1,-0.2 3,-2.5 2,-0.2 -1,-0.2 0.993 103.8 40.4 -59.2 -71.6 77.9 88.3 43.5 50 68 A E T 34 S+ 0 0 58 1,-0.3 -1,-0.2 10,-0.1 -2,-0.2 0.750 101.3 73.7 -47.2 -30.9 80.1 89.4 40.6 51 69 A A T 3< S+ 0 0 9 -4,-2.0 2,-0.5 1,-0.2 -1,-0.3 0.494 90.7 68.3 -65.1 -1.7 77.9 92.5 40.3 52 70 A L < + 0 0 0 -3,-2.5 -1,-0.2 -5,-0.2 -4,-0.0 -0.739 57.2 104.3-123.7 83.1 79.8 93.6 43.4 53 71 A S S S+ 0 0 31 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.1 0.518 81.4 52.7-129.1 -21.0 83.5 94.3 42.7 54 72 A Y S S+ 0 0 8 -3,-0.2 554,-0.1 576,-0.1 525,-0.1 0.001 89.7 103.1-103.7 24.3 83.3 98.1 42.7 55 73 A T S > S- 0 0 5 3,-0.2 3,-1.1 525,-0.1 525,-0.1 -0.905 72.8-129.0-113.5 113.2 81.7 97.9 46.1 56 74 A P T 3 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 508,-0.1 -0.237 86.8 25.6 -58.6 139.2 83.8 98.7 49.1 57 75 A G T 3 S+ 0 0 2 1,-0.2 18,-2.4 506,-0.1 2,-0.4 0.645 98.2 103.8 88.3 11.7 83.8 96.3 52.0 58 76 A V E < -F 74 0C 8 -3,-1.1 2,-0.3 16,-0.2 -1,-0.2 -0.986 47.3-165.3-135.7 132.4 82.9 93.2 50.0 59 77 A S E +F 73 0C 10 14,-1.4 14,-0.8 -2,-0.4 543,-0.0 -0.684 8.8 175.2-101.2 164.1 84.9 90.2 48.8 60 78 A V + 0 0 32 -2,-0.3 3,-0.2 12,-0.2 -1,-0.1 0.341 64.8 77.5-148.2 -2.2 83.4 87.9 46.2 61 79 A G > + 0 0 13 1,-0.2 3,-2.2 622,-0.2 631,-0.1 0.108 50.1 121.5 -99.1 17.3 86.2 85.5 45.4 62 80 A T T 3 S+ 0 0 4 1,-0.3 -1,-0.2 9,-0.2 10,-0.1 0.491 93.2 26.1 -60.3 6.6 85.6 83.6 48.5 63 81 A R T > S- 0 0 23 1,-0.3 3,-2.1 -3,-0.2 -1,-0.3 0.062 103.2-137.5-154.7 23.9 85.1 80.8 46.0 64 82 A G T < S- 0 0 11 -3,-2.2 -1,-0.3 1,-0.3 630,-0.2 -0.153 75.6 -9.2 51.6-138.8 87.1 81.8 43.1 65 83 A A T 3 S+ 0 0 12 628,-1.8 -1,-0.3 629,-0.2 2,-0.2 0.463 107.3 109.4 -71.4 -2.5 85.5 81.3 39.8 66 84 A S < - 0 0 6 -3,-2.1 3,-0.1 1,-0.1 -3,-0.1 -0.508 42.5-175.4 -78.7 142.5 82.6 79.3 41.1 67 85 A N + 0 0 23 156,-0.3 -1,-0.1 -2,-0.2 -18,-0.1 0.289 46.0 116.0-119.7 11.2 79.1 80.8 41.2 68 86 A T S S+ 0 0 0 157,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.858 85.0 27.8 -48.2 -39.0 77.0 78.2 43.0 69 87 A Y - 0 0 10 -3,-0.1 2,-1.4 2,-0.1 -1,-0.1 -0.968 65.1-138.5-133.3 148.0 76.4 80.6 45.7 70 88 A D + 0 0 3 -2,-0.4 2,-0.6 31,-0.3 15,-0.3 -0.401 50.2 158.2 -92.3 55.1 76.2 84.4 46.2 71 89 A H - 0 0 14 -2,-1.4 2,-0.3 13,-0.1 -9,-0.2 -0.737 18.8-173.4 -82.7 122.1 78.1 83.9 49.4 72 90 A L - 0 0 15 -2,-0.6 2,-0.6 -11,-0.1 7,-0.3 -0.826 27.8-142.0-118.4 155.8 79.8 87.1 50.4 73 91 A I E -F 59 0C 18 -14,-0.8 -14,-1.4 -2,-0.3 2,-0.5 -0.877 26.5-172.1-116.4 97.8 82.2 88.3 53.0 74 92 A I E > -FG 58 77C 10 3,-1.3 3,-1.7 -2,-0.6 -16,-0.2 -0.785 69.8 -13.8 -91.6 120.7 81.1 91.8 54.1 75 93 A R T 3 S- 0 0 1 -18,-2.4 -1,-0.2 -2,-0.5 -17,-0.1 0.845 127.4 -58.7 60.2 29.8 83.4 93.8 56.4 76 94 A G T 3 S+ 0 0 11 -3,-0.5 2,-0.3 -19,-0.3 -1,-0.3 0.585 118.8 99.7 75.5 6.4 85.3 90.6 57.2 77 95 A F B < +G 74 0C 10 -3,-1.7 -3,-1.3 51,-0.3 2,-0.3 -0.873 41.3 167.1-123.7 158.5 82.3 88.8 58.5 78 96 A A - 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