==== 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 29-JUN-99 1QJQ . 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) . 27748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 72.4 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 . 348 49.2 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 . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 9.5 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 . 15 2.1 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 2 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 . 7 3 1 1 3 2 4 0 3 1 1 2 2 0 1 1 1 2 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 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 97 0, 0.0 2,-0.4 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 126.7 64.2 108.2 42.1 2 20 A S > - 0 0 50 4,-0.5 3,-3.6 1,-0.1 14,-0.1 -0.925 360.0-126.1-111.1 133.0 62.6 105.7 44.4 3 21 A A T 3 S+ 0 0 1 -2,-0.4 13,-0.3 1,-0.3 -1,-0.1 0.767 115.7 50.3 -43.4 -28.7 64.7 103.4 46.6 4 22 A W T 3 S+ 0 0 75 11,-0.1 -1,-0.3 12,-0.1 133,-0.1 0.080 112.8 49.0 -99.9 21.6 62.7 100.6 44.9 5 23 A G S < S- 0 0 8 -3,-3.6 129,-0.0 1,-0.3 131,-0.0 -0.739 95.3 -49.1-142.9-169.0 63.3 101.7 41.3 6 24 A P - 0 0 93 0, 0.0 -4,-0.5 0, 0.0 -1,-0.3 0.021 34.7-147.9 -58.5 173.0 65.9 102.9 38.7 7 25 A A - 0 0 9 -6,-0.1 2,-1.7 5,-0.1 6,-0.2 0.493 16.3-141.7-124.3 -10.2 68.5 105.6 39.5 8 26 A A S S+ 0 0 91 2,-0.1 2,-0.3 4,-0.1 4,-0.1 -0.096 83.0 50.2 74.2 -40.5 69.0 107.3 36.1 9 27 A T S S- 0 0 34 -2,-1.7 29,-0.1 2,-0.5 30,-0.1 -0.856 97.6-105.4-126.2 161.9 72.7 107.6 36.9 10 28 A I S S+ 0 0 4 -2,-0.3 2,-0.6 559,-0.2 26,-0.4 0.704 109.1 76.6 -55.8 -19.7 75.3 105.2 38.1 11 29 A A S S- 0 0 5 515,-0.2 2,-0.5 -4,-0.1 -2,-0.5 -0.856 73.4-156.3-100.2 123.1 74.8 107.1 41.3 12 30 A A - 0 0 8 -2,-0.6 -5,-0.1 22,-0.3 13,-0.1 -0.870 11.5-176.2-100.3 125.7 71.7 106.3 43.3 13 31 A R + 0 0 46 -2,-0.5 12,-3.3 -6,-0.2 2,-0.3 0.784 67.8 59.5 -88.9 -31.6 70.5 109.0 45.7 14 32 A Q E +A 24 0A 41 10,-0.3 2,-0.3 11,-0.1 -12,-0.1 -0.786 56.1 155.8-106.3 144.9 67.7 107.0 47.2 15 33 A S E -A 23 0A 1 8,-2.0 8,-1.8 -2,-0.3 -12,-0.2 -0.974 21.8-171.9-157.7 152.0 67.8 103.7 49.1 16 34 A A > + 0 0 6 -13,-0.3 4,-1.6 -2,-0.3 3,-0.2 0.368 67.9 88.6-131.1 3.5 65.6 102.0 51.6 17 35 A T T 4 S+ 0 0 4 1,-0.2 5,-0.1 2,-0.2 97,-0.1 0.663 90.0 53.0 -78.5 -11.5 67.6 99.0 52.8 18 36 A G T 4 S+ 0 0 1 3,-0.2 -1,-0.2 5,-0.1 -2,-0.1 0.734 129.9 9.7 -94.3 -22.7 69.3 101.0 55.5 19 37 A T T 4 S- 0 0 0 2,-0.3 -2,-0.2 -3,-0.2 3,-0.1 0.262 92.8-121.3-137.6 5.3 66.2 102.5 57.2 20 38 A K S < S+ 0 0 11 -4,-1.6 2,-0.3 1,-0.1 -3,-0.1 0.646 88.4 88.3 57.5 17.5 63.4 100.6 55.6 21 39 A T S S- 0 0 2 -6,-0.2 2,-1.0 -5,-0.1 -2,-0.3 -0.985 98.5 -91.7-139.7 145.7 61.9 103.9 54.5 22 40 A D + 0 0 58 -2,-0.3 -6,-0.2 -3,-0.1 -8,-0.0 -0.438 65.2 160.3 -62.8 101.6 62.6 105.7 51.3 23 41 A T E -A 15 0A 9 -8,-1.8 -8,-2.0 -2,-1.0 2,-0.3 -0.917 44.8-108.7-125.2 148.5 65.5 107.9 52.5 24 42 A P E > -A 14 0A 23 0, 0.0 3,-2.6 0, 0.0 4,-0.4 -0.632 34.0-118.6 -79.0 136.4 68.2 109.8 50.6 25 43 A I G > S+ 0 0 11 -12,-3.3 3,-2.7 -2,-0.3 5,-0.2 0.811 111.1 59.7 -37.5 -51.1 71.6 108.2 51.1 26 44 A Q G 3 S+ 0 0 24 1,-0.3 -1,-0.3 -13,-0.2 493,-0.1 0.789 103.3 54.3 -53.7 -29.2 73.2 111.2 52.7 27 45 A K G < S+ 0 0 52 -3,-2.6 -1,-0.3 2,-0.0 -2,-0.2 0.471 86.3 100.8 -85.7 -1.0 70.5 111.0 55.4 28 46 A V < - 0 0 2 -3,-2.7 2,-0.2 -4,-0.4 4,-0.1 -0.774 65.7-148.1 -93.1 120.7 71.4 107.4 56.2 29 47 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 446,-0.1 0.140 74.9 67.8 -67.9 18.7 73.5 106.9 59.4 30 48 A Q S S- 0 0 0 -5,-0.2 2,-0.6 -2,-0.2 -2,-0.1 -0.990 93.5 -93.5-145.2 153.4 75.2 103.9 57.9 31 49 A S + 0 0 3 -2,-0.3 84,-2.2 84,-0.3 2,-0.4 -0.499 52.0 171.2 -65.4 111.1 77.6 102.8 55.1 32 50 A I E -B 114 0B 15 -2,-0.6 2,-0.3 82,-0.2 82,-0.2 -0.993 14.1-168.4-128.9 130.2 75.3 101.9 52.2 33 51 A S E -B 113 0B 2 80,-2.1 80,-1.8 -2,-0.4 2,-0.4 -0.829 3.6-160.8-113.1 153.6 76.4 101.1 48.7 34 52 A V E -B 112 0B 8 -2,-0.3 2,-0.7 78,-0.2 -22,-0.3 -0.962 8.1-166.1-141.8 121.6 74.2 100.7 45.7 35 53 A V E -B 111 0B 2 76,-2.4 76,-2.4 -2,-0.4 -24,-0.1 -0.930 24.6-150.1-105.9 108.3 75.0 99.0 42.4 36 54 A T E > -B 110 0B 6 -2,-0.7 4,-2.0 -26,-0.4 74,-0.2 -0.183 27.6-106.7 -74.7 169.0 72.4 100.1 39.9 37 55 A A H > S+ 0 0 38 72,-1.2 4,-3.4 2,-0.2 5,-0.2 0.901 120.8 59.5 -60.7 -40.7 71.1 98.1 36.9 38 56 A E H 4 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.2 -28,-0.1 0.961 105.2 45.5 -52.9 -59.4 73.1 100.5 34.8 39 57 A E H >> S+ 0 0 6 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.893 115.3 48.1 -53.6 -42.9 76.4 99.6 36.4 40 58 A M H >X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.3 3,-0.7 0.923 106.2 55.2 -64.6 -44.4 75.6 95.9 36.2 41 59 A A H 3< S+ 0 0 50 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.378 103.5 64.6 -69.4 8.8 74.5 96.2 32.5 42 60 A L H <4 S+ 0 0 16 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.817 114.8 20.6 -99.7 -40.5 78.0 97.6 32.2 43 61 A H H << S- 0 0 29 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.1 0.531 92.9-133.4-105.9 -9.7 80.2 94.6 33.1 44 62 A Q < - 0 0 29 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.1 0.959 31.0-153.1 55.9 54.4 77.6 91.9 32.5 45 63 A P - 0 0 19 0, 0.0 61,-0.1 0, 0.0 3,-0.1 -0.129 17.7-140.6 -57.8 156.8 78.4 90.1 35.7 46 64 A K S S+ 0 0 33 1,-0.3 2,-0.3 59,-0.1 60,-0.1 0.745 84.6 7.5 -87.5 -28.7 77.8 86.4 36.0 47 65 A S S > S- 0 0 4 57,-0.1 4,-2.2 58,-0.1 -1,-0.3 -0.980 79.0-103.1-151.0 159.8 76.4 86.8 39.5 48 66 A V T 4 S+ 0 0 0 55,-0.5 4,-0.2 -2,-0.3 56,-0.1 0.770 120.4 67.7 -54.1 -22.8 75.5 89.4 42.0 49 67 A K T >4 S+ 0 0 8 1,-0.2 3,-3.1 2,-0.2 -1,-0.2 0.996 103.0 39.3 -59.4 -71.7 78.8 88.4 43.5 50 68 A E G >4 S+ 0 0 48 1,-0.3 3,-2.8 2,-0.2 4,-0.2 0.830 103.2 70.7 -46.2 -39.0 80.8 89.9 40.5 51 69 A A G 3< S+ 0 0 11 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.620 97.9 54.7 -57.0 -7.1 78.4 92.9 40.4 52 70 A L G X + 0 0 0 -3,-3.1 3,-1.0 -5,-0.2 -1,-0.3 0.257 68.7 111.4-111.2 11.3 80.1 93.8 43.6 53 71 A S T < S+ 0 0 24 -3,-2.8 -1,-0.1 1,-0.3 -2,-0.1 0.748 84.2 43.4 -57.6 -25.1 83.7 93.8 42.5 54 72 A Y T 3 S+ 0 0 7 -3,-0.2 -1,-0.3 -4,-0.2 554,-0.2 0.566 88.5 103.3 -99.8 -9.5 83.9 97.6 42.9 55 73 A T S X S- 0 0 6 -3,-1.0 3,-0.8 1,-0.1 2,-0.2 -0.547 71.7-121.3 -79.1 137.7 82.2 98.1 46.2 56 74 A P T 3 S+ 0 0 1 0, 0.0 508,-0.1 0, 0.0 3,-0.1 -0.516 89.9 29.2 -76.3 139.4 84.3 98.8 49.2 57 75 A G T 3 S+ 0 0 1 -2,-0.2 18,-1.6 1,-0.1 2,-0.4 0.651 97.9 97.0 89.4 16.9 84.2 96.4 52.2 58 76 A V E < -F 74 0C 7 -3,-0.8 2,-0.3 16,-0.2 16,-0.2 -0.954 53.1-161.3-141.9 118.1 83.3 93.3 50.3 59 77 A S E -F 73 0C 18 14,-2.4 14,-1.0 -2,-0.4 543,-0.0 -0.682 5.0-174.2 -91.1 156.3 85.7 90.6 49.1 60 78 A V + 0 0 38 -2,-0.3 3,-0.2 12,-0.1 -1,-0.1 0.113 65.4 81.5-137.0 18.2 84.3 88.4 46.4 61 79 A G > + 0 0 13 540,-0.2 3,-1.4 1,-0.2 631,-0.1 0.200 45.8 120.7-110.3 13.5 87.0 85.8 46.0 62 80 A T T 3 S+ 0 0 3 1,-0.3 -1,-0.2 9,-0.3 10,-0.1 0.783 95.6 19.9 -48.1 -26.0 86.0 83.7 48.9 63 81 A R T > S- 0 0 27 1,-0.3 3,-1.4 -3,-0.2 -1,-0.3 0.207 98.4-142.0-132.5 17.7 85.6 80.9 46.3 64 82 A G T < S- 0 0 15 -3,-1.4 -1,-0.3 1,-0.2 630,-0.2 -0.225 74.3 -4.3 62.0-144.5 87.6 82.0 43.3 65 83 A A T 3 S+ 0 0 12 628,-1.8 -1,-0.2 629,-0.2 629,-0.1 0.720 110.4 104.2 -55.7 -24.5 86.4 81.3 39.8 66 84 A S < - 0 0 6 -3,-1.4 -3,-0.2 1,-0.1 160,-0.1 -0.268 43.8-179.6 -63.5 145.2 83.4 79.4 41.2 67 85 A N + 0 0 18 156,-0.4 -1,-0.1 158,-0.3 -18,-0.1 0.320 43.4 118.8-126.2 3.1 79.9 81.0 41.3 68 86 A T S S+ 0 0 1 157,-0.5 2,-0.4 -5,-0.1 -1,-0.1 0.789 84.9 25.5 -39.5 -37.6 77.8 78.3 43.0 69 87 A Y - 0 0 15 2,-0.1 2,-2.0 -3,-0.0 -1,-0.1 -0.994 69.6-133.9-137.5 141.1 77.0 80.7 45.8 70 88 A D + 0 0 3 -2,-0.4 2,-0.5 31,-0.3 15,-0.3 -0.548 50.9 160.7 -88.1 68.4 76.8 84.5 46.2 71 89 A H - 0 0 12 -2,-2.0 2,-0.3 13,-0.1 -9,-0.3 -0.847 15.7-174.6 -96.6 123.7 78.8 84.1 49.4 72 90 A L - 0 0 13 -2,-0.5 2,-0.6 -10,-0.1 7,-0.3 -0.875 26.5-143.9-122.4 152.9 80.5 87.3 50.5 73 91 A I E -F 59 0C 17 -14,-1.0 -14,-2.4 -2,-0.3 2,-0.5 -0.971 27.2-168.7-112.7 115.2 82.9 88.3 53.3 74 92 A I E > -FG 58 77C 9 3,-2.8 3,-1.6 -2,-0.6 -16,-0.2 -0.928 66.7 -15.0-111.8 122.7 81.9 91.8 54.4 75 93 A R T 3 S- 0 0 2 -18,-1.6 -1,-0.2 -2,-0.5 -17,-0.1 0.936 130.1 -53.6 55.4 43.7 84.1 93.9 56.7 76 94 A G T 3 S+ 0 0 11 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.585 120.5 99.0 68.3 10.1 86.0 90.8 57.5 77 95 A F B < +G 74 0C 10 -3,-1.6 -3,-2.8 51,-0.3 2,-0.3 -0.942 40.2 169.7-132.8 155.1 82.9 88.8 58.5 78 96 A A - 0 0 25 -2,-0.3 -5,-0.1 -5,-0.2 6,-0.1 -0.937 44.0 -73.8-150.8 167.7 80.5 86.2 57.1 79 97 A A > - 0 0 14 4,-0.5 3,-0.6 -7,-0.3 4,-0.2 -0.221 59.4 -94.0 -63.8 157.1 77.7 84.0 58.2 80 98 A E G > S+ 0 0 67 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 -0.462 104.9 23.4 -74.1 145.7 78.6 80.9 60.3 81 99 A G G 3 S- 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.825 126.1 -71.3 72.0 35.4 79.0 77.6 58.3 82 100 A Q G < S+ 0 0 77 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.731 93.2 149.1 54.6 21.8 79.8 79.1 54.9 83 101 A S < - 0 0 22 -3,-0.7 -4,-0.5 -4,-0.2 -1,-0.2 -0.391 45.6-116.0 -82.0 164.6 76.2 80.1 54.7 84 102 A Q - 0 0 7 9,-0.1 11,-0.2 -13,-0.1 -13,-0.1 -0.296 9.8-153.8 -88.5-178.9 75.1 83.2 52.8 85 103 A N + 0 0 14 -15,-0.3 46,-1.4 -2,-0.1 2,-0.4 -0.442 40.8 147.1-154.6 62.7 73.4 86.4 54.3 86 104 A N E -c 131 0B 7 7,-0.3 7,-2.4 44,-0.2 2,-0.3 -0.919 29.9-159.8-115.9 133.1 71.5 87.6 51.3 87 105 A Y E -cD 132 92B 6 44,-4.1 46,-3.2 -2,-0.4 2,-0.5 -0.822 3.2-159.2-109.2 147.0 68.2 89.5 51.2 88 106 A L E S-c 133 0B 4 3,-3.3 3,-0.5 -2,-0.3 46,-0.2 -0.934 78.1 -17.1-129.2 106.4 65.7 89.8 48.3 89 107 A N S S- 0 0 19 44,-3.0 45,-0.1 -2,-0.5 -1,-0.1 0.881 127.5 -50.8 68.4 41.6 63.2 92.7 48.5 90 108 A G S S+ 0 0 12 43,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.569 122.9 100.9 75.7 5.7 63.7 93.4 52.2 91 109 A L S S- 0 0 4 -3,-0.5 -3,-3.3 191,-0.1 2,-0.3 -0.917 73.9-116.6-120.9 149.0 63.1 89.7 52.9 92 110 A K B -D 87 0B 28 -2,-0.3 2,-1.1 -5,-0.3 -5,-0.2 -0.636 4.9-140.9 -91.1 147.6 65.8 87.2 53.7 93 111 A L - 0 0 9 -7,-2.4 2,-0.4 -2,-0.3 8,-0.4 -0.616 30.0-159.0 -98.3 67.5 66.6 84.2 51.5 94 112 A Q + 0 0 15 -2,-1.1 2,-0.1 6,-0.1 -9,-0.1 -0.319 17.3 177.7 -55.0 108.1 67.2 82.0 54.6 95 113 A G - 0 0 5 -2,-0.4 2,-0.3 -11,-0.2 5,-0.2 -0.313 13.9-154.5-101.8-171.3 69.3 79.1 53.4 96 114 A N B > -H 99 0D 21 3,-2.6 3,-2.9 1,-0.1 -15,-0.0 -0.917 52.8 -32.2-167.6 138.2 70.9 76.1 55.1 97 115 A F T 3 S- 0 0 69 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 -0.196 129.3 -17.0 48.4-131.4 73.8 73.8 54.6 98 116 A Y T 3 S+ 0 0 48 1,-0.1 2,-1.4 -3,-0.1 -1,-0.3 0.538 118.5 96.9 -79.1 -6.5 74.2 73.5 50.8 99 117 A N B < +H 96 0D 2 -3,-2.9 -3,-2.6 190,-0.1 2,-0.4 -0.658 48.1 138.2 -89.9 89.2 70.8 74.8 50.2 100 118 A D - 0 0 4 -2,-1.4 2,-0.2 -5,-0.2 -6,-0.1 -0.996 41.3-135.9-131.6 135.9 71.3 78.5 49.5 101 119 A A - 0 0 4 -2,-0.4 2,-0.3 -8,-0.4 -31,-0.3 -0.543 13.3-164.7 -94.1 157.2 69.6 80.4 46.7 102 120 A V - 0 0 2 -2,-0.2 2,-0.4 -33,-0.1 -33,-0.0 -0.957 9.7-146.4-135.0 153.0 70.9 82.9 44.2 103 121 A I - 0 0 4 -2,-0.3 -55,-0.5 93,-0.0 5,-0.1 -0.962 26.8-116.4-119.7 138.9 69.1 85.4 42.0 104 122 A D > - 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