==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 07-FEB-00 1EFD . COMPND 2 MOLECULE: FERRICHROME-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.E.CLARKE,S.-Y.KU,D.R.DOUGAN,H.J.VOGEL,L.W.TARI . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 1 3 1 1 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 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 . 1 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 32 N G 0 0 20 0, 0.0 5,-0.2 0, 0.0 67,-0.2 0.000 360.0 360.0 360.0 41.8 29.6 26.4 13.1 2 33 N I + 0 0 153 65,-0.2 5,-0.1 1,-0.1 66,-0.1 0.531 360.0 52.7 -5.0 -91.7 28.3 29.1 10.7 3 34 N D > - 0 0 54 1,-0.2 3,-1.7 3,-0.1 64,-0.3 -0.464 65.4-163.5 -69.0 109.6 24.5 29.0 10.8 4 35 N P T 3 S+ 0 0 60 0, 0.0 3,-0.3 0, 0.0 20,-0.3 0.517 87.0 58.5 -68.1 -7.7 23.4 29.2 14.5 5 36 N N T 3 S+ 0 0 111 1,-0.2 -2,-0.1 18,-0.1 -3,-0.1 0.402 102.5 53.8-102.4 0.7 19.9 27.9 13.7 6 37 N R S < S+ 0 0 87 -3,-1.7 61,-2.5 -5,-0.2 62,-1.2 -0.100 72.4 130.3-125.9 37.1 21.1 24.7 12.2 7 38 N I E -a 68 0A 1 -3,-0.3 19,-2.5 17,-0.3 20,-1.2 -0.794 40.4-157.3 -94.3 127.6 23.3 23.2 14.9 8 39 N V E -ab 69 27A 0 60,-2.6 62,-2.5 -2,-0.5 2,-0.6 -0.920 2.4-155.1-107.8 125.5 22.7 19.6 15.9 9 40 N A E -ab 70 28A 0 18,-2.7 20,-2.0 -2,-0.5 62,-0.2 -0.898 10.0-174.8-102.2 119.5 23.8 18.4 19.3 10 41 N L S S+ 0 0 4 60,-3.3 2,-0.3 -2,-0.6 61,-0.2 0.413 70.5 36.0 -93.0 -0.1 24.4 14.7 19.6 11 42 N E S > S- 0 0 5 59,-0.4 4,-0.8 60,-0.1 18,-0.1 -0.975 81.2-118.0-148.2 156.4 25.0 14.5 23.3 12 43 N W H > S+ 0 0 3 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.672 104.1 67.2 -73.6 -18.5 23.6 16.4 26.3 13 44 N L H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.982 107.7 38.3 -65.3 -56.6 26.8 18.1 27.5 14 45 N P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.701 107.5 64.9 -69.2 -16.4 27.0 20.3 24.3 15 46 N V H X S+ 0 0 0 -4,-0.8 4,-2.7 1,-0.2 5,-0.2 0.956 105.2 47.1 -63.6 -48.3 23.2 20.8 24.3 16 47 N E H X S+ 0 0 5 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.823 108.7 53.3 -60.7 -35.5 23.8 22.6 27.6 17 48 N L H X S+ 0 0 1 -4,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.898 111.1 47.3 -68.7 -38.1 26.6 24.6 26.1 18 49 N L H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-0.7 0.931 111.4 49.9 -67.0 -46.9 24.4 25.7 23.3 19 50 N L H ><5S+ 0 0 38 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.850 105.0 57.4 -60.7 -38.0 21.5 26.7 25.6 20 51 N A H 3<5S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.8 48.7 -65.3 -25.9 23.8 28.7 27.9 21 52 N L T <<5S- 0 0 11 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.305 122.4-107.1 -94.9 6.6 24.7 30.8 24.9 22 53 N G T < 5S+ 0 0 66 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.640 70.4 144.5 79.6 13.5 21.1 31.3 23.9 23 54 N I < - 0 0 13 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.653 44.8-141.7 -87.2 142.3 21.1 29.0 20.9 24 55 N V - 0 0 70 -20,-0.3 -17,-0.3 -2,-0.3 19,-0.0 -0.913 28.8-122.1-101.9 110.5 18.1 26.9 20.1 25 56 N P - 0 0 2 0, 0.0 -17,-0.2 0, 0.0 23,-0.2 -0.257 10.0-150.6 -55.5 134.8 19.3 23.5 18.9 26 57 N Y S S+ 0 0 65 -19,-2.5 22,-1.8 1,-0.3 2,-0.3 0.901 84.9 3.7 -69.6 -43.7 18.1 22.5 15.4 27 58 N G E -bc 8 48A 0 -20,-1.2 -18,-2.7 20,-0.2 2,-0.3 -0.984 66.0-168.1-143.7 150.3 18.3 18.9 16.4 28 59 N V E -bc 9 49A 0 20,-2.6 22,-1.6 -2,-0.3 3,-0.4 -0.994 25.1-120.4-142.8 134.1 19.1 17.0 19.6 29 60 N A S S+ 0 0 0 -20,-2.0 23,-0.2 -2,-0.3 24,-0.1 -0.582 89.5 0.3 -77.8 132.3 19.8 13.3 20.2 30 61 N D > + 0 0 11 21,-2.0 4,-1.2 -2,-0.3 -1,-0.2 0.963 65.0 172.8 55.7 67.0 17.4 11.5 22.5 31 62 N T H > S+ 0 0 16 -3,-0.4 4,-1.4 2,-0.2 12,-0.1 0.779 73.8 62.8 -71.5 -27.6 15.0 14.3 23.6 32 63 N I H > S+ 0 0 92 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.966 110.3 34.8 -62.4 -55.8 12.8 11.8 25.4 33 64 N N H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.744 106.9 69.1 -73.6 -22.2 15.4 10.7 27.9 34 65 N Y H X>S+ 0 0 5 -4,-1.2 5,-2.8 1,-0.2 4,-2.1 0.916 98.0 54.2 -58.8 -40.3 16.8 14.2 28.1 35 66 N R H <5S+ 0 0 131 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.837 112.2 42.7 -62.1 -34.4 13.5 15.1 29.8 36 67 N L H <5S+ 0 0 56 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.867 126.9 26.3 -81.5 -39.3 14.0 12.4 32.4 37 68 N W H <5S+ 0 0 57 -4,-2.7 -3,-0.2 172,-0.1 -2,-0.2 0.826 136.5 21.2 -95.2 -38.6 17.7 12.8 33.2 38 69 N V T <5S+ 0 0 6 -4,-2.1 2,-3.7 -5,-0.4 204,-0.4 0.852 73.4 159.0 -95.4 -49.3 18.6 16.5 32.5 39 70 N S < + 0 0 54 -5,-2.8 -1,-0.1 -6,-0.1 -4,-0.1 -0.153 44.5 91.9 59.7 -51.1 15.0 17.9 32.6 40 71 N E S S+ 0 0 60 -2,-3.7 3,-0.1 1,-0.2 -2,-0.1 0.338 78.5 38.3 -55.8-156.9 16.2 21.5 33.2 41 72 N P S S- 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.715 94.8-143.2 8.6 74.1 16.7 23.8 30.2 42 73 N P - 0 0 104 0, 0.0 -2,-0.1 0, 0.0 -7,-0.0 -0.316 11.2-118.0 -58.5 147.8 13.6 22.2 28.7 43 74 N L - 0 0 21 -12,-0.1 -19,-0.0 -3,-0.1 -15,-0.0 -0.794 28.5-114.3 -91.9 125.1 14.0 21.8 24.9 44 75 N P > - 0 0 60 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.127 26.4-113.0 -52.8 153.2 11.4 23.7 22.8 45 76 N D T 3 S+ 0 0 163 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.772 111.4 72.0 -61.4 -25.3 9.1 21.5 20.8 46 77 N S T 3 S+ 0 0 89 2,-0.1 -1,-0.3 -19,-0.0 -3,-0.0 0.828 73.0 109.2 -59.5 -31.2 10.6 22.8 17.6 47 78 N V < - 0 0 17 -3,-1.4 2,-0.5 1,-0.1 -20,-0.2 -0.182 69.9-132.1 -52.1 131.3 13.7 20.7 18.3 48 79 N I E -c 27 0A 64 -22,-1.8 -20,-2.6 -23,-0.2 2,-0.6 -0.764 13.5-132.6 -89.4 126.8 14.1 17.7 16.0 49 80 N D E -c 28 0A 57 -2,-0.5 -20,-0.2 -22,-0.2 3,-0.1 -0.691 19.4-171.3 -79.8 120.6 14.9 14.4 17.8 50 81 N V - 0 0 0 -22,-1.6 7,-2.7 -2,-0.6 -21,-0.2 0.201 43.5-101.9-100.7 18.7 17.8 12.8 15.9 51 82 N G B -E 56 0B 23 -23,-0.4 -21,-2.0 5,-0.2 -1,-0.4 -0.470 68.0 -13.3 97.3-171.0 17.7 9.5 17.7 52 83 N L - 0 0 84 3,-0.6 3,-0.3 -23,-0.2 -22,-0.1 -0.340 56.2-126.9 -68.0 146.8 19.9 8.0 20.5 53 84 N R S S+ 0 0 34 1,-0.2 -1,-0.1 2,-0.2 -24,-0.0 0.812 114.6 45.4 -62.4 -28.3 23.2 9.7 21.3 54 85 N T S S+ 0 0 85 1,-0.2 -1,-0.2 22,-0.2 -43,-0.0 0.663 129.3 21.9 -89.0 -19.7 24.8 6.3 20.8 55 86 N E S S- 0 0 66 -3,-0.3 -3,-0.6 22,-0.1 -1,-0.2 -0.381 81.7-174.4-145.0 60.1 23.0 5.4 17.6 56 87 N P B -E 51 0B 10 0, 0.0 2,-1.4 0, 0.0 -5,-0.2 -0.204 40.9 -97.4 -60.7 149.5 21.8 8.6 15.9 57 88 N N > - 0 0 76 -7,-2.7 4,-2.5 1,-0.2 5,-0.2 -0.523 41.0-174.9 -67.7 91.7 19.6 8.5 12.8 58 89 N L H > S+ 0 0 72 -2,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.783 82.0 56.5 -62.0 -29.3 22.4 9.0 10.2 59 90 N E H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 109.6 44.9 -65.3 -49.9 19.8 9.1 7.4 60 91 N L H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.940 110.9 52.5 -60.4 -52.0 18.0 12.0 9.2 61 92 N L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.891 110.2 49.7 -52.8 -42.6 21.1 13.9 10.0 62 93 N T H < S+ 0 0 83 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.894 112.8 45.7 -64.2 -42.4 22.1 13.7 6.3 63 94 N E H < S+ 0 0 120 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 110.0 55.8 -67.6 -39.9 18.7 14.9 5.1 64 95 N M H < S- 0 0 12 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.727 92.0-150.8 -62.4 -28.7 18.8 17.7 7.8 65 96 N K < - 0 0 155 -4,-1.2 -3,-0.1 -3,-0.3 -4,-0.1 0.969 14.6-150.8 51.2 67.7 22.1 19.1 6.5 66 97 N P - 0 0 9 0, 0.0 -59,-0.2 0, 0.0 3,-0.2 -0.329 13.9-143.2 -65.1 150.0 23.3 20.5 9.8 67 98 N S S S- 0 0 10 -61,-2.5 2,-0.3 1,-0.4 -60,-0.2 0.783 87.0 -1.9 -81.9 -27.1 25.6 23.5 9.5 68 99 N F E -a 7 0A 18 -62,-1.2 -60,-2.6 -67,-0.2 2,-0.4 -0.981 65.0-152.7-159.8 147.1 27.5 22.1 12.5 69 100 N M E -ad 8 88A 0 18,-1.7 20,-2.1 -2,-0.3 2,-0.4 -0.982 10.6-164.2-126.5 139.5 27.2 19.1 14.8 70 101 N V E +ad 9 89A 0 -62,-2.5 -60,-3.3 -2,-0.4 -59,-0.4 -0.955 16.1 157.0-125.4 143.7 28.5 19.0 18.4 71 102 N W E - d 0 90A 23 18,-1.7 20,-2.7 -2,-0.4 2,-0.5 -0.824 43.0 -82.3-147.5-175.0 29.1 15.9 20.6 72 103 N S E > - d 0 91A 0 3,-0.3 3,-2.1 18,-0.2 20,-0.2 -0.887 45.0-112.5-105.4 126.5 31.0 14.7 23.6 73 104 N A T 3 S+ 0 0 32 18,-2.8 20,-0.3 -2,-0.5 3,-0.1 -0.262 100.6 11.2 -55.0 132.9 34.6 13.5 23.2 74 105 N G T 3 S+ 0 0 91 1,-0.2 2,-0.4 3,-0.1 -1,-0.3 0.446 110.7 98.2 78.4 0.8 35.0 9.8 23.8 75 106 N Y S < S- 0 0 66 -3,-2.1 -3,-0.3 2,-0.1 -1,-0.2 -0.950 77.0 -13.4-124.0 141.2 31.3 9.2 23.8 76 107 N G S S+ 0 0 40 -2,-0.4 -22,-0.2 -3,-0.1 -23,-0.1 -0.322 102.1 13.4 78.6-156.3 29.0 7.9 21.1 77 108 N P S S- 0 0 22 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.030 90.7 -80.5 -56.2 157.6 29.7 7.5 17.3 78 109 N S > - 0 0 65 1,-0.2 4,-2.4 2,-0.1 3,-0.3 -0.407 32.7-143.1 -60.8 126.9 33.1 7.8 15.7 79 110 N P H > S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.803 102.2 58.4 -63.7 -27.6 34.1 11.4 15.3 80 111 N E H 4 S+ 0 0 77 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.890 109.8 43.5 -67.1 -38.8 35.8 10.5 12.0 81 112 N M H >> S+ 0 0 66 -3,-0.3 3,-0.7 2,-0.2 4,-0.6 0.897 113.6 49.9 -72.4 -43.1 32.4 9.2 10.7 82 113 N L H >X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 3,-1.4 0.885 104.5 58.4 -63.5 -39.6 30.4 12.2 12.1 83 114 N A H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.722 99.1 61.1 -63.1 -20.8 32.8 14.6 10.5 84 115 N R H <4 S+ 0 0 87 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.727 102.6 51.8 -77.4 -23.2 31.9 13.0 7.2 85 116 N I H << S- 0 0 40 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.903 128.5 -35.1 -80.2 -46.0 28.3 14.0 7.7 86 117 N A S < S- 0 0 13 -4,-1.5 -1,-0.3 -21,-0.1 -19,-0.1 -0.957 81.8 -61.9-166.2 170.6 28.7 17.7 8.3 87 118 N P + 0 0 82 0, 0.0 -18,-1.7 0, 0.0 2,-0.3 -0.357 67.5 158.6 -62.9 147.3 31.2 20.0 10.1 88 119 N G E -d 69 0A 27 -20,-0.3 2,-0.3 -5,-0.1 -18,-0.2 -0.976 34.0-144.2-161.7 174.8 31.5 19.3 13.8 89 120 N R E -d 70 0A 91 -20,-2.1 -18,-1.7 -2,-0.3 2,-0.4 -0.983 14.5-141.2-150.7 134.6 33.3 19.6 17.1 90 121 N G E -d 71 0A 22 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.787 20.1-148.2 -96.6 141.9 33.7 17.2 20.0 91 122 N F E -d 72 0A 0 -20,-2.7 -18,-2.8 -2,-0.4 2,-0.4 -0.901 9.2-126.9-115.1 143.1 33.7 18.6 23.5 92 123 N N - 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