==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON TRANSPORT 01-OCT-96 1VFE . COMPND 2 MOLECULE: HUMAN LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.R.FABER,C.L.DAY,E.N.BAKER . 321 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 1 1 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 5 A S 0 0 84 0, 0.0 2,-0.2 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 119.5 29.4 -76.6 46.2 2 6 A V E -a 30 0A 4 27,-1.0 29,-2.4 260,-0.2 2,-0.7 -0.421 360.0-151.1 -70.9 125.6 29.3 -75.5 42.5 3 7 A Q E -a 31 0A 52 -2,-0.2 48,-2.9 27,-0.2 49,-1.7 -0.865 12.7-153.6-100.9 116.1 31.5 -72.5 41.5 4 8 A W E -ab 32 52A 1 27,-2.2 29,-2.5 -2,-0.7 2,-0.7 -0.594 12.9-128.2 -87.8 147.4 30.1 -70.6 38.6 5 9 A a E -a 33 0A 1 47,-2.4 2,-0.4 -2,-0.2 49,-0.3 -0.868 20.7-157.2-101.7 117.0 32.3 -68.7 36.3 6 10 A A E -a 34 0A 0 27,-2.8 29,-2.5 -2,-0.7 31,-0.1 -0.776 7.1-160.6 -93.1 135.0 31.2 -65.1 35.9 7 11 A V S S+ 0 0 38 -2,-0.4 2,-0.3 27,-0.2 -1,-0.1 0.821 70.3 16.5 -86.9 -27.1 32.4 -63.3 32.7 8 12 A S S >> S- 0 0 22 1,-0.1 4,-2.2 172,-0.0 3,-0.7 -0.859 82.6 -97.9-137.8 172.7 31.9 -59.7 33.8 9 13 A Q H 3> S+ 0 0 105 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.824 122.6 50.0 -63.3 -28.7 31.4 -57.6 37.0 10 14 A P H 3> S+ 0 0 33 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.732 109.2 53.1 -80.4 -17.7 27.6 -57.4 36.5 11 15 A E H <> S+ 0 0 24 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.922 108.7 49.3 -77.5 -42.1 27.5 -61.2 36.1 12 16 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.851 107.9 53.8 -63.7 -35.9 29.4 -61.6 39.4 13 17 A T H X S+ 0 0 79 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.878 111.8 45.2 -69.7 -33.2 27.0 -59.3 41.1 14 18 A K H X S+ 0 0 16 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.865 111.0 54.3 -75.2 -35.0 24.2 -61.5 39.9 15 19 A b H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.877 109.1 46.5 -65.8 -40.2 26.1 -64.6 40.9 16 20 A F H X S+ 0 0 110 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.808 111.9 51.8 -73.7 -27.8 26.5 -63.2 44.5 17 21 A Q H X S+ 0 0 90 -4,-1.2 4,-1.3 -5,-0.2 -2,-0.2 0.887 110.4 48.9 -72.8 -37.6 22.8 -62.4 44.4 18 22 A W H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.914 110.2 52.0 -65.5 -45.8 22.1 -66.0 43.3 19 23 A Q H X S+ 0 0 68 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.886 110.9 45.3 -60.6 -41.3 24.4 -67.4 46.1 20 24 A R H X S+ 0 0 145 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.769 112.0 52.3 -79.2 -21.2 22.7 -65.4 48.9 21 25 A N H < S+ 0 0 4 -4,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.738 107.9 51.9 -84.3 -22.3 19.2 -66.3 47.6 22 26 A M H ><>S+ 0 0 1 -4,-1.4 5,-3.5 2,-0.2 3,-0.6 0.833 110.8 46.7 -78.8 -34.0 20.2 -70.0 47.6 23 27 A R H ><5S+ 0 0 222 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.862 106.9 62.1 -75.1 -31.2 21.4 -69.9 51.2 24 28 A R T 3<5S+ 0 0 122 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.552 114.2 29.8 -67.6 -20.0 18.2 -68.0 52.1 25 29 A V T < 5S- 0 0 54 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.263 114.6-106.8-129.6 12.0 15.8 -70.8 51.1 26 30 A R T < 5 + 0 0 232 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.861 67.1 147.7 61.6 45.6 18.1 -73.7 51.8 27 31 A G < - 0 0 20 -5,-3.5 -1,-0.1 1,-0.2 239,-0.1 -0.284 60.5 -67.2 -91.4-175.5 18.9 -74.7 48.2 28 32 A P - 0 0 30 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.509 64.2-102.7 -75.0 141.2 22.2 -76.2 47.1 29 33 A P - 0 0 79 0, 0.0 -27,-1.0 0, 0.0 2,-0.4 -0.372 32.0-169.0 -70.8 146.3 25.1 -73.7 47.4 30 34 A V E -a 2 0A 3 -11,-0.2 2,-0.2 -29,-0.2 -27,-0.2 -0.996 2.9-168.8-133.4 130.5 26.8 -71.8 44.6 31 35 A S E -a 3 0A 32 -29,-2.4 -27,-2.2 -2,-0.4 2,-0.4 -0.650 18.2-125.3-109.4 175.2 30.0 -69.8 45.0 32 36 A b E -a 4 0A 19 -2,-0.2 2,-0.4 -29,-0.2 -27,-0.2 -0.977 19.3-174.9-135.2 135.8 31.4 -67.4 42.4 33 37 A I E -a 5 0A 49 -29,-2.5 -27,-2.8 -2,-0.4 2,-0.4 -0.886 21.0-140.1-120.9 143.4 34.7 -66.9 40.5 34 38 A K E +a 6 0A 79 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.903 26.4 162.9-108.8 137.3 35.3 -63.9 38.3 35 39 A R - 0 0 63 -29,-2.5 6,-0.0 -2,-0.4 4,-0.0 -0.897 37.5-125.8-139.1 170.6 37.1 -64.0 34.9 36 40 A D S S+ 0 0 108 -2,-0.3 -29,-0.1 -28,-0.1 -27,-0.1 0.580 82.3 14.6 -98.3 -9.9 37.3 -61.5 31.9 37 41 A S S > S- 0 0 23 -31,-0.1 4,-0.8 1,-0.1 3,-0.1 -0.935 78.4-101.7-151.9 171.6 36.2 -63.6 28.8 38 42 A P H > S+ 0 0 19 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.838 119.6 55.2 -70.5 -29.4 34.5 -66.9 28.0 39 43 A I H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.811 102.8 54.5 -75.3 -25.0 37.9 -68.5 27.2 40 44 A Q H > S+ 0 0 66 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.749 109.3 48.6 -77.0 -24.6 39.3 -67.7 30.6 41 45 A a H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.814 109.4 51.9 -82.5 -33.6 36.3 -69.4 32.2 42 46 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.950 113.7 45.4 -66.3 -44.3 36.8 -72.4 30.0 43 47 A Q H X S+ 0 0 56 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.857 111.9 51.4 -67.3 -35.2 40.4 -72.4 31.1 44 48 A A H <>S+ 0 0 0 -4,-1.5 5,-3.1 2,-0.2 6,-1.0 0.837 108.3 51.7 -71.4 -33.9 39.4 -71.9 34.8 45 49 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.0 4,-0.2 -2,-0.2 0.904 112.7 44.9 -70.5 -36.6 37.0 -74.8 34.7 46 50 A A H 3<5S+ 0 0 34 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.656 109.6 55.2 -81.7 -15.7 39.6 -77.2 33.2 47 51 A E T 3<5S- 0 0 99 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.278 119.6-110.4 -96.9 5.0 42.3 -76.0 35.7 48 52 A N T < 5S+ 0 0 103 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.891 90.5 110.4 65.6 47.9 39.9 -76.8 38.6 49 53 A R S > - 0 0 24 -2,-0.3 3,-1.5 193,-0.2 4,-1.4 -0.504 43.3 -97.6 -85.5 156.5 27.1 -70.1 23.2 57 61 A G H 3> S+ 0 0 3 190,-0.3 4,-1.5 1,-0.3 5,-0.1 0.768 123.0 55.2 -45.1 -36.1 27.5 -72.7 20.4 58 62 A G H 3> S+ 0 0 4 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.855 113.7 41.0 -71.5 -29.2 30.7 -71.2 19.1 59 63 A F H <> S+ 0 0 20 -3,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.666 104.3 63.1 -94.6 -13.9 32.3 -71.5 22.5 60 64 A I H X S+ 0 0 2 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.909 105.3 52.3 -70.5 -37.0 30.9 -74.9 23.3 61 65 A Y H >< S+ 0 0 76 -4,-1.5 3,-0.5 1,-0.2 4,-0.2 0.896 109.6 45.5 -60.6 -49.6 33.0 -75.9 20.3 62 66 A E H >< S+ 0 0 56 -4,-1.1 3,-0.7 1,-0.2 6,-0.2 0.783 110.0 54.7 -72.4 -24.1 36.2 -74.3 21.6 63 67 A A H 3< S+ 0 0 0 -4,-1.6 7,-3.6 1,-0.2 -1,-0.2 0.694 101.5 60.6 -78.6 -21.7 35.7 -75.8 25.1 64 68 A G T << S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.5 2,-0.2 0.453 91.0 82.7 -87.3 -3.5 35.4 -79.3 23.7 65 69 A L S X> S- 0 0 64 -3,-0.7 4,-2.0 -4,-0.2 3,-1.1 -0.582 85.6 -42.0 -96.3 168.0 38.9 -79.3 22.2 66 70 A A T 34 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.343 117.2 17.3 -70.2 147.9 42.2 -80.1 23.9 67 71 A P T 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.971 129.6 46.1 -93.4 15.0 43.4 -79.5 26.3 68 72 A Y T <4 - 0 0 66 -3,-1.1 187,-0.3 -6,-0.2 -2,-0.2 0.961 62.5-178.3 -77.3 -56.3 40.1 -78.4 27.8 69 73 A K < + 0 0 107 -4,-2.0 186,-1.0 -7,-0.2 -5,-0.3 0.882 16.4 171.3 54.6 49.1 37.6 -81.1 26.9 70 74 A L E -D 254 0B 4 -7,-3.6 242,-0.4 -5,-0.3 184,-0.2 -0.472 15.3-153.8 -83.5 160.8 34.5 -79.5 28.5 71 75 A R E -D 253 0B 23 182,-2.8 182,-2.2 -2,-0.1 2,-0.5 -0.962 20.4-102.2-140.6 151.5 31.2 -81.1 27.8 72 76 A P E +D 252 0B 0 0, 0.0 180,-0.2 0, 0.0 238,-0.2 -0.637 39.6 164.2 -79.5 123.9 27.5 -79.9 27.7 73 77 A V E + 0 0 3 178,-2.7 233,-2.0 -2,-0.5 2,-0.3 0.687 66.0 20.8-111.6 -24.7 25.7 -80.9 30.8 74 78 A A E -DE 251 305B 0 177,-1.3 177,-2.7 231,-0.2 -1,-0.3 -0.880 65.4-149.4-153.7 116.7 22.6 -78.7 30.7 75 79 A A E -DE 250 304B 5 229,-2.4 229,-2.1 -2,-0.3 175,-0.2 -0.560 24.7-117.4 -83.3 148.1 20.9 -76.9 27.8 76 80 A E E - E 0 303B 1 173,-2.7 2,-0.5 -2,-0.2 227,-0.2 -0.571 29.1-139.0 -79.0 141.7 19.0 -73.7 28.2 77 81 A V E + E 0 302B 15 225,-2.9 224,-2.8 -2,-0.2 225,-1.0 -0.937 25.3 177.0-110.4 126.1 15.4 -74.1 27.3 78 82 A Y E +F 85 0C 7 7,-2.7 7,-1.9 -2,-0.5 222,-0.1 -0.357 33.9 63.3-110.8-165.9 13.6 -71.3 25.3 79 83 A G E S-F 84 0C 22 5,-0.2 2,-0.2 220,-0.2 -2,-0.0 -0.382 92.7 -39.6 82.8-167.7 10.2 -70.8 23.8 80 84 A T - 0 0 60 3,-1.2 221,-0.1 -2,-0.1 3,-0.1 -0.495 53.7-113.4 -90.0 168.4 7.0 -70.6 25.7 81 85 A E S S+ 0 0 124 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.790 120.0 47.7 -72.9 -23.1 6.1 -72.8 28.7 82 86 A R S S+ 0 0 212 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.702 126.0 30.1 -88.5 -18.6 3.3 -74.5 26.7 83 87 A Q S S- 0 0 130 -3,-0.1 -3,-1.2 2,-0.0 -1,-0.3 -0.669 82.6-179.5-140.0 79.6 5.7 -75.0 23.7 84 88 A P E -F 79 0C 85 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.481 4.5-175.0 -85.4 158.3 9.4 -75.4 24.8 85 89 A R E -F 78 0C 48 -7,-1.9 -7,-2.7 -2,-0.2 -2,-0.0 -0.999 29.4-148.5-149.9 143.3 12.5 -75.9 22.6 86 90 A T S S+ 0 0 65 -2,-0.3 162,-1.7 -9,-0.2 2,-0.3 -0.186 81.9 67.4-102.1 38.5 16.2 -76.5 23.1 87 91 A H E -G 247 0D 35 160,-0.3 2,-0.3 161,-0.0 -9,-0.1 -0.985 60.3-156.3-150.5 160.5 17.1 -74.6 20.0 88 92 A Y E -G 246 0D 0 158,-3.2 158,-3.8 -2,-0.3 2,-0.5 -0.799 21.1-115.4-132.7 174.6 17.1 -71.1 18.4 89 93 A Y E -G 245 0D 27 156,-0.3 118,-1.1 -2,-0.3 2,-0.5 -0.960 16.5-141.9-117.7 124.2 17.0 -69.5 15.0 90 94 A A E +GH 244 206D 1 154,-2.6 153,-3.0 -2,-0.5 154,-0.9 -0.742 35.4 177.2 -82.8 123.2 19.8 -67.4 13.6 91 95 A V E - 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