==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON TRANSPORT 11-DEC-96 1HSE . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.NICHOLSON,B.F.ANDERSON,E.N.BAKER . 317 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 61.5 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 . 37 11.7 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 23.0 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 2 1 0 1 1 1 0 2 0 0 0 1 0 1 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 3 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 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 4 A R 0 0 295 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-140.2 42.1 33.9 -13.8 2 5 A S - 0 0 30 27,-0.1 2,-0.5 29,-0.0 29,-0.2 -0.464 360.0-107.6 -95.3 172.4 40.2 31.1 -15.5 3 6 A V E -a 31 0A 5 27,-1.5 29,-2.3 -2,-0.1 2,-0.7 -0.886 36.1-139.4 -98.9 130.5 39.4 27.6 -14.1 4 7 A Q E -a 32 0A 59 -2,-0.5 48,-3.4 27,-0.2 49,-1.9 -0.876 15.8-158.4 -99.3 114.4 41.7 25.2 -16.0 5 8 A W E -ab 33 53A 2 27,-3.6 29,-2.4 -2,-0.7 2,-0.5 -0.757 10.3-135.6 -92.4 133.0 39.9 22.0 -17.0 6 9 A a E -a 34 0A 0 47,-3.4 2,-0.4 -2,-0.4 49,-0.3 -0.743 16.5-162.3 -92.6 126.0 41.9 18.9 -17.7 7 10 A A E -a 35 0A 0 27,-3.4 29,-3.9 -2,-0.5 31,-0.1 -0.873 10.5-159.9-106.9 136.6 40.8 16.9 -20.8 8 11 A V S S+ 0 0 40 -2,-0.4 2,-0.3 27,-0.2 27,-0.1 0.359 72.3 23.0 -97.3 6.4 42.0 13.2 -21.2 9 12 A S S > S- 0 0 25 1,-0.1 4,-1.1 172,-0.1 27,-0.1 -0.954 82.9 -99.9-158.1 172.9 41.4 12.9 -25.0 10 13 A Q H > S+ 0 0 133 -2,-0.3 4,-1.6 2,-0.2 3,-0.2 0.908 118.5 47.6 -71.9 -36.9 41.1 14.9 -28.1 11 14 A P H > S+ 0 0 31 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.778 110.0 55.5 -72.2 -25.0 37.3 14.9 -28.4 12 15 A E H > S+ 0 0 25 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.807 106.5 49.9 -73.8 -32.2 37.1 15.9 -24.8 13 16 A A H X S+ 0 0 2 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.901 107.8 54.8 -74.3 -33.8 39.4 18.9 -25.5 14 17 A T H X S+ 0 0 72 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.808 108.9 46.5 -66.4 -36.5 37.1 19.9 -28.4 15 18 A K H X S+ 0 0 8 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.848 110.1 55.0 -75.4 -34.7 34.1 19.9 -26.1 16 19 A b H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.853 107.1 49.4 -65.5 -38.8 36.1 21.9 -23.5 17 20 A F H X S+ 0 0 97 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.798 111.1 50.7 -69.6 -31.4 36.9 24.6 -26.1 18 21 A Q H X S+ 0 0 88 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.774 108.8 50.3 -75.4 -32.2 33.2 24.7 -27.0 19 22 A W H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.913 110.3 51.4 -70.2 -43.5 32.3 25.1 -23.4 20 23 A Q H X S+ 0 0 35 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.869 112.4 45.2 -61.3 -39.0 34.8 28.0 -23.2 21 24 A R H X S+ 0 0 159 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.764 113.7 51.0 -76.2 -27.4 33.3 29.7 -26.3 22 25 A N H X S+ 0 0 19 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.875 107.9 49.7 -80.1 -34.6 29.8 29.2 -24.9 23 26 A M H X>S+ 0 0 2 -4,-2.4 5,-3.8 2,-0.2 4,-0.6 0.805 111.8 50.8 -67.5 -34.6 30.5 30.6 -21.5 24 27 A R H <5S+ 0 0 157 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.887 109.6 49.6 -69.6 -41.2 32.0 33.8 -23.2 25 28 A R H <5S+ 0 0 113 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.797 117.8 39.6 -67.4 -34.3 29.0 34.2 -25.4 26 29 A V H <5S- 0 0 47 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.543 112.0-124.0 -95.0 -7.7 26.7 34.0 -22.5 27 30 A R T <5 + 0 0 200 -4,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.848 59.6 143.3 62.2 46.2 29.1 36.0 -20.3 28 31 A G < - 0 0 18 -5,-3.8 -1,-0.2 1,-0.2 239,-0.1 -0.313 60.3 -54.3 -98.4-172.3 29.5 33.5 -17.6 29 32 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.271 68.7-103.7 -62.9 138.0 32.6 32.5 -15.5 30 33 A P - 0 0 76 0, 0.0 -27,-1.5 0, 0.0 2,-0.3 -0.513 35.2-176.2 -76.2 142.6 35.6 31.6 -17.6 31 34 A V E -a 3 0A 2 -29,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.939 2.3-171.4-130.0 147.6 36.9 28.1 -18.2 32 35 A S E -a 4 0A 20 -29,-2.3 -27,-3.6 -2,-0.3 2,-0.3 -0.949 18.5-120.3-138.0 155.6 40.1 27.1 -20.2 33 36 A b E -a 5 0A 17 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.755 17.5-172.0-109.6 154.4 41.3 23.7 -21.3 34 37 A I E -a 6 0A 34 -29,-2.4 -27,-3.4 -2,-0.3 2,-0.5 -0.968 17.4-143.8-134.8 142.9 44.3 21.5 -20.9 35 38 A K E +a 7 0A 102 -2,-0.3 -27,-0.2 -29,-0.2 2,-0.2 -0.942 28.5 157.3-117.1 116.2 44.9 18.3 -22.8 36 39 A R - 0 0 65 -29,-3.9 -2,-0.0 -2,-0.5 4,-0.0 -0.547 38.3-124.9-120.0-174.0 46.5 15.2 -21.0 37 40 A D S S+ 0 0 120 -2,-0.2 -29,-0.1 1,-0.1 -27,-0.1 0.720 79.3 14.3-112.5 -27.5 46.3 11.6 -22.0 38 41 A S S > S- 0 0 35 -31,-0.1 4,-1.0 -29,-0.1 -1,-0.1 -0.768 83.9 -98.0-133.7-178.4 45.1 9.5 -19.1 39 42 A P H > S+ 0 0 17 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.746 120.9 57.5 -77.9 -23.6 43.4 10.4 -15.9 40 43 A I H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.786 101.4 55.2 -78.2 -24.3 46.8 10.2 -14.0 41 44 A Q H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 110.5 46.3 -74.1 -35.2 48.3 12.8 -16.3 42 45 A a H X S+ 0 0 0 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.767 111.4 51.9 -74.9 -26.7 45.4 15.1 -15.4 43 46 A I H X S+ 0 0 0 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.891 111.7 47.2 -75.8 -39.4 45.9 14.2 -11.7 44 47 A Q H X S+ 0 0 76 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.914 112.0 50.1 -66.8 -43.0 49.6 15.0 -12.0 45 48 A A H <>S+ 0 0 3 -4,-2.3 5,-3.5 2,-0.2 6,-1.0 0.753 109.2 49.2 -65.3 -33.0 48.9 18.4 -13.7 46 49 A I H ><5S+ 0 0 0 -4,-1.2 3,-1.3 4,-0.2 -1,-0.2 0.896 112.2 50.9 -74.5 -39.0 46.3 19.6 -11.2 47 50 A A H 3<5S+ 0 0 35 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.788 112.2 45.5 -67.9 -35.0 48.8 18.7 -8.4 48 51 A E T 3<5S- 0 0 100 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.038 120.2-107.9-101.5 28.6 51.6 20.6 -10.2 49 52 A N T < 5S+ 0 0 113 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.571 88.7 114.6 58.0 19.6 49.3 23.7 -10.9 50 53 A R S > - 0 0 11 -2,-0.3 3,-1.6 193,-0.2 4,-1.3 -0.403 48.1 -97.2 -77.1 153.3 35.4 7.7 -11.4 58 61 A G H 3> S+ 0 0 3 190,-0.3 4,-1.2 1,-0.3 60,-0.1 0.724 120.4 56.1 -46.4 -34.5 35.6 6.4 -7.8 59 62 A G H 3> S+ 0 0 8 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.756 110.4 43.6 -76.4 -25.0 38.7 4.3 -8.3 60 63 A F H <> S+ 0 0 23 -3,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.733 104.7 63.6 -92.4 -18.3 40.8 7.3 -9.5 61 64 A I H X S+ 0 0 0 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.859 105.0 49.2 -65.9 -38.8 39.4 9.6 -6.8 62 65 A Y H < S+ 0 0 131 -4,-1.2 4,-0.5 2,-0.2 3,-0.3 0.911 113.1 45.5 -61.2 -54.1 41.1 7.2 -4.4 63 66 A E H >< S+ 0 0 74 -4,-1.0 3,-0.9 1,-0.2 6,-0.2 0.867 112.0 50.7 -63.0 -39.7 44.3 7.4 -6.4 64 67 A A H 3< S+ 0 0 0 -4,-3.1 7,-2.8 1,-0.3 -1,-0.2 0.698 104.0 59.9 -73.4 -22.7 44.2 11.2 -6.7 65 68 A G T 3< S+ 0 0 15 -4,-1.0 -1,-0.3 5,-0.3 -2,-0.2 0.632 91.9 92.4 -81.4 -15.0 43.7 11.6 -3.0 66 69 A L S X> S- 0 0 66 -3,-0.9 4,-3.0 -4,-0.5 3,-2.0 -0.110 81.9 -49.3 -75.6 171.8 47.0 9.9 -2.2 67 70 A A T 34 S+ 0 0 83 1,-0.4 -1,-0.1 2,-0.2 -2,-0.1 -0.693 120.5 18.4 -86.0 139.3 50.4 11.3 -1.6 68 71 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.4 0, 0.0 -4,-0.1 -0.902 129.0 45.7-102.8 30.8 51.8 13.1 -3.2 69 72 A Y T <4 - 0 0 52 -3,-2.0 -2,-0.2 -6,-0.2 -4,-0.2 0.950 65.4-176.8 -87.2 -51.6 48.7 14.4 -5.1 70 73 A K < + 0 0 116 -4,-3.0 186,-1.0 -7,-0.2 -5,-0.3 0.893 17.8 166.7 54.8 47.1 46.3 14.9 -2.2 71 74 A L E -D 255 0B 4 -7,-2.8 184,-0.2 -5,-0.2 -1,-0.2 -0.588 18.9-155.3 -86.8 154.9 43.4 16.0 -4.4 72 75 A R E -D 254 0B 28 182,-3.2 182,-2.4 -2,-0.2 2,-0.3 -0.951 20.8-104.1-132.6 153.4 39.9 16.1 -2.9 73 76 A P E +D 253 0B 0 0, 0.0 180,-0.3 0, 0.0 238,-0.2 -0.560 34.5 173.1 -76.5 135.7 36.4 15.9 -4.5 74 77 A V E + 0 0 3 178,-3.5 233,-2.7 1,-0.4 2,-0.4 0.763 64.3 20.2-114.9 -33.4 34.4 19.1 -4.9 75 78 A A E -DE 252 306B 0 177,-0.9 177,-2.5 231,-0.3 -1,-0.4 -0.997 65.9-147.8-139.0 131.9 31.3 18.5 -6.8 76 79 A A E -DE 251 305B 4 229,-3.7 229,-2.2 -2,-0.4 175,-0.2 -0.789 26.8-113.6 -97.4 145.6 29.5 15.1 -7.3 77 80 A E E - E 0 304B 0 173,-2.5 2,-0.4 -2,-0.3 227,-0.3 -0.526 28.8-135.2 -74.5 138.8 27.6 14.4 -10.6 78 81 A V E - E 0 303B 19 225,-2.7 224,-2.7 -2,-0.2 225,-0.8 -0.863 26.8-179.0 -99.5 135.8 23.9 14.0 -10.1 79 82 A Y E +F 86 0C 2 7,-3.0 7,-2.2 -2,-0.4 2,-0.4 -0.692 40.8 47.7-122.4 178.6 22.1 11.1 -11.8 80 83 A G E S-F 85 0C 32 220,-0.3 2,-0.2 -2,-0.2 -2,-0.0 -0.745 95.5 -44.4 93.6-138.3 18.5 9.9 -12.0 81 84 A T - 0 0 45 3,-2.3 5,-0.1 -2,-0.4 221,-0.1 -0.673 47.0-105.8-123.4-177.9 15.8 12.4 -12.7 82 85 A E S S+ 0 0 93 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.849 125.0 42.0 -75.7 -37.7 14.7 15.8 -11.6 83 86 A R S S+ 0 0 195 1,-0.3 -1,-0.1 -3,-0.0 -3,-0.0 0.912 128.3 29.7 -76.2 -44.9 12.0 14.2 -9.6 84 87 A Q S S+ 0 0 139 2,-0.0 -3,-2.3 0, 0.0 2,-0.3 -0.782 83.5 173.4-118.8 83.9 14.1 11.3 -8.3 85 88 A P E +F 80 0C 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.653 4.9 177.8 -97.9 152.9 17.7 12.5 -8.0 86 89 A R E -F 79 0C 52 -7,-2.2 -7,-3.0 -2,-0.3 -2,-0.0 -0.998 33.4-147.7-151.6 149.9 20.7 10.6 -6.6 87 90 A T S S+ 0 0 66 -2,-0.3 162,-1.7 -9,-0.2 2,-0.3 -0.239 82.6 64.2-109.3 43.8 24.4 11.0 -6.1 88 91 A H E -G 248 0D 42 160,-0.3 2,-0.3 -9,-0.1 -9,-0.1 -0.965 58.2-165.3-156.9 164.1 25.1 7.3 -6.4 89 92 A Y E -G 247 0D 0 158,-3.9 158,-3.3 -2,-0.3 2,-0.5 -0.818 23.6-104.3-144.6 179.8 24.8 4.6 -8.9 90 93 A Y E -G 246 0D 7 -2,-0.3 118,-1.2 156,-0.2 2,-0.5 -0.951 11.5-138.8-126.6 129.6 24.9 0.9 -9.0 91 94 A A E +GH 245 207D 0 154,-1.7 153,-3.3 -2,-0.5 154,-0.8 -0.591 36.4 178.8 -76.6 116.6 27.5 -1.7 -10.0 92 95 A V E - H 0 206D 3 114,-3.1 114,-1.9 -2,-0.5 2,-0.6 -0.784 30.8-134.8-120.8 168.3 25.7 -4.5 -11.9 93 96 A A E - H 0 205D 1 134,-0.3 134,-2.3 -2,-0.3 2,-0.4 -0.929 27.3-163.3-122.7 105.8 26.6 -7.8 -13.7 94 97 A V E +IH 226 204D 2 110,-3.2 110,-2.3 -2,-0.6 2,-0.2 -0.756 15.5 161.8-100.3 137.2 24.9 -8.1 -17.0 95 98 A V E -I 225 0D 0 130,-2.1 130,-1.7 -2,-0.4 2,-0.2 -0.819 41.8 -82.9-137.5 176.6 24.4 -11.2 -19.0 96 99 A K E > -I 224 0D 75 106,-0.4 3,-1.0 -2,-0.2 128,-0.3 -0.610 44.7-111.2 -88.7 146.3 22.3 -12.6 -21.8 97 100 A K T 3 S+ 0 0 88 126,-3.4 3,-0.1 -2,-0.2 -1,-0.1 -0.569 99.5 49.9 -75.1 135.9 18.9 -14.0 -21.1 98 101 A G T 3 S+ 0 0 67 1,-0.4 -1,-0.2 -2,-0.2 126,-0.1 0.017 82.9 116.3 124.8 -24.5 18.7 -17.8 -21.6 99 102 A G < - 0 0 32 -3,-1.0 -1,-0.4 1,-0.1 -4,-0.0 -0.129 50.8-154.4 -76.3 167.3 21.8 -18.8 -19.6 100 103 A S + 0 0 101 -3,-0.1 -1,-0.1 2,-0.1 133,-0.0 0.571 55.2 104.6-119.8 -15.5 21.9 -20.8 -16.5 101 104 A F - 0 0 45 1,-0.1 2,-0.2 4,-0.1 5,-0.1 -0.256 50.0-152.4 -71.3 156.5 25.1 -19.8 -14.6 102 105 A Q > - 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