==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-BINDING PROTEIN 20-AUG-97 1BLF . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.A.MOORE,B.F.ANDERSON,C.R.GROOM,M.HARIDAS,E.N.BAKER . 685 1 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 10.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 41 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 2 0 2 3 4 2 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 PARALLEL BRIDGES PER LADDER . 1 1 5 6 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 1 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 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 N 0 0 78 0, 0.0 2,-0.5 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 117.7 42.9 74.5 49.7 2 6 A V E -a 30 0A 0 27,-3.9 29,-3.0 260,-0.1 2,-0.8 -0.918 360.0-146.0-111.7 127.3 41.7 74.1 46.0 3 7 A R E -a 31 0A 55 -2,-0.5 48,-2.6 27,-0.2 49,-2.3 -0.806 17.3-160.4 -92.5 113.5 40.7 77.1 44.0 4 8 A W E -ab 32 52A 2 27,-3.3 29,-2.9 -2,-0.8 2,-0.5 -0.785 10.9-135.4 -96.2 138.1 37.9 76.1 41.6 5 9 A a E -a 33 0A 1 47,-3.2 2,-0.4 -2,-0.4 49,-0.3 -0.818 21.1-172.8 -96.4 127.5 37.2 78.2 38.6 6 10 A T E -a 34 0A 0 27,-2.6 29,-2.6 -2,-0.5 31,-0.1 -0.902 16.1-157.4-117.1 141.9 33.5 78.9 37.8 7 11 A I S S+ 0 0 21 -2,-0.4 2,-0.3 27,-0.2 27,-0.1 0.287 70.2 29.6-106.6 15.0 32.3 80.7 34.7 8 12 A S S > S- 0 0 1 1,-0.1 4,-2.6 172,-0.1 5,-0.1 -0.985 77.1-108.3-164.1 161.0 28.9 82.0 35.9 9 13 A Q H > S+ 0 0 71 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.854 120.6 49.1 -62.4 -37.7 26.8 83.1 38.8 10 14 A P H > S+ 0 0 27 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.912 115.0 45.2 -73.4 -30.8 24.8 79.9 38.8 11 15 A E H > S+ 0 0 24 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.843 113.4 50.4 -73.2 -31.1 28.0 78.0 38.6 12 16 A W H X S+ 0 0 59 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.866 106.8 54.5 -71.5 -37.1 29.5 80.2 41.4 13 17 A F H X S+ 0 0 111 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.820 109.3 47.7 -65.8 -32.6 26.4 79.6 43.5 14 18 A K H X S+ 0 0 8 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.828 110.3 52.0 -75.3 -36.1 26.8 75.8 43.3 15 19 A b H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.908 110.9 46.4 -65.3 -43.9 30.5 76.0 44.1 16 20 A R H X S+ 0 0 90 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.851 112.1 51.8 -66.4 -35.3 29.8 78.1 47.2 17 21 A R H X S+ 0 0 94 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.780 113.8 44.1 -70.1 -31.9 27.1 75.5 48.0 18 22 A W H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.811 108.1 59.4 -80.3 -35.5 29.7 72.8 47.6 19 23 A Q H X S+ 0 0 29 -4,-2.7 4,-1.3 2,-0.2 3,-0.3 0.904 110.0 40.4 -59.7 -46.7 32.3 74.7 49.6 20 24 A W H < S+ 0 0 128 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.864 113.0 56.6 -70.1 -36.9 30.1 74.9 52.7 21 25 A R H < S+ 0 0 80 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.662 105.2 53.1 -68.0 -23.0 29.0 71.3 52.2 22 26 A M H >< S+ 0 0 14 -4,-1.1 3,-3.7 -3,-0.3 4,-0.3 0.969 85.6 81.3 -75.5 -56.4 32.6 70.1 52.2 23 27 A K G >< S+ 0 0 125 -4,-1.3 3,-1.1 1,-0.3 4,-0.2 0.544 89.2 52.8 -19.0 -51.2 33.9 71.6 55.5 24 28 A K G 3 S+ 0 0 135 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.567 100.7 61.7 -73.1 -13.0 32.5 68.9 57.8 25 29 A L G < S- 0 0 63 -3,-3.7 -1,-0.2 3,-0.1 -2,-0.2 0.540 110.4-120.1 -91.7 -7.0 34.2 66.1 55.8 26 30 A G < + 0 0 48 -3,-1.1 -2,-0.1 -4,-0.3 -3,-0.1 0.980 58.2 44.3 67.1 93.8 37.6 67.5 56.5 27 31 A A S S+ 0 0 62 -4,-0.2 2,-0.1 1,-0.1 3,-0.0 0.709 72.4 44.6 63.5 139.2 40.0 68.6 53.8 28 32 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.562 64.0-140.6 -90.9 174.2 40.7 69.9 51.4 29 33 A S - 0 0 65 -2,-0.1 -27,-3.9 -3,-0.1 2,-0.4 -0.589 14.0-142.9 -87.6 151.1 39.0 73.3 51.4 30 34 A I E -a 2 0A 2 -11,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.956 10.2-164.3-120.3 134.9 37.5 74.7 48.2 31 35 A T E -a 3 0A 47 -29,-3.0 -27,-3.3 -2,-0.4 2,-0.7 -0.844 16.1-136.9-110.8 149.1 37.6 78.3 47.0 32 36 A b E -a 4 0A 13 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.852 17.0-167.0-116.0 99.4 35.3 79.6 44.3 33 37 A V E -a 5 0A 21 -29,-2.9 -27,-2.6 -2,-0.7 2,-0.5 -0.625 15.4-138.6 -83.1 134.7 37.0 81.9 41.8 34 38 A R E +a 6 0A 78 -2,-0.3 2,-0.2 -29,-0.2 -27,-0.2 -0.865 33.5 152.7-102.5 127.7 34.7 83.8 39.5 35 39 A R - 0 0 70 -29,-2.6 3,-0.1 -2,-0.5 6,-0.0 -0.764 41.5-126.8-136.8 178.3 35.4 84.2 35.8 36 40 A A S S+ 0 0 34 -2,-0.2 2,-0.3 1,-0.2 -29,-0.1 0.762 78.6 7.4-104.1 -35.5 33.3 84.7 32.7 37 41 A F S > S- 0 0 83 -31,-0.1 4,-1.1 1,-0.1 -1,-0.2 -0.881 78.5 -92.9-143.8 175.7 34.3 82.1 30.2 38 42 A A H > S+ 0 0 26 141,-0.3 4,-1.7 -2,-0.3 3,-0.3 0.851 118.3 51.5 -59.3 -42.3 36.5 78.9 29.8 39 43 A L H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.815 104.8 57.8 -68.8 -28.5 39.6 80.6 28.5 40 44 A E H > S+ 0 0 50 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.857 108.2 46.7 -67.4 -33.4 39.6 83.1 31.4 41 45 A a H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.836 110.3 53.4 -74.2 -35.2 39.7 80.1 33.7 42 46 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.914 112.5 43.5 -64.3 -43.4 42.5 78.6 31.7 43 47 A R H X S+ 0 0 84 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.823 112.7 54.1 -71.3 -33.1 44.4 81.8 32.0 44 48 A A H <>S+ 0 0 0 -4,-1.8 5,-3.6 2,-0.2 6,-1.4 0.864 110.8 44.5 -69.4 -38.9 43.5 81.9 35.7 45 49 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.6 4,-0.2 -2,-0.2 0.929 113.7 50.5 -70.5 -42.8 44.8 78.5 36.4 46 50 A A H 3<5S+ 0 0 30 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.868 110.8 49.4 -61.8 -37.9 48.0 79.1 34.3 47 51 A E T 3<5S- 0 0 107 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.332 117.7-114.6 -85.7 6.7 48.6 82.3 36.2 48 52 A K T < 5S+ 0 0 115 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.747 87.4 116.6 65.3 28.2 48.1 80.5 39.6 49 53 A K S > - 0 0 8 -2,-0.3 4,-1.7 193,-0.2 3,-1.4 -0.571 49.6 -94.6 -89.1 154.4 35.2 69.9 27.1 57 61 A G H 3> S+ 0 0 0 190,-0.4 4,-1.6 1,-0.3 60,-0.1 0.671 124.2 56.4 -44.2 -33.6 37.8 68.4 24.7 58 62 A G H 3> S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.858 112.6 42.7 -71.0 -35.1 38.2 71.5 22.5 59 63 A M H <> S+ 0 0 39 -3,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.779 108.1 59.6 -79.8 -27.3 39.1 73.4 25.6 60 64 A V H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.869 105.7 50.0 -65.9 -35.5 41.3 70.6 26.8 61 65 A F H X S+ 0 0 25 -4,-1.6 4,-0.8 1,-0.2 3,-0.5 0.920 111.7 45.8 -65.4 -50.8 43.3 71.0 23.7 62 66 A E H < S+ 0 0 39 -4,-1.4 6,-0.3 1,-0.2 -2,-0.2 0.755 108.8 56.3 -68.2 -27.8 43.7 74.7 24.0 63 67 A A H < S+ 0 0 0 -4,-1.8 7,-2.6 1,-0.2 -1,-0.2 0.748 101.1 57.6 -77.4 -25.2 44.6 74.5 27.6 64 68 A G H < S+ 0 0 21 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.766 94.6 87.5 -75.8 -23.6 47.5 72.1 26.9 65 69 A R S >X S- 0 0 111 -4,-0.8 4,-3.4 -3,-0.2 3,-0.9 -0.002 84.3 -45.4 -68.6 172.5 49.1 74.6 24.6 66 70 A D T 34 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.566 117.8 15.8 -83.5 144.7 51.5 77.4 25.3 67 71 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.931 127.6 49.1-101.6 19.2 51.6 79.3 27.3 68 72 A Y T <4 - 0 0 52 -3,-0.9 -2,-0.2 -6,-0.3 -4,-0.1 0.976 68.5-175.7 -74.1 -49.8 49.0 77.6 29.5 69 73 A K < + 0 0 116 -4,-3.4 186,-1.1 1,-0.2 2,-0.3 0.951 20.3 163.9 52.8 57.9 50.5 74.1 29.5 70 74 A L E -D 254 0B 3 -7,-2.6 242,-0.4 -5,-0.2 184,-0.2 -0.825 23.1-152.9-108.0 149.7 47.8 72.5 31.5 71 75 A R E -D 253 0B 20 182,-2.5 182,-2.5 -2,-0.3 2,-0.6 -0.864 22.4-111.2-120.4 154.6 47.1 68.8 31.8 72 76 A P E +D 252 0B 0 0, 0.0 180,-0.3 0, 0.0 3,-0.1 -0.714 31.9 177.6 -83.1 118.9 43.9 66.8 32.4 73 77 A V E + 0 0 3 178,-2.1 233,-2.6 -2,-0.6 2,-0.3 0.751 65.4 13.6 -94.6 -22.0 44.2 65.3 35.8 74 78 A A E -DE 251 305B 0 177,-1.2 177,-3.2 231,-0.3 2,-0.3 -0.990 65.8-146.9-151.7 148.8 40.8 63.6 36.0 75 79 A A E -DE 250 304B 2 229,-2.9 229,-3.1 -2,-0.3 2,-0.3 -0.891 21.6-114.8-121.7 152.0 38.0 62.7 33.6 76 80 A E E - E 0 303B 1 173,-3.0 2,-0.4 -2,-0.3 227,-0.2 -0.625 27.5-143.9 -83.4 138.0 34.3 62.5 34.0 77 81 A I E - E 0 302B 25 225,-3.5 224,-2.2 -2,-0.3 225,-1.0 -0.847 20.9-179.5-103.9 138.0 32.8 59.1 33.6 78 82 A Y E +F 85 0C 7 7,-3.5 7,-2.5 -2,-0.4 2,-0.2 -0.491 35.8 68.0-117.9-165.5 29.5 58.7 31.9 79 83 A G E S-F 84 0C 28 5,-0.3 2,-0.2 220,-0.2 -2,-0.0 -0.597 88.0 -39.6 92.1-158.4 27.3 55.7 31.1 80 84 A T - 0 0 62 3,-3.5 221,-0.1 -2,-0.2 5,-0.1 -0.503 54.9-103.1-102.3 176.0 25.5 53.5 33.6 81 85 A K S S+ 0 0 158 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.866 124.8 29.8 -66.1 -37.4 26.5 52.1 37.0 82 86 A E S S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.544 129.8 41.9 -98.4 -10.0 27.2 48.7 35.6 83 87 A S S S+ 0 0 62 2,-0.0 -3,-3.5 0, 0.0 -1,-0.2 -0.692 77.9 172.2-138.1 80.7 28.1 50.0 32.2 84 88 A P E -F 79 0C 69 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.383 9.0-169.4 -86.8 170.9 30.3 53.0 32.5 85 89 A Q E -F 78 0C 32 -7,-2.5 -7,-3.5 -2,-0.1 -2,-0.0 -0.987 23.3-149.9-156.4 151.7 32.1 54.8 29.7 86 90 A T S S+ 0 0 29 -2,-0.3 162,-1.0 -9,-0.2 2,-0.3 -0.351 81.4 46.9-124.7 52.2 34.7 57.5 29.4 87 91 A H E -G 247 0D 36 160,-0.3 2,-0.2 2,-0.0 -9,-0.2 -0.914 66.5-152.5-169.6 173.1 33.6 59.0 26.1 88 92 A Y E -G 246 0D 0 158,-3.4 158,-2.4 -2,-0.3 2,-0.4 -0.781 19.1-102.1-147.2-171.2 30.3 60.1 24.6 89 93 A Y E -G 245 0D 15 156,-0.2 118,-1.1 -2,-0.2 2,-0.4 -0.979 15.3-142.5-129.2 132.3 28.7 60.5 21.3 90 94 A A E +GH 244 206D 0 154,-2.4 153,-3.4 -2,-0.4 154,-0.9 -0.718 34.7 170.3 -88.4 132.9 28.0 63.6 19.2 91 95 A V E - H 0 205D 3 114,-2.7 114,-1.4 -2,-0.4 2,-0.5 -0.930 34.2-124.2-139.7 164.1 24.7 63.3 17.5 92 96 A A E - H 0 204D 0 134,-0.4 134,-1.6 149,-0.3 2,-0.5 -0.961 25.0-156.6-114.6 119.3 22.2 65.5 15.5 93 97 A V E +IH 225 203D 3 110,-2.6 110,-1.7 -2,-0.5 2,-0.3 -0.855 14.7 176.1-103.3 128.2 18.7 65.7 16.8 94 98 A V E -IH 224 202D 0 130,-2.4 130,-3.4 -2,-0.5 2,-0.3 -0.828 35.0-106.0-121.8 160.9 15.9 66.6 14.6 95 99 A K E -I 223 0D 75 106,-0.6 128,-0.3 -2,-0.3 2,-0.1 -0.687 48.8 -96.9 -86.5 143.4 12.2 66.8 15.2 96 100 A K S S+ 0 0 114 126,-3.5 -1,-0.1 -2,-0.3 128,-0.0 -0.379 103.8 41.0 -63.5 131.7 10.2 63.9 13.7 97 101 A G S S+ 0 0 73 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.935 73.9 128.2 89.2 71.3 8.7 64.7 10.4 98 102 A S - 0 0 33 2,-0.1 -1,-0.3 -4,-0.1 -4,-0.0 -0.951 49.9-144.2-147.1 149.4 11.3 66.8 8.5 99 103 A N + 0 0 158 -2,-0.3 2,-0.1 5,-0.1 5,-0.1 0.648 66.7 99.9 -97.4 -11.3 12.3 66.0 5.0 100 104 A F - 0 0 3 4,-0.1 2,-0.2 3,-0.1 -2,-0.1 -0.352 49.8-166.0 -74.8 151.7 16.0 67.0 5.2 101 105 A Q - 0 0 42 -2,-0.1 3,-0.3 125,-0.1 131,-0.1 -0.538 47.6 -77.1-119.2-171.8 18.9 64.6 5.7 102 106 A L S > S+ 0 0 5 125,-0.4 3,-0.6 129,-0.3 126,-0.1 0.787 132.9 48.6 -60.4 -31.7 22.4 65.3 6.7 103 107 A D T 3 S+ 0 0 60 1,-0.2 3,-0.4 2,-0.1 2,-0.3 0.798 103.2 63.9 -76.5 -30.8 23.3 66.5 3.2 104 108 A Q T 3 + 0 0 98 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.115 67.7 107.0 -89.9 37.8 20.2 68.8 3.1 105 109 A L X + 0 0 0 -3,-0.6 3,-1.1 -2,-0.3 2,-0.5 0.358 44.2 111.6 -96.7 3.9 21.3 71.1 6.0 106 110 A Q T 3 S+ 0 0 126 -3,-0.4 43,-0.2 1,-0.3 3,-0.1 -0.685 85.8 16.6 -81.0 125.8 22.2 74.1 3.8 107 111 A G T 3 S+ 0 0 48 41,-2.2 -1,-0.3 -2,-0.5 2,-0.2 0.799 101.8 118.4 84.0 29.4 19.7 76.8 4.4 108 112 A R < - 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