==== 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 18-FEB-00 1EH3 . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.A.PETERSON,B.F.ANDERSON,G.B.JAMESON,J.W.TWEEDIE,E.N.BAKER . 324 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 12.7 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 2 1 1 1 1 1 0 0 0 0 1 1 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 2 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 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 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 0 133 0, 0.0 3,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 80.3 0.1 -10.1 36.4 2 5 A S - 0 0 39 1,-0.2 29,-0.2 29,-0.0 2,-0.1 -0.104 360.0 -77.4 -59.3 159.9 1.8 -6.9 35.2 3 6 A V E -a 31 0A 5 27,-0.7 29,-3.3 260,-0.1 2,-0.7 -0.369 43.6-143.0 -60.6 132.0 2.7 -6.5 31.5 4 7 A Q E -a 32 0A 54 27,-0.2 48,-2.9 -3,-0.1 49,-1.8 -0.915 13.7-156.7-104.3 110.6 5.7 -8.5 30.5 5 8 A W E -ab 33 53A 1 27,-3.2 29,-3.0 -2,-0.7 2,-0.5 -0.646 8.7-137.4 -85.3 144.8 7.8 -6.7 28.0 6 9 A a E -a 34 0A 0 47,-2.3 2,-0.3 -2,-0.3 49,-0.3 -0.901 11.0-158.6-108.5 123.1 10.1 -8.7 25.8 7 10 A A E -a 35 0A 1 27,-3.3 29,-2.4 -2,-0.5 31,-0.2 -0.766 8.2-155.1 -94.8 142.6 13.7 -7.5 25.1 8 11 A V S S+ 0 0 31 -2,-0.3 2,-0.3 27,-0.2 -1,-0.1 0.239 77.0 17.9-101.8 14.0 15.4 -8.8 21.9 9 12 A S S > S- 0 0 15 1,-0.1 4,-1.8 29,-0.1 27,-0.2 -0.969 85.0 -98.7-168.8 166.7 18.9 -8.3 23.3 10 13 A Q H > S+ 0 0 102 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.935 119.8 52.0 -65.1 -49.6 20.8 -7.8 26.6 11 14 A P H > S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 110.6 51.1 -54.7 -34.7 21.1 -4.0 26.3 12 15 A E H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.899 109.4 49.4 -67.7 -39.1 17.3 -3.9 25.7 13 16 A A H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.908 109.0 53.2 -65.2 -40.6 16.8 -6.1 28.8 14 17 A T H X S+ 0 0 78 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.922 110.6 46.4 -59.7 -43.9 19.0 -3.7 30.8 15 18 A K H X S+ 0 0 4 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.900 108.8 56.4 -66.7 -36.2 16.9 -0.7 29.6 16 19 A b H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.906 106.9 48.0 -63.2 -41.2 13.7 -2.6 30.5 17 20 A F H X S+ 0 0 74 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.879 112.1 50.4 -67.4 -31.5 14.9 -3.1 34.1 18 21 A Q H X S+ 0 0 73 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 111.1 48.1 -69.6 -42.2 15.8 0.6 34.2 19 22 A W H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.957 113.0 49.8 -59.8 -50.5 12.2 1.4 32.9 20 23 A Q H X S+ 0 0 61 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.898 110.0 49.1 -54.5 -47.7 10.8 -1.0 35.5 21 24 A R H X S+ 0 0 148 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.921 112.5 48.1 -60.8 -45.9 12.7 0.6 38.4 22 25 A N H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.886 107.7 54.1 -64.2 -39.0 11.7 4.0 37.4 23 26 A M H <>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.2 -1,-0.2 0.908 111.4 47.8 -61.9 -37.1 8.0 3.0 37.0 24 27 A R H ><5S+ 0 0 216 -4,-2.0 3,-1.7 -5,-0.2 -2,-0.2 0.947 109.1 52.8 -67.1 -48.4 8.3 1.7 40.6 25 28 A R H 3<5S+ 0 0 125 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.907 114.5 41.6 -53.7 -46.0 10.0 4.9 41.8 26 29 A V T 3<5S- 0 0 37 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.304 111.7-118.3 -88.9 10.7 7.2 7.1 40.4 27 30 A R T < 5 + 0 0 226 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.880 66.4 140.1 58.8 36.3 4.4 4.8 41.5 28 31 A G < - 0 0 15 -5,-3.1 -1,-0.2 1,-0.2 239,-0.1 -0.507 63.2 -56.9-100.2-179.2 3.2 4.1 38.0 29 32 A P - 0 0 19 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.197 63.1-112.0 -57.9 140.3 2.0 0.8 36.5 30 33 A P - 0 0 83 0, 0.0 -27,-0.7 0, 0.0 2,-0.4 -0.422 26.2-162.4 -75.9 152.5 4.6 -2.1 36.8 31 34 A V E -a 3 0A 2 -29,-0.2 2,-0.2 -11,-0.1 -27,-0.2 -0.990 6.2-151.6-138.3 122.0 6.4 -3.6 33.8 32 35 A S E -a 4 0A 33 -29,-3.3 -27,-3.2 -2,-0.4 2,-0.5 -0.651 14.1-134.5 -87.5 158.2 8.1 -7.0 33.9 33 36 A b E -a 5 0A 16 -2,-0.2 2,-0.4 -29,-0.2 -27,-0.2 -0.948 19.4-178.4-126.6 123.8 11.1 -7.8 31.7 34 37 A I E -a 6 0A 33 -29,-3.0 -27,-3.3 -2,-0.5 2,-0.5 -0.916 19.9-143.0-114.5 133.6 11.7 -11.0 29.7 35 38 A K E +a 7 0A 73 -2,-0.4 2,-0.2 -29,-0.2 -27,-0.2 -0.869 27.1 158.1-108.7 131.4 14.9 -11.4 27.7 36 39 A R - 0 0 70 -29,-2.4 -23,-0.1 -2,-0.5 6,-0.0 -0.786 40.5-123.0-134.0-179.9 15.3 -13.0 24.3 37 40 A D S S+ 0 0 105 -2,-0.2 -29,-0.2 1,-0.1 3,-0.1 0.362 81.3 17.8-114.1 6.8 17.7 -12.8 21.5 38 41 A S S > S- 0 0 31 -31,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.980 75.1-103.8-169.5 159.1 15.7 -11.9 18.4 39 42 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.903 121.3 50.3 -55.5 -44.2 12.4 -10.4 17.3 40 43 A I H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.850 106.9 54.7 -68.3 -28.9 11.1 -13.9 16.3 41 44 A Q H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 111.0 45.5 -70.8 -33.3 12.0 -15.2 19.7 42 45 A a H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.896 110.0 53.5 -72.6 -41.3 9.9 -12.4 21.3 43 46 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 112.7 45.4 -56.3 -46.6 7.0 -13.0 19.0 44 47 A Q H X S+ 0 0 67 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 109.5 54.1 -64.3 -43.8 7.1 -16.7 20.0 45 48 A A H <>S+ 0 0 1 -4,-1.8 5,-3.6 2,-0.2 6,-0.9 0.894 111.2 46.3 -59.0 -42.9 7.4 -15.9 23.7 46 49 A I H ><5S+ 0 0 0 -4,-2.3 3,-2.5 4,-0.3 -2,-0.2 0.957 111.2 50.2 -64.4 -50.4 4.3 -13.7 23.5 47 50 A A H 3<5S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.828 112.2 51.1 -56.8 -31.8 2.3 -16.3 21.5 48 51 A E T 3<5S- 0 0 112 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.193 116.3-115.9 -88.9 8.6 3.3 -18.8 24.2 49 52 A N T < 5S+ 0 0 104 -3,-2.5 -3,-0.2 2,-0.2 -2,-0.1 0.758 87.4 116.6 61.4 22.5 2.2 -16.5 27.0 50 53 A R S > - 0 0 10 -2,-0.3 4,-1.8 193,-0.2 3,-1.6 -0.498 46.9-100.7 -74.8 154.5 9.1 -2.7 12.6 58 61 A G H 3> S+ 0 0 6 190,-0.3 4,-2.5 1,-0.3 5,-0.2 0.776 121.9 61.6 -48.9 -38.8 6.5 -3.4 10.0 59 62 A G H 3> S+ 0 0 7 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.871 112.9 39.3 -59.5 -31.7 8.5 -6.2 8.3 60 63 A F H <> S+ 0 0 20 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.755 107.0 61.2 -90.1 -23.3 8.2 -7.9 11.7 61 64 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.940 105.2 52.2 -64.5 -43.0 4.6 -6.9 12.4 62 65 A Y H X S+ 0 0 137 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.945 111.8 43.9 -55.0 -53.7 3.8 -8.9 9.2 63 66 A E H >< S+ 0 0 45 -4,-1.2 3,-0.9 1,-0.2 6,-0.2 0.853 110.4 56.0 -60.0 -39.4 5.7 -12.0 10.5 64 67 A A H 3< S+ 0 0 0 -4,-2.5 7,-2.9 1,-0.2 -1,-0.2 0.811 103.2 55.6 -63.7 -33.0 4.1 -11.7 13.9 65 68 A G H 3< S+ 0 0 6 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.582 90.0 93.4 -78.1 -11.9 0.6 -11.7 12.5 66 69 A L S XX S- 0 0 72 -3,-0.9 4,-2.1 -4,-0.5 3,-1.6 -0.431 83.1 -65.4 -79.6 155.2 1.1 -15.0 10.6 67 70 A A T 34 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.3 -2,-0.1 -0.443 116.4 36.5 -69.9 155.8 0.2 -18.4 12.2 68 71 A P T 34 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.950 131.5 37.7 -83.0 15.9 1.0 -20.0 14.5 69 72 A Y T <4 - 0 0 51 -3,-1.6 187,-0.3 -6,-0.2 -2,-0.3 0.947 64.5-179.3 -90.4 -58.2 1.5 -16.6 16.2 70 73 A K < + 0 0 112 -4,-2.1 186,-0.8 -7,-0.2 -5,-0.3 0.881 18.8 169.5 55.5 48.2 -1.3 -14.2 15.1 71 74 A L E -D 255 0B 3 -7,-2.9 242,-0.5 -5,-0.3 184,-0.2 -0.580 18.2-151.3 -85.1 153.7 -0.1 -11.2 17.1 72 75 A R E -D 254 0B 11 182,-2.5 182,-1.9 -2,-0.2 2,-0.3 -0.931 20.4-105.8-128.5 148.4 -1.8 -7.9 16.4 73 76 A P E +D 253 0B 0 0, 0.0 180,-0.3 0, 0.0 238,-0.2 -0.604 37.8 169.6 -70.4 130.4 -0.6 -4.3 16.6 74 77 A V E + 0 0 4 178,-3.0 233,-2.4 1,-0.3 2,-0.3 0.623 64.9 24.8-116.0 -21.9 -2.1 -2.6 19.7 75 78 A A E -DE 252 306B 0 177,-1.3 177,-3.0 231,-0.3 -1,-0.3 -0.957 68.4-148.2-150.8 125.3 -0.2 0.7 20.0 76 79 A A E -DE 251 305B 4 229,-3.0 229,-2.1 -2,-0.3 175,-0.2 -0.714 22.3-116.3 -95.3 144.2 1.7 2.6 17.2 77 80 A E E - E 0 304B 0 173,-2.8 2,-0.5 -2,-0.3 227,-0.2 -0.485 26.9-136.3 -75.8 145.8 4.8 4.7 17.8 78 81 A V E + E 0 303B 16 225,-2.7 224,-3.2 -2,-0.1 225,-0.8 -0.922 26.7 172.7-109.1 130.7 4.4 8.4 17.1 79 82 A Y E +F 86 0C 10 7,-3.2 7,-2.3 -2,-0.5 2,-0.3 -0.510 40.7 61.8-117.0-169.3 7.1 10.4 15.2 80 83 A G E S-F 85 0C 30 5,-0.3 2,-0.3 -2,-0.2 -2,-0.0 -0.696 95.7 -53.7 87.7-144.5 7.3 13.9 13.9 81 84 A T - 0 0 78 3,-1.9 -2,-0.1 -2,-0.3 221,-0.1 -0.824 47.3-102.7-129.3 164.7 7.1 16.7 16.4 82 85 A E S S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.925 126.6 42.3 -55.3 -43.0 4.6 17.6 19.2 83 86 A R S S+ 0 0 248 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.830 131.3 26.9 -72.4 -32.3 3.1 20.3 17.0 84 87 A Q S S+ 0 0 122 2,-0.0 -3,-1.9 0, 0.0 -1,-0.3 -0.603 83.2 169.3-130.7 68.4 3.2 18.0 13.9 85 88 A P E -F 80 0C 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.450 6.4-179.6 -78.9 157.5 3.1 14.4 15.1 86 89 A R E -F 79 0C 42 -7,-2.3 -7,-3.2 -2,-0.1 -2,-0.0 -0.977 32.4-145.9-157.7 146.3 2.5 11.4 12.8 87 90 A T S S+ 0 0 58 -2,-0.3 162,-2.1 -9,-0.2 2,-0.3 -0.236 81.8 62.9-104.9 39.6 2.2 7.7 12.9 88 91 A H E -G 248 0D 48 160,-0.3 2,-0.3 2,-0.0 -9,-0.2 -0.947 60.0-164.5-152.6 164.8 3.9 7.0 9.6 89 92 A Y E -G 247 0D 0 158,-2.8 158,-3.0 -2,-0.3 2,-0.5 -0.915 21.7-107.6-148.0 174.1 7.3 7.5 8.0 90 93 A Y E -G 246 0D 13 -2,-0.3 118,-0.9 156,-0.2 2,-0.6 -0.947 16.5-140.7-115.4 126.4 9.1 7.6 4.7 91 94 A A E +GH 245 207D 0 154,-2.1 153,-3.0 -2,-0.5 154,-1.2 -0.738 37.6 178.7 -79.5 120.9 11.6 5.0 3.4 92 95 A V E - 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