==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 03-OCT-02 1H45 . 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 . 321 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 65.7 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 2 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 1 2 4 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 2 A R > 0 0 195 0, 0.0 3,-1.0 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 152.2 9.7 37.3 74.0 2 3 A R T 3 + 0 0 217 1,-0.2 4,-0.1 3,-0.0 0, 0.0 0.846 360.0 55.6 -61.0 -41.3 13.4 37.5 74.9 3 4 A R T 3 S+ 0 0 198 2,-0.1 2,-0.3 262,-0.0 -1,-0.2 0.519 88.0 95.2 -75.0 -5.4 14.0 33.8 75.7 4 5 A S S < S- 0 0 4 -3,-1.0 2,-0.6 27,-0.1 29,-0.2 -0.660 80.8-120.0 -88.2 142.6 12.6 32.6 72.3 5 6 A V E -a 33 0A 3 27,-1.8 29,-2.9 -2,-0.3 2,-0.9 -0.731 25.6-145.1 -81.5 120.4 15.1 31.9 69.5 6 7 A Q E -a 34 0A 53 -2,-0.6 48,-3.7 27,-0.2 49,-1.7 -0.781 15.5-158.4 -91.7 105.6 14.1 34.2 66.6 7 8 A W E -ab 35 55A 1 27,-3.0 29,-2.9 -2,-0.9 2,-0.5 -0.582 7.3-136.9 -87.0 145.9 14.7 32.4 63.3 8 9 A a E -a 36 0A 0 47,-2.3 2,-0.3 -2,-0.2 49,-0.3 -0.897 13.8-162.9-108.6 124.3 15.2 34.3 60.1 9 10 A A E -a 37 0A 1 27,-3.1 29,-2.9 -2,-0.5 31,-0.2 -0.752 12.0-155.8-100.2 147.2 13.5 33.1 56.8 10 11 A V S S+ 0 0 38 -2,-0.3 2,-0.3 27,-0.2 27,-0.1 0.299 77.3 23.7-105.4 8.3 14.7 34.3 53.4 11 12 A S S > S- 0 0 20 1,-0.1 4,-1.9 172,-0.1 27,-0.1 -0.960 83.8-103.8-159.5 168.8 11.4 33.7 51.6 12 13 A Q H > S+ 0 0 109 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.908 119.0 54.8 -68.6 -41.9 7.7 33.4 52.4 13 14 A P H > S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.879 109.8 47.6 -58.9 -37.2 7.7 29.6 52.0 14 15 A E H > S+ 0 0 24 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.907 109.8 52.7 -69.2 -40.8 10.5 29.5 54.6 15 16 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.927 108.6 50.9 -59.2 -44.3 8.5 31.8 56.9 16 17 A T H X S+ 0 0 63 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.886 111.2 47.3 -61.5 -39.1 5.6 29.4 56.5 17 18 A K H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 110.8 52.6 -69.1 -40.2 7.7 26.5 57.5 18 19 A b H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.934 108.0 50.0 -60.2 -46.9 9.2 28.4 60.4 19 20 A F H X S+ 0 0 82 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 111.0 49.8 -61.1 -35.9 5.7 29.2 61.8 20 21 A Q H X S+ 0 0 81 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.865 109.4 52.3 -68.3 -34.1 4.8 25.5 61.4 21 22 A W H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.943 108.3 52.5 -64.9 -45.8 8.0 24.8 63.3 22 23 A Q H X S+ 0 0 33 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.919 110.8 44.0 -56.5 -50.4 6.9 27.2 66.0 23 24 A R H X S+ 0 0 152 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.835 114.0 50.9 -69.0 -30.3 3.5 25.7 66.6 24 25 A N H X S+ 0 0 16 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.891 108.6 50.0 -73.4 -39.3 4.9 22.1 66.6 25 26 A M H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 -2,-0.2 0.918 112.8 49.9 -62.3 -40.5 7.6 22.9 69.1 26 27 A R H ><5S+ 0 0 146 -4,-1.9 3,-1.2 -5,-0.3 -2,-0.2 0.902 107.1 53.7 -63.3 -42.6 4.8 24.4 71.2 27 28 A R H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.880 113.1 41.9 -60.5 -41.4 2.6 21.4 70.9 28 29 A V T 3<5S- 0 0 38 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.304 112.7-118.3 -90.0 10.9 5.3 19.0 72.1 29 30 A R T < 5 + 0 0 215 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.898 66.4 141.0 54.4 44.8 6.3 21.4 74.9 30 31 A G < - 0 0 20 -5,-2.9 -1,-0.1 1,-0.2 239,-0.1 -0.424 61.1 -48.4-104.3-175.8 9.9 21.8 73.5 31 32 A P - 0 0 34 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.225 67.2-111.4 -53.7 136.3 12.1 24.8 73.2 32 33 A P - 0 0 48 0, 0.0 -27,-1.8 0, 0.0 2,-0.4 -0.482 32.9-175.0 -78.5 140.9 10.4 27.9 71.7 33 34 A V E -a 5 0A 2 -29,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.993 2.8-167.6-133.3 139.2 11.2 29.3 68.3 34 35 A S E -a 6 0A 16 -29,-2.9 -27,-3.0 -2,-0.4 2,-0.4 -0.755 18.5-118.2-119.3 170.0 9.8 32.5 66.7 35 36 A b E -a 7 0A 18 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.933 20.8-178.5-126.7 138.5 10.0 33.8 63.1 36 37 A I E -a 8 0A 33 -29,-2.9 -27,-3.1 -2,-0.4 2,-0.5 -0.985 21.2-144.2-125.4 132.4 11.4 36.8 61.3 37 38 A K E +a 9 0A 78 -2,-0.4 2,-0.2 -29,-0.2 -27,-0.2 -0.880 28.5 152.3-109.8 129.1 11.0 37.2 57.5 38 39 A R - 0 0 62 -29,-2.9 -23,-0.1 -2,-0.5 4,-0.0 -0.674 42.7-122.3-132.6-173.0 13.5 38.7 55.1 39 40 A D S S+ 0 0 91 -2,-0.2 -29,-0.2 1,-0.2 3,-0.1 0.449 81.5 17.9-119.5 -1.0 14.4 38.2 51.4 40 41 A S S > S- 0 0 33 -31,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.990 77.0-102.6-162.9 161.3 18.0 37.2 51.3 41 42 A P H > S+ 0 0 15 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.904 120.1 56.1 -57.2 -38.4 20.9 35.8 53.4 42 43 A I H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 106.2 48.4 -60.9 -41.3 22.3 39.3 53.6 43 44 A Q H > S+ 0 0 70 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.839 114.6 46.9 -68.4 -32.2 19.1 40.8 55.1 44 45 A a H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 111.2 50.5 -74.0 -42.2 19.0 37.9 57.6 45 46 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.938 115.8 43.1 -59.3 -46.9 22.7 38.3 58.5 46 47 A Q H X S+ 0 0 70 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.956 110.5 54.8 -63.5 -51.9 22.1 42.0 59.0 47 48 A A H <>S+ 0 0 2 -4,-2.6 5,-3.4 1,-0.2 6,-0.9 0.832 111.2 46.5 -51.1 -37.0 18.9 41.5 60.9 48 49 A I H ><5S+ 0 0 0 -4,-2.1 3,-2.2 4,-0.2 -1,-0.2 0.930 109.1 51.8 -73.3 -46.7 20.7 39.1 63.3 49 50 A A H 3<5S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.826 110.9 52.0 -58.3 -29.8 23.7 41.5 63.8 50 51 A E T 3<5S- 0 0 113 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.099 117.3-114.6 -93.3 19.9 21.0 44.1 64.7 51 52 A N T < 5S+ 0 0 107 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.781 87.2 115.8 52.0 32.5 19.3 41.9 67.2 52 53 A R S > - 0 0 8 -2,-0.3 4,-1.6 193,-0.2 3,-1.3 -0.389 47.8 -98.3 -71.3 157.7 25.9 28.1 52.7 60 61 A G H 3> S+ 0 0 3 190,-0.3 4,-2.0 1,-0.3 3,-0.2 0.847 122.3 58.8 -46.7 -42.9 29.7 28.3 53.1 61 62 A G H 3> S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.848 112.0 39.2 -58.8 -35.4 29.9 31.4 50.9 62 63 A F H <> S+ 0 0 12 -3,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.650 105.5 63.9 -90.6 -15.9 27.6 33.4 53.1 63 64 A I H X S+ 0 0 1 -4,-1.6 4,-1.1 -3,-0.2 -2,-0.2 0.911 106.8 48.2 -67.4 -41.0 29.0 32.0 56.4 64 65 A Y H >X S+ 0 0 122 -4,-2.0 3,-0.9 -5,-0.2 4,-0.6 0.958 111.8 47.7 -59.7 -53.0 32.1 33.8 55.1 65 66 A E H >< S+ 0 0 38 -4,-1.4 3,-1.4 1,-0.2 7,-0.2 0.913 109.6 53.3 -53.7 -48.6 30.1 37.0 54.4 66 67 A A H 3< S+ 0 0 0 -4,-3.0 7,-2.8 1,-0.3 -1,-0.2 0.708 101.2 61.1 -62.9 -23.4 28.4 36.8 57.8 67 68 A G H << S+ 0 0 15 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.629 91.2 83.4 -81.1 -13.2 31.8 36.7 59.6 68 69 A L S XX S- 0 0 70 -3,-1.4 4,-2.9 -4,-0.6 3,-1.8 -0.283 85.1 -46.2 -84.2 173.2 33.0 40.0 58.3 69 70 A A T 34 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.511 116.5 23.5 -82.8 153.7 32.2 43.5 59.7 70 71 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.615 131.4 42.6 -96.3 51.5 29.9 45.0 60.7 71 72 A Y T <4 - 0 0 52 -3,-1.8 187,-0.3 -6,-0.2 -2,-0.2 0.742 62.9-179.2-115.8 -52.4 28.3 41.6 61.3 72 73 A K < + 0 0 148 -4,-2.9 186,-1.3 -7,-0.2 2,-0.3 0.925 20.2 165.2 43.4 62.1 30.8 39.3 62.9 73 74 A L E -D 257 0B 2 -7,-2.8 242,-0.5 -5,-0.2 184,-0.2 -0.744 20.3-153.3-100.7 153.8 28.5 36.3 63.2 74 75 A R E -D 256 0B 15 182,-2.7 182,-2.0 -2,-0.3 2,-0.3 -0.943 23.1-100.4-129.2 153.2 30.0 32.8 63.8 75 76 A P E +D 255 0B 0 0, 0.0 180,-0.3 0, 0.0 238,-0.2 -0.540 36.1 173.6 -72.4 131.9 28.8 29.3 63.0 76 77 A V E + 0 0 6 178,-3.0 233,-2.7 1,-0.3 2,-0.3 0.660 66.6 17.8-109.9 -26.3 27.2 27.6 66.0 77 78 A A E -DE 254 308B 0 177,-1.2 177,-3.1 231,-0.3 -1,-0.3 -0.968 65.6-148.6-151.8 132.2 25.8 24.4 64.4 78 79 A A E -DE 253 307B 3 229,-2.6 229,-1.8 -2,-0.3 175,-0.2 -0.725 25.7-112.8-100.3 150.0 26.6 22.5 61.2 79 80 A E E - E 0 306B 1 173,-2.7 2,-0.5 -2,-0.3 227,-0.2 -0.518 29.2-136.7 -76.4 148.8 24.2 20.4 59.2 80 81 A V E - E 0 305B 19 225,-2.6 224,-3.1 -2,-0.2 225,-0.7 -0.925 24.8-177.9-110.6 133.1 25.0 16.7 59.1 81 82 A Y E +F 88 0C 5 7,-3.4 7,-1.7 -2,-0.5 2,-0.3 -0.478 42.6 48.7-115.5-171.0 24.7 14.8 55.8 82 83 A G E S-F 87 0C 29 5,-0.2 2,-0.3 220,-0.2 -2,-0.0 -0.602 99.7 -42.0 80.3-139.8 25.2 11.2 54.7 83 84 A T - 0 0 73 3,-1.7 3,-0.2 -2,-0.3 -2,-0.1 -0.808 47.3-110.4-124.1 164.9 23.4 8.6 56.8 84 85 A E S S+ 0 0 147 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.820 124.9 47.9 -63.4 -28.3 22.9 8.1 60.5 85 86 A R S S+ 0 0 229 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.743 129.4 22.6 -81.7 -25.5 25.3 5.1 60.1 86 87 A Q S S+ 0 0 143 -3,-0.2 -3,-1.7 2,-0.0 -1,-0.3 -0.564 84.6 173.7-141.9 71.3 27.8 7.2 58.2 87 88 A P E -F 82 0C 72 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.438 4.9-177.1 -81.0 155.6 27.3 10.9 59.0 88 89 A R E -F 81 0C 47 -7,-1.7 -7,-3.4 -2,-0.1 -2,-0.0 -0.993 30.0-143.8-152.3 146.7 29.5 13.7 57.8 89 90 A T S S+ 0 0 62 -2,-0.3 162,-1.8 -9,-0.2 2,-0.3 -0.244 83.6 56.5-104.9 42.8 29.7 17.5 58.2 90 91 A H E -G 250 0D 34 160,-0.3 2,-0.2 -12,-0.1 -9,-0.2 -0.969 60.4-163.3-161.2 158.5 30.8 18.2 54.7 91 92 A Y E -G 249 0D 3 158,-2.6 158,-2.9 -2,-0.3 2,-0.4 -0.735 26.7 -97.6-135.3-173.8 29.6 17.6 51.2 92 93 A Y E -G 248 0D 22 -2,-0.2 118,-1.4 156,-0.2 2,-0.6 -0.944 14.4-141.9-122.1 134.6 31.1 17.6 47.7 93 94 A A E +GH 247 209D 0 154,-2.5 153,-2.7 -2,-0.4 154,-1.1 -0.791 36.6 177.1 -87.8 119.0 31.1 20.3 45.0 94 95 A V E - 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