==== 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 1H44 . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.A.PETERSON,V.L.ARCUS,B.F.ANDERSON,G.B.JAMESON,J.W.TWEEDIE, . 322 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 64.3 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 . 39 12.1 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 . 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 . 1 0.3 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 . 16 5.0 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 . 67 20.8 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 0 2 2 1 0 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 . 1 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 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 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.2 -1.0 -9.7 36.2 2 5 A S - 0 0 39 29,-0.1 2,-0.2 1,-0.0 29,-0.1 0.716 360.0 -94.2 63.1 126.8 1.6 -7.1 35.3 3 6 A V E -a 31 0A 6 27,-0.7 29,-2.9 260,-0.1 2,-0.7 -0.513 35.1-146.1 -70.7 132.4 2.6 -6.5 31.7 4 7 A Q E -a 32 0A 58 -2,-0.2 48,-3.2 27,-0.2 49,-1.7 -0.876 11.9-157.7-106.7 107.9 5.6 -8.6 30.6 5 8 A W E -ab 33 53A 1 27,-2.5 29,-2.9 -2,-0.7 2,-0.5 -0.553 8.2-139.1 -83.2 147.1 7.8 -6.8 28.1 6 9 A a E -a 34 0A 0 47,-2.5 2,-0.3 -2,-0.2 49,-0.3 -0.918 10.4-158.1-111.4 126.3 10.1 -8.7 25.8 7 10 A A E -a 35 0A 0 27,-3.2 29,-1.9 -2,-0.5 31,-0.2 -0.762 10.0-154.5 -98.2 146.7 13.6 -7.6 25.0 8 11 A V S S+ 0 0 31 -2,-0.3 2,-0.3 29,-0.2 -1,-0.1 0.260 78.1 21.4-102.3 9.5 15.5 -8.8 21.9 9 12 A S S > S- 0 0 11 1,-0.1 4,-2.1 29,-0.1 27,-0.2 -0.976 83.5-102.5-164.3 165.9 18.9 -8.2 23.4 10 13 A Q H > S+ 0 0 105 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.922 119.5 54.1 -64.0 -45.0 20.8 -7.8 26.6 11 14 A P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.872 110.3 47.5 -58.8 -34.0 21.1 -4.1 26.3 12 15 A E H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.886 110.0 52.5 -72.8 -36.2 17.3 -3.9 25.8 13 16 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.928 108.8 51.4 -62.6 -42.8 16.8 -6.2 28.8 14 17 A T H X S+ 0 0 78 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.916 110.9 46.3 -60.3 -44.7 19.0 -3.8 30.8 15 18 A K H X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.882 108.6 57.6 -66.1 -35.8 16.9 -0.7 29.7 16 19 A b H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.882 106.9 47.0 -62.0 -39.8 13.7 -2.7 30.5 17 20 A F H X S+ 0 0 76 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.854 111.4 51.2 -72.3 -31.6 14.8 -3.2 34.1 18 21 A Q H X S+ 0 0 77 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.925 111.0 48.7 -67.9 -41.6 15.7 0.5 34.4 19 22 A W H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.951 111.6 51.4 -60.3 -46.9 12.3 1.3 33.0 20 23 A Q H X S+ 0 0 61 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.897 108.9 48.4 -56.0 -48.0 10.8 -1.1 35.6 21 24 A R H X S+ 0 0 152 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.894 112.4 49.4 -63.0 -40.7 12.7 0.5 38.6 22 25 A N H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.876 106.7 54.0 -67.4 -38.6 11.6 3.9 37.6 23 26 A M H <>S+ 0 0 0 -4,-2.4 5,-3.2 1,-0.2 -1,-0.2 0.914 111.7 47.0 -61.7 -39.4 8.0 3.0 37.2 24 27 A R H ><5S+ 0 0 212 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.928 108.9 54.3 -66.3 -46.5 8.1 1.6 40.7 25 28 A K H 3<5S+ 0 0 111 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.913 114.5 39.8 -54.3 -46.6 9.9 4.8 42.0 26 29 A V T 3<5S- 0 0 47 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.375 113.5-121.7 -86.0 5.6 7.1 7.0 40.6 27 30 A R T < 5 + 0 0 219 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.872 63.7 139.6 56.6 43.3 4.5 4.5 41.7 28 31 A G < - 0 0 16 -5,-3.2 -1,-0.1 1,-0.2 239,-0.1 -0.414 63.6 -48.9-103.7-176.9 3.1 3.9 38.2 29 32 A P - 0 0 34 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.232 66.9-117.5 -53.2 137.2 1.9 0.7 36.5 30 33 A P - 0 0 82 0, 0.0 -27,-0.7 0, 0.0 2,-0.4 -0.396 23.8-160.3 -78.6 156.7 4.5 -2.1 36.8 31 34 A V E -a 3 0A 2 -11,-0.1 -27,-0.2 -29,-0.1 2,-0.2 -0.973 4.7-152.6-139.8 122.2 6.4 -3.7 33.9 32 35 A S E -a 4 0A 39 -29,-2.9 -27,-2.5 -2,-0.4 2,-0.5 -0.534 16.1-130.7 -89.4 160.9 8.1 -7.0 34.1 33 36 A b E -a 5 0A 20 -29,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.950 19.7-176.9-126.5 125.7 11.1 -7.9 31.8 34 37 A I E -a 6 0A 31 -29,-2.9 -27,-3.2 -2,-0.5 2,-0.5 -0.921 18.0-145.1-113.4 135.7 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 -0.886 27.5 153.2-111.9 130.5 15.0 -11.4 27.8 36 39 A R - 0 0 73 -29,-1.9 -23,-0.1 -2,-0.5 -2,-0.0 -0.757 42.3-122.8-136.1-177.8 15.4 -13.0 24.4 37 40 A D S S+ 0 0 108 -2,-0.2 -29,-0.2 1,-0.2 3,-0.1 0.349 81.4 19.7-117.6 8.3 17.9 -12.7 21.5 38 41 A S S > S- 0 0 32 -31,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.986 74.8-105.5-167.8 160.2 15.8 -11.9 18.4 39 42 A P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 3,-0.2 0.947 119.3 52.7 -57.6 -48.0 12.4 -10.4 17.3 40 43 A I H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.830 106.4 53.8 -59.6 -32.1 11.2 -13.9 16.3 41 44 A Q H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 110.3 46.3 -70.2 -38.2 12.0 -15.3 19.7 42 45 A a H X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.2 5,-0.2 0.904 108.5 57.2 -68.1 -39.7 10.0 -12.5 21.4 43 46 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.931 113.2 38.7 -56.3 -47.5 7.1 -13.1 19.0 44 47 A Q H X S+ 0 0 71 -4,-1.9 4,-2.9 2,-0.2 6,-0.2 0.874 110.9 58.6 -72.5 -36.6 6.9 -16.8 20.0 45 48 A A H <>S+ 0 0 1 -4,-2.3 5,-3.7 1,-0.2 6,-0.8 0.913 111.3 43.7 -57.0 -41.8 7.6 -16.0 23.7 46 49 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.8 4,-0.2 -2,-0.2 0.912 110.8 54.4 -68.8 -43.8 4.5 -13.8 23.5 47 50 A A H 3<5S+ 0 0 37 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.881 110.9 45.8 -58.4 -40.1 2.5 -16.4 21.6 48 51 A E T 3<5S- 0 0 107 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.095 120.1-108.5 -93.3 24.8 3.2 -19.1 24.2 49 52 A N T < 5S+ 0 0 90 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.757 88.0 117.7 58.0 30.8 2.4 -16.7 27.1 50 53 A R S > - 0 0 10 -2,-0.3 3,-2.0 193,-0.2 4,-1.6 -0.427 49.2 -97.3 -74.4 156.0 9.2 -2.8 12.6 58 61 A G H 3> S+ 0 0 8 190,-0.3 4,-2.0 1,-0.3 5,-0.1 0.795 121.5 61.7 -46.6 -39.0 6.6 -3.5 9.9 59 62 A G H 3> S+ 0 0 5 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.792 112.2 37.9 -61.9 -27.5 8.6 -6.4 8.5 60 63 A F H <> S+ 0 0 21 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.678 106.1 63.6 -97.3 -20.2 8.2 -8.2 11.8 61 64 A I H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.906 105.9 50.7 -65.3 -38.2 4.7 -7.1 12.5 62 65 A Y H < S+ 0 0 130 -4,-2.0 4,-0.5 -5,-0.2 3,-0.5 0.947 111.4 44.0 -61.5 -52.8 3.9 -9.1 9.4 63 66 A E H >< S+ 0 0 49 -4,-1.0 3,-0.7 1,-0.2 6,-0.2 0.824 111.1 56.5 -63.9 -31.4 5.8 -12.2 10.5 64 67 A A H 3< S+ 0 0 0 -4,-2.3 7,-2.9 1,-0.2 -1,-0.2 0.812 103.1 54.9 -70.4 -29.3 4.2 -11.8 14.0 65 68 A G T 3< S+ 0 0 21 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.538 90.6 93.1 -82.2 -7.5 0.7 -11.9 12.5 66 69 A L S X> S- 0 0 79 -3,-0.7 4,-1.8 -4,-0.5 3,-1.7 -0.511 83.5 -59.8 -84.6 154.4 1.2 -15.2 10.7 67 70 A A T 34 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.347 115.3 30.1 -65.4 154.5 0.2 -18.5 12.2 68 71 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.914 129.0 42.0 -91.6 19.0 0.9 -20.1 14.6 69 72 A Y T <4 - 0 0 63 -3,-1.7 -2,-0.2 -6,-0.2 -4,-0.1 0.916 68.8-176.1 -87.5 -50.8 1.6 -16.7 16.4 70 73 A K < + 0 0 44 -4,-1.8 186,-0.9 -7,-0.2 -5,-0.3 0.895 18.8 171.8 53.1 48.0 -1.3 -14.6 15.3 71 74 A L E -D 255 0B 5 -7,-2.9 242,-0.4 -5,-0.3 184,-0.2 -0.543 17.0-152.6 -86.0 155.0 -0.1 -11.5 17.0 72 75 A R E -D 254 0B 3 182,-2.9 182,-2.0 -2,-0.2 2,-0.2 -0.976 20.4-110.4-131.4 141.7 -1.8 -8.1 16.5 73 76 A P E +D 253 0B 0 0, 0.0 180,-0.3 0, 0.0 238,-0.2 -0.515 36.4 169.4 -70.1 132.8 -0.5 -4.5 16.7 74 77 A V E + 0 0 6 178,-3.0 233,-2.0 1,-0.3 2,-0.3 0.590 64.1 25.4-117.8 -20.8 -2.1 -2.7 19.7 75 78 A A E -DE 252 306B 0 177,-1.3 177,-3.2 231,-0.2 -1,-0.3 -0.973 66.3-152.3-149.8 131.5 -0.1 0.5 20.0 76 79 A A E -DE 251 305B 4 229,-2.5 229,-1.9 -2,-0.3 175,-0.2 -0.806 22.4-116.1-106.7 145.5 1.8 2.5 17.3 77 80 A E E - E 0 304B 0 173,-2.5 2,-0.4 -2,-0.3 227,-0.2 -0.464 27.9-140.7 -73.9 150.4 4.8 4.7 17.8 78 81 A V E - E 0 303B 16 225,-2.1 224,-3.2 -2,-0.1 225,-0.8 -0.915 18.8-171.5-114.6 142.1 4.3 8.4 17.0 79 82 A Y E +F 86 0C 8 7,-2.9 7,-1.9 -2,-0.4 2,-0.5 -0.724 46.6 40.4-124.1 174.7 7.0 10.6 15.3 80 83 A G E S-F 85 0C 34 220,-0.3 2,-0.3 -2,-0.2 -2,-0.0 -0.790 98.2 -47.3 93.3-125.7 7.4 14.2 14.5 81 84 A T - 0 0 74 3,-1.0 -2,-0.1 -2,-0.5 221,-0.1 -0.856 50.9 -97.0-140.0 174.1 6.4 16.7 17.2 82 85 A E S S+ 0 0 166 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 0.842 126.2 43.5 -63.6 -33.3 3.4 17.3 19.6 83 86 A R S S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.870 126.7 29.9 -79.5 -39.8 2.1 19.9 17.1 84 87 A Q S S+ 0 0 150 2,-0.0 -3,-1.0 0, 0.0 -1,-0.2 -0.599 82.9 173.9-121.5 69.9 2.7 17.8 14.0 85 88 A P E -F 80 0C 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.442 6.9-172.2 -77.5 151.0 2.4 14.1 15.1 86 89 A R E -F 79 0C 51 -7,-1.9 -7,-2.9 -2,-0.1 -2,-0.0 -0.999 26.8-160.1-145.3 140.6 2.6 11.3 12.6 87 90 A T S S+ 0 0 65 -2,-0.3 162,-2.5 -9,-0.2 2,-0.3 -0.070 80.6 55.9-107.3 30.4 2.0 7.5 12.8 88 91 A H E -G 248 0D 44 160,-0.3 2,-0.3 -9,-0.1 -9,-0.1 -0.896 60.9-164.9-147.9 173.7 4.0 6.9 9.6 89 92 A Y E -G 247 0D 0 158,-2.3 158,-2.9 -2,-0.3 2,-0.5 -0.966 22.8-108.7-158.2 166.5 7.4 7.5 8.1 90 93 A Y E -G 246 0D 23 -2,-0.3 118,-1.3 156,-0.2 2,-0.5 -0.904 16.6-139.6-112.1 132.7 9.1 7.5 4.7 91 94 A A E +GH 245 207D 0 154,-2.3 153,-2.4 -2,-0.5 154,-1.0 -0.728 35.0 178.0 -83.1 127.7 11.7 5.0 3.5 92 95 A V E - 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