==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON TRANSPORT 01-OCT-96 1VFD . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.R.FABER,C.L.DAY,E.N.BAKER . 321 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 63.2 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 11.5 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 . 2 0.6 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 3 1 2 1 0 1 1 0 0 0 1 0 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 2 1 1 3 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 . 0 1 0 1 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 5 A S 0 0 91 0, 0.0 2,-0.6 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 153.5 -34.2 77.0 45.5 2 6 A V E -a 30 0A 4 27,-1.5 29,-3.1 260,-0.1 2,-0.7 -0.853 360.0-150.0-101.9 114.9 -34.4 75.7 41.9 3 7 A Q E -a 31 0A 60 -2,-0.6 48,-2.9 27,-0.2 49,-1.0 -0.705 19.4-155.3 -82.8 116.4 -36.7 72.9 40.9 4 8 A W E -ab 32 52A 1 27,-3.9 29,-2.0 -2,-0.7 2,-1.2 -0.763 14.7-125.1 -91.1 138.6 -35.0 71.2 38.0 5 9 A a E -a 33 0A 0 47,-3.6 49,-0.2 -2,-0.4 29,-0.2 -0.663 25.8-163.0 -94.9 102.8 -37.2 69.3 35.6 6 10 A A E -a 34 0A 0 27,-2.5 29,-1.1 -2,-1.2 31,-0.2 -0.260 10.1-154.6 -70.6 154.7 -36.0 65.7 35.3 7 11 A V + 0 0 34 1,-0.3 2,-0.3 27,-0.2 -1,-0.1 0.513 69.4 2.4-116.8 -0.5 -37.2 63.7 32.4 8 12 A S S > S- 0 0 24 172,-0.1 4,-3.1 1,-0.0 -1,-0.3 -0.967 79.8 -92.0-171.1 168.0 -37.0 60.2 33.8 9 13 A Q H > S+ 0 0 113 -2,-0.3 4,-1.4 2,-0.2 5,-0.1 0.744 124.2 52.7 -63.8 -29.1 -36.2 58.2 36.9 10 14 A P H > S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.972 114.1 44.2 -68.7 -45.5 -32.5 57.8 35.9 11 15 A E H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.876 110.0 56.7 -61.5 -40.8 -32.4 61.6 35.4 12 16 A A H X S+ 0 0 3 -4,-3.1 4,-1.2 2,-0.2 -1,-0.2 0.834 107.1 48.1 -58.1 -39.1 -34.3 62.0 38.7 13 17 A T H X S+ 0 0 64 -4,-1.4 4,-2.7 -3,-0.5 3,-0.2 0.920 108.1 53.6 -71.4 -42.6 -31.6 60.1 40.6 14 18 A K H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.3 -2,-0.2 0.943 111.9 46.5 -58.0 -43.1 -28.9 62.0 39.0 15 19 A b H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.3 -1,-0.3 0.741 111.1 50.9 -68.8 -28.8 -30.6 65.1 40.2 16 20 A F H X S+ 0 0 97 -4,-1.2 4,-1.5 -3,-0.2 -1,-0.3 0.797 110.9 48.8 -84.2 -25.0 -31.2 63.7 43.7 17 21 A Q H X S+ 0 0 85 -4,-2.7 4,-1.2 2,-0.2 -2,-0.3 0.876 110.6 53.2 -77.6 -30.0 -27.6 62.8 43.8 18 22 A W H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.917 107.8 48.5 -65.9 -46.6 -26.9 66.4 42.6 19 23 A Q H X S+ 0 0 63 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.874 110.9 50.3 -65.3 -33.3 -29.0 67.9 45.4 20 24 A R H X S+ 0 0 189 -4,-1.5 4,-1.3 1,-0.2 -1,-0.3 0.739 112.2 49.4 -75.3 -28.1 -27.2 65.8 48.0 21 25 A N H X S+ 0 0 16 -4,-1.2 4,-1.3 -3,-0.2 -2,-0.2 0.850 107.4 52.5 -81.8 -30.8 -23.9 66.9 46.6 22 26 A M H <>S+ 0 0 4 -4,-2.4 5,-2.5 2,-0.2 -2,-0.2 0.888 109.8 49.8 -69.2 -39.6 -24.8 70.5 46.6 23 27 A R H ><5S+ 0 0 207 -4,-1.8 3,-1.2 3,-0.2 -1,-0.2 0.897 106.1 56.5 -64.5 -42.9 -25.8 70.3 50.3 24 28 A R H 3<5S+ 0 0 134 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.814 116.0 35.2 -62.4 -34.8 -22.5 68.6 51.2 25 29 A V T 3<5S- 0 0 60 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.278 112.6-123.1-103.6 13.3 -20.4 71.4 49.8 26 30 A R T < 5 + 0 0 217 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.842 60.5 141.2 49.8 48.4 -23.1 74.0 50.9 27 31 A G < - 0 0 23 -5,-2.5 -1,-0.1 1,-0.3 239,-0.1 -0.137 60.8 -44.8 -98.9-166.2 -23.8 75.6 47.5 28 32 A P - 0 0 23 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.399 69.8-110.9 -68.3 138.7 -26.9 76.8 45.9 29 33 A P - 0 0 74 0, 0.0 -27,-1.5 0, 0.0 2,-0.3 -0.554 29.1-163.7 -78.9 142.7 -29.8 74.3 46.4 30 34 A V E -a 2 0A 9 -2,-0.2 2,-0.3 -29,-0.2 -27,-0.2 -0.905 2.0-165.1-123.6 147.7 -31.3 72.2 43.6 31 35 A S E -a 3 0A 24 -29,-3.1 -27,-3.9 -2,-0.3 2,-0.4 -0.914 12.8-134.8-127.9 157.2 -34.7 70.4 43.7 32 36 A b E -a 4 0A 18 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.962 17.6-179.9-124.5 137.7 -36.0 67.7 41.4 33 37 A I E -a 5 0A 31 -29,-2.0 -27,-2.5 -2,-0.4 2,-0.4 -0.954 22.6-139.7-125.9 137.7 -39.4 67.3 39.7 34 38 A K E +a 6 0A 78 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.874 30.3 155.8-109.4 140.1 -40.1 64.4 37.5 35 39 A R - 0 0 74 -29,-1.1 6,-0.1 -2,-0.4 -2,-0.0 -0.864 41.2-120.7-147.7 169.4 -42.0 64.5 34.3 36 40 A D S S+ 0 0 84 -2,-0.3 -29,-0.1 1,-0.1 3,-0.1 0.551 80.6 22.5-102.7 -7.7 -41.8 62.1 31.3 37 41 A S S > S- 0 0 23 1,-0.2 4,-0.9 -31,-0.2 5,-0.1 -0.964 74.2-109.9-150.9 165.9 -40.9 64.2 28.2 38 42 A P H >> S+ 0 0 15 0, 0.0 3,-2.4 0, 0.0 4,-1.8 0.986 121.8 51.1 -62.9 -47.3 -39.1 67.5 27.3 39 43 A I H 3> S+ 0 0 62 1,-0.3 4,-1.2 2,-0.2 0, 0.0 0.784 107.4 53.7 -60.2 -24.3 -42.4 68.9 26.2 40 44 A Q H 3> S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.696 106.9 51.7 -81.3 -21.2 -43.9 67.8 29.5 41 45 A a H S+ 0 0 1 -4,-0.9 5,-3.4 2,-0.2 6,-1.6 0.819 112.5 48.8 -76.2 -26.7 -44.4 72.5 34.3 45 49 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.1 4,-0.2 -2,-0.2 0.919 113.9 47.6 -76.2 -35.9 -41.8 75.2 34.0 46 50 A A H 3<5S+ 0 0 36 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.734 111.8 49.8 -72.7 -24.9 -44.4 77.3 32.4 47 51 A E T 3<5S- 0 0 94 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.232 116.1-107.5-105.0 17.2 -47.0 76.5 35.1 48 52 A N T < 5S+ 0 0 110 -3,-1.1 -3,-0.2 2,-0.3 -2,-0.1 0.726 90.4 115.5 64.0 30.2 -44.7 77.2 38.0 49 53 A R S > - 0 0 7 -2,-0.3 3,-1.0 193,-0.2 4,-0.7 -0.473 45.4 -98.9 -81.2 161.9 -32.1 70.4 22.7 57 61 A G H 3> S+ 0 0 7 190,-0.3 4,-0.6 1,-0.3 -1,-0.1 0.442 122.4 60.4 -64.8 0.5 -32.5 73.2 20.1 58 62 A G H 3> S+ 0 0 6 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.778 109.5 42.2 -95.3 -32.6 -35.7 71.6 18.7 59 63 A F H <> S+ 0 0 10 -3,-1.0 4,-0.7 2,-0.2 -2,-0.2 0.506 104.0 64.9 -90.1 -3.1 -37.3 71.9 22.0 60 64 A I H < S+ 0 0 1 -4,-0.7 -1,-0.2 2,-0.2 10,-0.2 0.869 105.1 49.7 -80.0 -31.0 -35.8 75.4 22.5 61 65 A Y H >X S+ 0 0 65 -4,-0.6 3,-2.6 1,-0.2 4,-0.7 0.993 112.4 42.4 -65.4 -64.6 -38.1 76.2 19.5 62 66 A E H 3< S+ 0 0 64 -4,-1.7 3,-0.2 1,-0.3 6,-0.2 0.712 111.4 58.6 -64.5 -13.3 -41.2 74.7 20.8 63 67 A A T 3< S+ 0 0 0 -4,-0.7 7,-2.7 1,-0.2 -1,-0.3 0.371 100.2 54.6 -93.1 6.6 -40.5 76.1 24.3 64 68 A G T <4 S+ 0 0 17 -3,-2.6 -1,-0.2 5,-0.3 -2,-0.2 0.514 93.0 94.3-111.0 -9.0 -40.4 79.7 23.1 65 69 A L S >X S- 0 0 62 -4,-0.7 4,-2.2 -3,-0.2 3,-1.4 -0.297 80.7 -40.2 -81.5 161.7 -43.8 79.5 21.6 66 70 A A T 34 S+ 0 0 86 1,-0.4 -1,-0.1 2,-0.2 -2,-0.1 -0.412 119.4 9.9 -72.5 141.7 -47.1 80.4 23.2 67 71 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.4 0, 0.0 -4,-0.1 -0.960 129.1 50.6-100.5 17.1 -48.2 80.0 25.6 68 72 A Y T <4 + 0 0 64 -3,-1.4 187,-0.3 -6,-0.2 -2,-0.2 0.975 62.3 179.3 -73.2 -53.1 -44.9 78.9 27.1 69 73 A K < + 0 0 113 -4,-2.2 186,-0.6 -7,-0.2 -5,-0.3 0.973 20.2 173.2 51.6 57.1 -42.5 81.7 26.0 70 74 A L E -D 254 0B 5 -7,-2.7 242,-0.4 -10,-0.2 184,-0.2 -0.620 18.4-141.0 -94.1 166.0 -39.5 80.1 27.7 71 75 A R E -D 253 0B 5 182,-3.4 182,-2.2 -2,-0.2 2,-0.3 -0.991 13.7-116.7-138.8 141.6 -36.0 81.4 27.3 72 76 A P E +D 252 0B 1 0, 0.0 238,-0.3 0, 0.0 180,-0.3 -0.525 35.7 167.6 -71.6 122.4 -32.5 80.0 27.0 73 77 A V E + 0 0 3 178,-2.9 233,-2.8 -2,-0.3 2,-0.4 0.676 62.4 23.4-110.3 -25.1 -30.5 81.1 29.9 74 78 A A E -DE 251 305B 0 177,-1.3 177,-2.4 231,-0.2 -1,-0.3 -0.953 65.9-148.4-150.2 123.8 -27.4 79.0 29.8 75 79 A A E -DE 250 304B 4 229,-1.7 229,-1.6 -2,-0.4 175,-0.2 -0.677 26.1-112.8 -92.3 144.5 -25.8 77.2 26.9 76 80 A E E - E 0 303B 1 173,-2.6 2,-0.6 -2,-0.3 227,-0.2 -0.485 25.5-141.1 -74.8 138.9 -23.9 73.9 27.2 77 81 A V E - E 0 302B 13 225,-2.3 224,-2.9 -2,-0.1 225,-1.1 -0.933 24.5-174.2-107.2 114.8 -20.1 74.2 26.6 78 82 A Y E +FE 85 300B 5 7,-2.1 7,-1.5 -2,-0.6 2,-0.5 -0.682 36.2 30.5-106.3 165.1 -18.6 71.3 24.7 79 83 A G E S-F 84 0B 30 220,-0.7 2,-0.3 -2,-0.2 -2,-0.0 -0.883 96.6 -26.6 107.6-128.8 -15.2 70.1 23.7 80 84 A T - 0 0 69 3,-0.9 221,-0.1 -2,-0.5 5,-0.1 -0.812 53.8-119.3-126.0 160.6 -11.9 70.7 25.4 81 85 A E S S+ 0 0 97 -2,-0.3 -3,-0.0 1,-0.2 -1,-0.0 0.686 111.1 62.0 -81.5 -18.1 -11.1 73.7 27.6 82 86 A R S S+ 0 0 232 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.871 121.9 23.9 -72.4 -39.4 -8.2 74.9 25.4 83 87 A Q S S- 0 0 133 2,-0.0 -3,-0.9 0, 0.0 -1,-0.3 -0.743 81.8-171.0-131.0 88.8 -10.9 75.4 22.7 84 88 A P E -F 79 0B 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.457 4.1-171.0 -75.5 145.1 -14.4 75.9 24.1 85 89 A R E -F 78 0B 44 -7,-1.5 -7,-2.1 -2,-0.1 -2,-0.0 -0.995 24.0-160.4-139.0 137.0 -17.4 75.8 21.7 86 90 A T S S+ 0 0 61 -2,-0.3 162,-1.6 -9,-0.2 2,-0.3 -0.296 78.6 62.0-104.7 39.7 -21.1 76.7 22.3 87 91 A H E -G 247 0C 45 160,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.955 62.7-158.5-156.3 162.4 -22.1 74.8 19.2 88 92 A Y E -G 246 0C 0 158,-2.3 158,-3.1 -2,-0.3 2,-0.4 -0.843 20.2-114.7-140.8 172.3 -21.9 71.3 17.7 89 93 A Y E -G 245 0C 13 -2,-0.3 118,-1.0 156,-0.2 2,-0.6 -0.955 12.7-138.4-122.7 135.3 -22.1 69.8 14.3 90 94 A A E +GH 244 206C 0 154,-1.9 153,-4.3 -2,-0.4 154,-1.0 -0.783 36.2 166.2 -87.3 123.7 -24.6 67.5 12.8 91 95 A V E - 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0 0 52 -2,-0.2 3,-3.3 125,-0.1 4,-0.4 -0.670 45.7 -82.8-107.9 170.7 -22.7 59.5 -0.7 102 106 A L G > S+ 0 0 7 125,-0.5 3,-0.7 129,-0.5 -2,-0.1 0.698 129.9 52.2 -40.4 -39.8 -25.2 62.0 0.8 103 107 A N G 3 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.635 101.9 60.0 -74.2 -20.4 -26.9 62.4 -2.6 104 108 A E G < S+ 0 0 118 -3,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.436 71.8 120.9 -90.6 -0.2 -27.3 58.6 -3.0 105 109 A L X + 0 0 1 -3,-0.7 3,-0.8 -4,-0.4 -1,-0.2 0.335 33.7 117.5 -38.3 -20.3 -29.5 58.3 0.1 106 110 A Q T 3 S+ 0 0 147 -3,-0.3 43,-0.2 1,-0.2 42,-0.1 -0.399 76.8 8.7 -74.6 139.9 -32.9 56.9 -1.1 107 111 A G T 3 S+ 0 0 36 41,-2.8 -1,-0.2 1,-0.2 42,-0.2 0.770 100.6 114.0 71.1 32.1 -34.3 53.5 -0.1 108 112 A L S < S- 0 0 38 -3,-0.8 42,-2.5 40,-0.4 43,-0.8 -0.145 71.2 -90.5-109.2-154.9 -31.7 52.9 2.6 109 113 A K E -j 151 0C 80 40,-0.2 92,-2.8 41,-0.2 93,-2.6 -0.980 37.0-170.0-129.2 121.8 -31.9 52.6 6.4 110 114 A S E -jk 152 202C 0 41,-1.0 43,-1.8 -2,-0.4 2,-0.5 -0.898 13.1-155.0-114.4 138.7 -31.6 55.6 8.8 111 115 A c E -jk 153 203C 1 91,-2.8 93,-1.9 -2,-0.4 2,-0.4 -0.923 18.0-168.7-107.7 130.9 -31.2 55.8 12.6 112 116 A H E - 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