==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERRIN 05-FEB-92 1LFG . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.N.BAKER,B.F.ANDERSON,M.HARIDAS . 691 1 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 10.3 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 . 3 0.4 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 . 1 0.1 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 . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 24.0 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 4 0 1 3 4 3 2 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 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 PARALLEL BRIDGES PER LADDER . 0 0 7 7 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 2 2 0 0 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 1 A G 0 0 131 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.7 -31.1 4.1 33.4 2 2 A R + 0 0 245 3,-0.0 2,-0.6 0, 0.0 3,-0.2 0.044 360.0 90.1-150.3 -8.6 -31.3 7.9 34.1 3 3 A R + 0 0 128 1,-0.2 3,-0.0 3,-0.0 0, 0.0 -0.488 61.6 176.6 -87.4 57.3 -29.9 9.4 30.8 4 4 A R - 0 0 213 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.801 44.1 -7.5 -34.5 -53.3 -33.5 9.3 29.9 5 5 A S - 0 0 19 -3,-0.2 2,-0.8 29,-0.1 29,-0.2 -0.991 37.1-134.5-159.2 162.0 -33.1 11.0 26.4 6 6 A V - 0 0 5 27,-0.7 2,-0.5 -2,-0.3 29,-0.1 -0.912 45.3-144.7-104.0 87.9 -31.4 12.8 23.5 7 7 A Q - 0 0 57 -2,-0.8 48,-3.3 27,-0.2 49,-1.6 -0.497 10.9-154.5 -62.3 108.6 -34.1 15.3 22.9 8 8 A W E -ab 36 56A 1 27,-2.0 29,-1.5 -2,-0.5 2,-0.5 -0.768 11.6-133.1 -84.1 144.8 -34.3 16.0 19.2 9 9 A a E -a 37 0A 0 47,-2.3 2,-0.2 -2,-0.3 49,-0.2 -0.862 20.5-157.2-102.5 120.9 -35.8 19.4 18.2 10 10 A A - 0 0 0 27,-2.8 29,-0.4 -2,-0.5 31,-0.2 -0.708 12.0-159.4 -97.7 154.2 -38.4 19.2 15.4 11 11 A V S S+ 0 0 36 -2,-0.2 2,-0.3 27,-0.2 27,-0.1 0.202 70.7 10.8-115.2 10.7 -39.4 22.1 13.1 12 12 A S S > S- 0 0 15 1,-0.1 4,-1.6 29,-0.1 27,-0.2 -0.891 80.7 -95.7-166.4-178.5 -42.8 21.1 11.8 13 13 A N H > S+ 0 0 105 -2,-0.3 4,-3.6 2,-0.2 5,-0.3 0.913 121.4 50.2 -81.7 -53.9 -45.5 18.5 12.4 14 14 A P H > S+ 0 0 35 0, 0.0 4,-3.1 0, 0.0 3,-0.4 0.991 111.2 53.8 -48.9 -53.0 -44.5 16.0 9.8 15 15 A E H > S+ 0 0 22 1,-0.3 4,-3.4 2,-0.2 -2,-0.2 0.862 111.6 43.0 -44.7 -55.0 -41.0 16.3 11.4 16 16 A A H X S+ 0 0 5 -4,-1.6 4,-1.0 1,-0.3 -1,-0.3 0.809 112.9 52.4 -61.6 -35.3 -42.4 15.5 14.8 17 17 A T H X S+ 0 0 79 -4,-3.6 4,-1.1 -3,-0.4 -1,-0.3 0.847 113.1 45.8 -70.3 -29.5 -44.6 12.8 13.2 18 18 A K H X S+ 0 0 3 -4,-3.1 4,-2.2 -5,-0.3 -2,-0.3 0.947 110.3 53.2 -77.6 -48.3 -41.3 11.5 11.7 19 19 A b H X S+ 0 0 0 -4,-3.4 4,-1.6 -5,-0.2 -2,-0.2 0.515 107.4 51.9 -59.7 -16.7 -39.4 11.9 15.1 20 20 A F H X S+ 0 0 74 -4,-1.0 4,-3.5 2,-0.2 -1,-0.2 0.774 108.1 47.4 -89.0 -41.0 -42.0 9.8 17.0 21 21 A Q H >X S+ 0 0 63 -4,-1.1 4,-2.3 -3,-0.3 3,-0.5 0.995 110.9 56.5 -60.7 -54.7 -42.1 6.8 14.7 22 22 A W H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.3 3,-0.5 0.832 110.9 41.9 -34.0 -69.9 -38.3 7.2 15.1 23 23 A Q H 3X S+ 0 0 48 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.795 111.0 56.8 -51.8 -40.4 -38.8 6.9 18.9 24 24 A R H S+ 0 0 1 -4,-1.8 5,-3.0 -5,-0.5 3,-0.4 0.972 111.0 33.4 -65.0 -51.8 -35.8 2.9 18.7 27 27 A R H ><5S+ 0 0 147 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.795 110.4 67.2 -75.0 -26.2 -37.1 1.3 21.9 28 28 A K H 3<5S+ 0 0 119 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.798 110.5 35.3 -58.6 -34.2 -38.8 -1.5 20.0 29 29 A V T 3<5S- 0 0 57 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.336 118.5-112.9-103.7 4.1 -35.3 -2.7 19.0 30 30 A R T < 5 + 0 0 206 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.616 66.1 150.4 69.1 22.3 -33.9 -1.7 22.4 31 31 A G < - 0 0 15 -5,-3.0 -1,-0.2 -6,-0.3 239,-0.1 -0.152 59.8 -65.6 -74.1 175.9 -31.7 1.0 20.9 32 32 A P - 0 0 22 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.250 65.7-103.8 -64.1 147.8 -30.7 4.2 22.8 33 33 A P - 0 0 64 0, 0.0 -27,-0.7 0, 0.0 2,-0.3 -0.330 35.9-179.3 -78.8 156.3 -33.8 6.4 23.5 34 34 A V - 0 0 3 -29,-0.2 2,-0.3 -11,-0.1 -27,-0.2 -0.844 5.6-167.6-157.3 123.7 -34.8 9.7 21.8 35 35 A S - 0 0 27 -2,-0.3 -27,-2.0 -29,-0.1 2,-0.3 -0.840 22.4-120.4-112.3 147.7 -37.8 11.8 22.6 36 36 A b E -a 8 0A 20 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.634 18.2-165.0 -97.3 147.9 -39.1 14.7 20.4 37 37 A I E -a 9 0A 25 -29,-1.5 -27,-2.8 -2,-0.3 2,-0.4 -0.888 15.3-135.0-128.4 148.3 -39.6 18.4 20.8 38 38 A K + 0 0 81 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.894 31.5 142.1-119.0 144.7 -41.6 20.8 18.7 39 39 A R - 0 0 83 -29,-0.4 -2,-0.0 -2,-0.4 0, 0.0 -0.909 47.0-119.2-160.7 178.0 -41.0 24.1 17.4 40 40 A D S S+ 0 0 105 -2,-0.3 -29,-0.1 1,-0.2 3,-0.1 0.452 82.8 23.9-109.7 -5.9 -41.6 26.2 14.3 41 41 A S S > S- 0 0 31 -31,-0.2 4,-3.3 1,-0.1 3,-0.4 -0.998 70.1-111.2-161.5 161.5 -38.2 27.0 13.1 42 42 A P H > S+ 0 0 18 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.899 121.2 52.4 -51.1 -45.6 -34.5 26.3 12.9 43 43 A I H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.833 108.9 48.6 -59.5 -36.5 -34.0 29.4 15.1 44 44 A Q H > S+ 0 0 77 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.949 111.5 50.6 -71.7 -44.4 -36.5 28.1 17.7 45 45 A a H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.922 108.1 52.3 -62.5 -42.3 -34.7 24.8 17.7 46 46 A I H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.904 112.9 45.8 -59.0 -41.6 -31.3 26.6 18.2 47 47 A Q H X S+ 0 0 72 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.943 106.6 55.7 -67.9 -47.7 -32.7 28.4 21.2 48 48 A A H <>S+ 0 0 1 -4,-2.7 5,-2.9 1,-0.2 6,-0.6 0.927 112.3 48.4 -49.9 -44.6 -34.4 25.3 22.7 49 49 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.2 4,-0.2 -1,-0.2 0.888 104.6 53.4 -60.7 -49.2 -30.9 23.8 22.6 50 50 A A H 3<5S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.719 116.3 43.7 -64.5 -21.8 -28.9 26.7 24.1 51 51 A E T 3<5S- 0 0 85 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 -0.202 116.9-106.4-121.2 44.1 -31.4 26.6 27.1 52 52 A N T < 5S+ 0 0 98 -3,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.598 85.9 115.2 39.7 34.8 -31.7 22.9 27.7 53 53 A R S > - 0 0 10 -2,-0.3 4,-1.6 193,-0.2 3,-1.3 -0.413 45.4 -95.6 -82.2 160.6 -27.8 23.7 6.9 61 61 A G H >> S+ 0 0 0 190,-0.3 4,-2.4 1,-0.3 3,-0.6 0.856 124.0 58.7 -46.1 -47.1 -24.4 25.5 6.7 62 62 A G H 3> S+ 0 0 1 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.806 110.2 40.3 -55.9 -34.3 -26.3 28.9 6.9 63 63 A F H <> S+ 0 0 14 -3,-1.3 4,-2.0 2,-0.2 -1,-0.3 0.688 107.4 63.8 -90.9 -19.0 -27.9 28.1 10.3 64 64 A I H X S- 0 0 65 -4,-0.9 3,-1.8 -3,-0.2 4,-1.7 -0.291 83.1 -71.0 -66.9 153.9 -22.9 32.8 17.3 70 70 A A T 34 S+ 0 0 69 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 -0.385 115.8 38.1 -66.7 155.4 -23.2 34.0 20.8 71 71 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.950 127.6 39.6 -92.0 12.2 -25.3 33.8 22.8 72 72 A Y T <4 - 0 0 61 -3,-1.8 187,-0.3 -6,-0.2 -2,-0.2 0.896 69.4-177.7 -81.7 -51.4 -26.0 30.2 21.5 73 73 A K < + 0 0 111 -4,-1.7 186,-0.6 1,-0.2 -5,-0.2 0.744 17.6 168.6 50.0 39.0 -22.5 28.9 20.8 74 74 A L E -D 258 0B 6 -7,-2.5 242,-0.5 -5,-0.3 184,-0.2 -0.294 20.5-147.2 -76.6 164.2 -23.6 25.5 19.4 75 75 A R E -D 257 0B 17 182,-2.8 182,-2.1 240,-0.1 2,-0.4 -0.988 19.8-111.2-132.9 136.6 -21.2 23.2 17.7 76 76 A P E +D 256 0B 1 0, 0.0 180,-0.3 0, 0.0 3,-0.1 -0.553 37.0 171.4 -67.9 125.5 -21.6 20.8 14.9 77 77 A V E + 0 0 5 178,-2.4 233,-2.3 -2,-0.4 2,-0.3 0.684 63.4 26.4-108.6 -24.2 -21.2 17.2 16.3 78 78 A A E -DE 255 309B 1 177,-1.3 177,-2.4 231,-0.2 2,-0.4 -0.984 67.4-148.5-146.3 132.6 -22.2 15.0 13.4 79 79 A A E -DE 254 308B 0 229,-2.9 229,-1.5 -2,-0.3 175,-0.2 -0.850 20.8-121.3-103.4 134.2 -22.0 15.6 9.6 80 80 A E E - E 0 307B 0 173,-2.7 2,-0.4 -2,-0.4 227,-0.2 -0.354 27.8-143.9 -65.5 150.5 -24.4 14.1 7.1 81 81 A V E - E 0 306B 15 225,-1.8 224,-2.6 9,-0.1 225,-0.6 -0.951 19.2-173.7-116.1 133.0 -22.5 12.0 4.5 82 82 A Y E +F 89 0C 9 7,-3.3 7,-2.0 -2,-0.4 2,-0.3 -0.553 44.0 55.2-117.5-174.0 -23.7 12.0 0.9 83 83 A G E S-F 88 0C 26 5,-0.2 2,-0.2 -2,-0.2 -2,-0.1 -0.613 96.2 -56.4 84.4-137.0 -22.7 10.1 -2.3 84 84 A T E > -F 87 0C 81 3,-0.7 3,-1.1 -2,-0.3 221,-0.1 -0.808 57.1 -88.2-132.9 171.2 -22.8 6.2 -2.1 85 85 A E T 3 S+ 0 0 129 1,-0.3 -2,-0.0 -2,-0.2 -3,-0.0 0.548 127.5 48.9 -59.8 -13.9 -21.1 3.7 0.3 86 86 A R T 3 S+ 0 0 88 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.688 123.9 25.2 -99.8 -26.9 -18.2 3.6 -2.0 87 87 A Q E < S+F 84 0C 150 -3,-1.1 -3,-0.7 2,-0.1 -1,-0.2 -0.553 78.2 172.8-138.0 69.3 -17.7 7.3 -2.5 88 88 A P E -F 83 0C 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.462 6.7-175.3 -77.0 153.1 -19.1 9.0 0.6 89 89 A R E -F 82 0C 46 -7,-2.0 -7,-3.3 -2,-0.1 -2,-0.1 -0.970 29.1-149.7-147.4 146.4 -18.4 12.7 0.9 90 90 A T S S+ 0 0 34 -2,-0.3 162,-1.8 -9,-0.2 2,-0.3 -0.274 81.8 64.1-109.5 41.9 -19.2 15.2 3.7 91 91 A H E -G 251 0D 24 160,-0.3 2,-0.3 -9,-0.0 -9,-0.2 -0.938 60.6-166.5-150.4 167.0 -19.6 18.1 1.2 92 92 A Y E -G 250 0D 0 158,-2.7 158,-3.7 -2,-0.3 2,-0.4 -0.900 23.7-108.0-149.8 171.1 -22.0 19.0 -1.7 93 93 A Y E -G 249 0D 4 -2,-0.3 118,-1.2 156,-0.2 2,-0.6 -0.873 13.7-141.9-110.8 142.0 -22.1 21.5 -4.5 94 94 A A E +GH 248 210D 1 154,-2.1 153,-3.6 -2,-0.4 154,-0.8 -0.891 34.3 178.2 -94.2 114.4 -24.3 24.5 -4.8 95 95 A V E - H 0 209D 1 114,-2.4 114,-0.9 -2,-0.6 2,-0.5 -0.727 30.5-128.7-115.3 170.2 -25.3 24.7 -8.5 96 96 A A E - H 0 208D 1 134,-0.3 134,-2.6 -2,-0.2 2,-0.3 -0.995 30.0-157.5-123.0 113.2 -27.5 27.0 -10.5 97 97 A V E +IH 229 207D 2 110,-2.8 110,-2.4 -2,-0.5 2,-0.3 -0.715 17.6 166.3-103.1 136.2 -30.0 25.0 -12.6 98 98 A V E -I 228 0D 0 130,-2.8 130,-3.1 -2,-0.3 2,-0.3 -0.958 35.7 -95.3-140.1 166.1 -31.8 26.2 -15.7 99 99 A K E > -I 227 0D 82 106,-0.4 3,-1.1 -2,-0.3 128,-0.3 -0.650 39.0-107.5 -93.5 138.1 -33.8 24.7 -18.5 100 100 A K T 3 S+ 0 0 108 126,-3.6 -1,-0.1 -2,-0.3 3,-0.1 -0.123 97.7 57.0 -49.2 155.2 -32.4 23.7 -21.9 101 101 A G T 3 S+ 0 0 85 1,-0.4 -1,-0.2 126,-0.1 2,-0.2 0.200 84.3 86.4 107.2 -23.2 -33.5 26.2 -24.6 102 102 A G < - 0 0 33 -3,-1.1 -1,-0.4 2,-0.1 2,-0.1 -0.520 59.0-150.5-105.4 176.7 -32.3 29.6 -23.3 103 103 A S + 0 0 114 -2,-0.2 2,-0.4 -3,-0.1 -3,-0.0 -0.620 48.5 123.6-150.2 72.2 -28.9 31.2 -23.8 104 104 A F - 0 0 41 -2,-0.1 2,-0.2 5,-0.0 -2,-0.1 -0.927 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43,-2.2 -2,-0.5 2,-0.5 -0.898 15.1-155.5-125.7 148.4 -35.3 33.2 -9.5 115 115 A c E -jk 157 207D 0 91,-2.3 93,-2.1 -2,-0.4 2,-0.3 -0.968 19.3-177.1-113.6 125.9 -36.1 30.3 -7.2 116 116 A H E - k 0 208D 0 41,-2.2 3,-0.1 -2,-0.5 93,-0.1 -0.829 33.0-126.7-120.8 156.6 -34.2 29.9 -3.9 117 117 A T S S- 0 0 0 91,-0.7 74,-2.5 1,-0.3 2,-0.2 0.776 78.3 -53.1 -75.5 -28.3 -34.3 27.2 -1.2 118 118 A G > - 0 0 0 72,-0.2 3,-1.2 3,-0.1 -1,-0.3 -0.809 68.9 -62.8 163.5 163.1 -34.8 29.8 1.6 119 119 A L T 3 S+ 0 0 22 40,-2.6 6,-0.1 -2,-0.2 5,-0.1 -0.445 117.7 6.3 -65.1 136.2 -33.4 32.9 3.2 120 120 A R T 3 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.346 90.8 135.1 70.6 5.0 -29.9 32.3 4.6 121 121 A R <>> - 0 0 22 -3,-1.2 4,-2.5 -59,-0.1 5,-2.0 -0.580 61.3-118.3 -88.1 147.8 -29.4 28.7 3.3 122 122 A T T 4>S+ 0 0 0 3,-0.2 5,-3.0 -2,-0.2 -1,-0.1 0.923 105.8 23.6 -49.9 -68.0 -26.0 27.8 1.7 123 123 A A T 45S+ 0 0 3 1,-0.2 -1,-0.2 3,-0.2 -3,-0.0 0.787 127.6 45.3 -79.5 -30.1 -27.1 26.9 -1.7 124 124 A G T 45S- 0 0 0 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