==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL-BINDING PROTEIN 03-FEB-05 2BJJ . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.J.THOMASSEN,H.A.VAN VEEN,P.H.C.VAN BERKEL,J.H.NUIJENS, . 692 1 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 4.8 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 . 31 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 24.4 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 0 3 1 1 2 5 3 2 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 0 1 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 1 5 9 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 1 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 X G 0 0 140 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.9 51.9 -24.5 67.3 2 2 X R - 0 0 237 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.554 360.0-141.2-126.1-172.3 49.6 -21.4 67.0 3 3 X R + 0 0 168 -2,-0.2 2,-0.2 0, 0.0 0, 0.0 -0.916 19.6 170.6-157.5 139.6 47.8 -18.8 69.1 4 4 X R - 0 0 129 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.749 12.9-168.6-140.9 98.4 44.6 -16.9 69.3 5 5 X R - 0 0 175 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.938 51.1 -87.1 -45.1 -61.6 44.2 -15.0 72.6 6 6 X S - 0 0 13 29,-0.0 2,-0.5 2,-0.0 29,-0.2 -0.964 28.0 -83.9 169.1 170.1 40.5 -14.1 72.1 7 7 X V E -a 35 0A 4 27,-1.5 29,-2.9 -2,-0.3 2,-0.8 -0.959 41.5-139.3-102.5 127.4 37.7 -11.8 70.7 8 8 X Q E -a 36 0A 60 -2,-0.5 48,-3.7 27,-0.2 49,-1.7 -0.782 18.4-164.3 -93.7 103.6 37.0 -9.0 73.2 9 9 X W E -ab 37 57A 2 27,-3.3 29,-2.3 -2,-0.8 2,-0.6 -0.747 12.6-136.4 -89.2 133.8 33.3 -8.3 73.4 10 10 X a E -a 38 0A 1 47,-2.9 49,-0.3 -2,-0.4 2,-0.3 -0.794 15.2-163.5 -90.4 117.2 32.0 -5.0 75.0 11 11 X A E -a 39 0A 0 27,-2.4 29,-1.5 -2,-0.6 31,-0.2 -0.690 10.1-152.7 -89.4 153.5 29.1 -5.3 77.5 12 12 X V S S+ 0 0 31 -2,-0.3 2,-0.3 27,-0.2 27,-0.1 0.226 73.2 9.3-112.8 14.7 27.2 -2.0 78.3 13 13 X S S > S- 0 0 19 1,-0.1 4,-2.1 29,-0.1 27,-0.1 -0.944 86.3 -88.1-176.3 175.1 26.0 -2.9 81.8 14 14 X Q H > S+ 0 0 110 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.916 120.6 50.3 -74.0 -49.0 26.4 -5.6 84.5 15 15 X P H > S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 111.4 53.7 -60.6 -27.6 23.8 -8.1 83.5 16 16 X E H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.972 109.4 46.1 -62.2 -54.2 25.4 -7.9 80.0 17 17 X A H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.884 110.0 55.7 -52.0 -45.7 28.8 -8.7 81.5 18 18 X T H X S+ 0 0 75 -4,-3.0 4,-1.8 1,-0.2 3,-0.3 0.937 111.2 42.2 -52.4 -52.8 27.3 -11.5 83.5 19 19 X K H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.878 112.6 55.7 -65.1 -36.4 25.9 -13.1 80.4 20 20 X b H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.782 107.5 48.3 -66.8 -31.4 29.2 -12.4 78.6 21 21 X F H X S+ 0 0 88 -4,-2.1 4,-1.8 -3,-0.3 -1,-0.2 0.867 112.1 48.6 -73.6 -38.7 31.2 -14.3 81.3 22 22 X Q H X S+ 0 0 59 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.761 109.7 52.0 -78.4 -23.2 28.9 -17.2 81.2 23 23 X W H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.924 106.9 57.0 -65.9 -47.6 29.1 -17.3 77.4 24 24 X Q H X S+ 0 0 51 -4,-1.6 4,-1.5 1,-0.2 3,-0.3 0.883 109.0 42.3 -49.9 -51.4 33.0 -17.2 77.9 25 25 X R H X S+ 0 0 134 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.842 111.2 55.7 -71.1 -33.8 33.1 -20.4 80.0 26 26 X N H X S+ 0 0 19 -4,-1.3 4,-1.7 2,-0.2 6,-0.3 0.716 106.9 51.2 -69.0 -23.9 30.5 -22.3 77.8 27 27 X M H <>S+ 0 0 1 -4,-1.4 5,-1.0 -3,-0.3 -1,-0.2 0.863 113.5 43.9 -77.6 -39.8 32.8 -21.6 74.8 28 28 X R H ><5S+ 0 0 149 -4,-1.5 3,-0.7 3,-0.2 -2,-0.2 0.918 114.8 50.3 -65.8 -46.3 35.8 -23.0 76.7 29 29 X R H 3<5S+ 0 0 140 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.916 113.5 42.4 -62.5 -48.7 33.7 -26.0 78.0 30 30 X V T 3<5S- 0 0 41 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.470 115.6-121.6 -78.6 0.8 32.4 -26.9 74.5 31 31 X R T < 5 + 0 0 192 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.422 65.3 139.4 77.7 2.1 36.0 -26.3 73.3 32 32 X G < - 0 0 18 -5,-1.0 -1,-0.2 -6,-0.3 239,-0.1 0.121 61.9 -50.9 -67.6-176.0 34.9 -23.6 70.8 33 33 X P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.233 65.2-105.7 -61.6 145.9 36.6 -20.3 70.0 34 34 X P - 0 0 58 0, 0.0 -27,-1.5 0, 0.0 2,-0.4 -0.530 33.5-175.4 -79.8 136.3 37.5 -18.0 72.9 35 35 X V E -a 7 0A 2 -2,-0.3 2,-0.3 -11,-0.2 -27,-0.2 -0.997 4.6-165.2-126.9 133.0 35.6 -14.8 73.8 36 36 X S E -a 8 0A 27 -29,-2.9 -27,-3.3 -2,-0.4 2,-0.3 -0.840 15.5-126.2-115.2 158.4 36.5 -12.3 76.6 37 37 X b E -a 9 0A 21 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.783 16.9-172.0-113.8 142.0 34.5 -9.6 78.1 38 38 X I E -a 10 0A 27 -29,-2.3 -27,-2.4 -2,-0.3 2,-0.4 -0.874 18.7-138.7-122.5 155.9 34.9 -5.9 78.7 39 39 X K E +a 11 0A 71 -2,-0.3 2,-0.2 -29,-0.2 -27,-0.2 -0.981 29.1 152.9-124.9 131.4 32.6 -3.7 80.7 40 40 X R - 0 0 79 -29,-1.5 -23,-0.1 -2,-0.4 -2,-0.0 -0.817 42.2-125.7-138.3-175.5 31.3 -0.2 80.0 41 41 X D S S+ 0 0 109 -2,-0.2 -29,-0.1 1,-0.2 3,-0.1 0.632 83.5 26.3-110.3 -19.9 28.3 1.9 80.8 42 42 X S S > S- 0 0 34 -31,-0.2 4,-2.1 1,-0.1 -1,-0.2 -0.958 72.3-114.2-142.6 159.2 27.1 3.0 77.4 43 43 X P H > S+ 0 0 19 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.915 119.7 54.8 -52.3 -46.1 27.0 2.1 73.6 44 44 X I H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 105.6 52.0 -56.6 -43.7 29.2 5.2 73.0 45 45 X Q H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.892 111.0 47.1 -62.4 -40.2 31.7 3.9 75.5 46 46 X a H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.897 110.2 52.3 -64.4 -40.3 31.8 0.5 73.7 47 47 X I H X S+ 0 0 1 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.891 113.7 45.4 -61.0 -40.2 32.2 2.3 70.4 48 48 X Q H X S+ 0 0 72 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.928 109.6 53.3 -65.8 -49.6 35.2 4.2 72.0 49 49 X A H ><>S+ 0 0 1 -4,-2.8 5,-2.8 1,-0.2 6,-0.8 0.933 111.4 47.3 -50.5 -49.7 36.7 1.0 73.5 50 50 X I H ><5S+ 0 0 0 -4,-2.4 3,-1.3 4,-0.3 -1,-0.2 0.868 106.9 55.3 -61.2 -41.7 36.7 -0.7 70.1 51 51 X A H 3<5S+ 0 0 37 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.742 111.9 44.7 -69.3 -21.8 38.2 2.3 68.2 52 52 X E T <<5S- 0 0 94 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 -0.171 118.7-107.4-112.5 39.0 41.2 2.3 70.6 53 53 X N T < 5S+ 0 0 91 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.664 89.2 117.1 45.1 30.0 41.7 -1.5 70.6 54 54 X R S > - 0 0 10 -2,-0.4 4,-1.7 193,-0.2 3,-1.0 -0.325 46.9 -98.9 -60.4 156.4 20.8 -0.7 66.9 62 62 X G H 3> S+ 0 0 0 190,-0.3 4,-1.9 1,-0.3 5,-0.1 0.827 122.8 61.0 -52.2 -39.6 20.7 1.1 63.5 63 63 X G H 3> S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.877 109.7 40.3 -55.2 -40.9 20.8 4.5 65.3 64 64 X F H <> S+ 0 0 17 -3,-1.0 4,-3.0 2,-0.2 -1,-0.2 0.735 105.3 64.6 -88.1 -18.2 24.2 3.6 66.9 65 65 X I H X S+ 0 0 1 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.907 103.3 51.1 -60.6 -43.6 25.5 2.0 63.8 66 66 X Y H X S+ 0 0 18 -4,-1.9 4,-0.6 2,-0.2 3,-0.5 0.936 113.0 43.5 -55.9 -52.3 25.3 5.5 62.3 67 67 X E H >< S+ 0 0 35 -4,-1.2 3,-1.5 1,-0.2 7,-0.2 0.930 111.4 55.2 -59.7 -45.5 27.2 7.0 65.3 68 68 X A H 3< S+ 0 0 0 -4,-3.0 7,-2.6 1,-0.3 -1,-0.2 0.731 102.8 57.1 -62.6 -24.8 29.8 4.2 65.2 69 69 X G H 3< S+ 0 0 15 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.610 89.3 93.4 -86.5 -14.6 30.5 4.8 61.5 70 70 X L S -I 228 0D 85 106,-0.5 3,-0.7 -2,-0.3 2,-0.3 -0.621 41.6-109.8 -81.2 144.8 -4.6 0.5 73.1 101 101 X K T 3 S+ 0 0 91 126,-3.1 3,-0.1 -2,-0.3 -1,-0.1 -0.580 96.1 58.1 -65.6 134.1 -7.9 -0.5 71.6 102 102 X G T 3 S+ 0 0 80 1,-0.5 2,-0.2 -2,-0.3 -1,-0.2 0.334 80.1 93.6 125.4 -6.9 -10.6 2.0 72.6 103 103 X G < - 0 0 32 -3,-0.7 -1,-0.5 2,-0.1 -4,-0.0 -0.715 58.0-147.7-111.1 165.8 -9.4 5.4 71.4 104 104 X S + 0 0 107 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.570 55.2 119.7-108.1 -12.7 -10.1 7.2 68.1 105 105 X F - 0 0 42 1,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.127 44.5-156.9 -64.0 150.8 -6.9 9.2 67.5 106 106 X Q > - 0 0 37 125,-0.1 3,-1.9 131,-0.0 125,-0.1 -0.596 39.8 -83.3-117.5 179.6 -4.8 8.6 64.5 107 107 X L T 3 S+ 0 0 11 125,-0.5 3,-0.4 1,-0.3 -2,-0.1 0.773 129.1 49.7 -58.1 -27.5 -1.1 9.2 63.7 108 108 X N T 3 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.475 101.9 63.0 -90.0 -2.5 -1.8 12.8 62.8 109 109 X E < + 0 0 106 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.214 68.0 111.5-112.9 39.8 -3.7 13.5 66.1 110 110 X L > + 0 0 0 -3,-0.4 3,-1.8 2,-0.1 -1,-0.2 0.525 37.8 121.8 -94.8 -8.9 -0.9 12.8 68.5 111 111 X Q T 3 S+ 0 0 141 1,-0.3 43,-0.2 -3,-0.2 3,-0.1 -0.288 83.0 9.5 -61.9 138.6 -0.3 16.3 69.8 112 112 X G T 3 S+ 0 0 41 41,-3.4 -1,-0.3 1,-0.2 42,-0.2 0.348 103.3 119.7 72.1 -7.0 -0.7 16.7 73.6 113 113 X L < - 0 0 41 -3,-1.8 42,-1.5 40,-0.2 43,-0.7 -0.255 67.8-105.4 -80.2 174.2 -0.8 12.9 73.9 114 114 X K E -j 156 0D 80 40,-0.2 92,-2.2 41,-0.2 93,-1.5 -0.859 34.3-155.9-108.7 142.2 1.7 10.9 75.9 115 115 X S E -jk 157 207D 0 41,-2.0 43,-1.8 -2,-0.4 2,-0.5 -0.912 15.8-156.8-127.9 144.2 4.5 8.7 74.4 116 116 X c E -jk 158 208D 0 91,-3.4 93,-2.7 -2,-0.4 2,-0.3 -0.961 20.8-177.7-112.0 119.1 6.7 5.8 75.2 117 117 X H E - 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0 0 31 -5,-0.4 197,-0.3 1,-0.1 -1,-0.2 -0.670 27.8-153.7 -83.5 130.6 10.6 23.0 64.6 140 140 X T - 0 0 109 -2,-0.4 -1,-0.1 1,-0.2 196,-0.1 0.705 41.1-119.8 -73.5 -24.5 12.6 26.1 63.7 141 141 X G > + 0 0 1 3,-0.3 3,-1.1 194,-0.1 -1,-0.2 -0.347 55.6 4.7 102.9 171.3 15.8 24.0 62.9 142 142 X P T 3 S+ 0 0 67 0, 0.0 193,-0.0 0, 0.0 191,-0.0 -0.158 102.9 49.5 -50.9 157.1 19.2 24.3 64.6 143 143 X P T 3 S+ 0 0 135 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.996 108.2 68.1 -80.6 -5.6 20.6 25.7 66.8 144 144 X E S < S- 0 0 52 -3,-1.1 -3,-0.3 1,-0.1 5,-0.1 -0.629 92.2-120.2 -76.3 122.4 17.6 24.5 68.9 145 145 X P >> - 0 0 52 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.233 15.4-120.5 -62.1 149.9 17.7 20.7 69.2 146 146 X I H 3> S+ 0 0 7 186,-0.3 4,-1.8 1,-0.2 5,-0.2 0.735 108.7 74.3 -63.3 -22.1 14.7 18.8 67.8 147 147 X E H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 91.2 55.0 -53.2 -45.3 14.2 17.4 71.3 148 148 X A H <> S+ 0 0 18 -3,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.900 106.1 52.4 -58.4 -43.6 12.9 20.8 72.5 149 149 X A H X S+ 0 0 1 -4,-0.8 4,-0.6 1,-0.2 -1,-0.2 0.874 111.5 44.5 -57.9 -42.8 10.3 20.6 69.6 150 150 X V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.799 105.1 63.7 -77.1 -25.3 9.1 17.1 70.7 151 151 X A H < S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 108.6 41.2 -63.1 -34.7 9.1 18.3 74.4 152 152 X R H < S+ 0 0 138 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.602 112.6 57.9 -84.0 -15.6 6.4 20.8 73.4 153 153 X F H < S+ 0 0 11 -4,-0.6 -41,-3.4 -3,-0.2 2,-0.3 0.929 105.1 42.0 -85.1 -53.0 4.5 18.3 71.2 154 154 X F S < S- 0 0 3 -4,-2.1 -40,-0.2 -43,-0.2 3,-0.1 -0.766 78.6-135.4 -89.2 145.3 3.7 15.4 73.5 155 155 X S S S- 0 0 47 -42,-1.5 2,-0.3 -2,-0.3 -41,-0.2 0.871 86.1 -1.8 -67.2 -35.1 2.5 16.4 77.0 156 156 X A E S+j 114 0D 0 -43,-0.7 -41,-2.0 14,-0.1 2,-0.3 -0.985 71.0 176.7-156.4 148.4 4.7 13.8 78.7 157 157 X S E -j 115 0D 0 12,-2.0 16,-2.0 -2,-0.3 17,-0.5 -0.974 30.0-137.8-147.9 154.9 7.2 11.1 77.5 158 158 X d E +j 116 0D 1 -43,-1.8 -41,-2.3 -2,-0.3 13,-0.2 -0.976 32.2 163.3-110.5 113.9 9.7 8.5 78.5 159 159 X V > - 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