==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 04-JUL-12 2LVF . COMPND 2 MOLECULE: 2S ALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BERTHOLLETIA EXCELSA; . AUTHOR L.RUNDQVIST,T.TENGEL,J.ZDUNEK,J.SCHLEUCHER,M.J.ALCOCER,G.LAR . 114 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 0 0 1 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E 0 0 152 0, 0.0 106,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 103.5 0.0 43.5 -6.8 2 2 A A > - 0 0 33 104,-0.6 3,-2.0 1,-0.1 4,-0.2 -0.335 360.0-123.6 -66.8 147.8 -1.2 44.2 -10.4 3 3 A E T > S+ 0 0 147 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.761 110.5 69.5 -62.6 -24.6 -4.2 46.5 -10.8 4 4 A A T >> + 0 0 44 1,-0.3 3,-1.1 2,-0.2 4,-1.1 0.512 69.0 99.1 -72.2 -2.7 -5.9 43.6 -12.6 5 5 A Q H <> S+ 0 0 31 -3,-2.0 4,-3.1 1,-0.3 3,-0.4 0.852 71.1 65.9 -51.0 -37.5 -6.1 41.8 -9.3 6 6 A E H <> S+ 0 0 126 -3,-1.2 4,-3.4 1,-0.3 5,-0.3 0.896 95.9 54.8 -53.4 -43.5 -9.7 43.0 -9.1 7 7 A E H <> S+ 0 0 64 -3,-1.1 4,-2.0 -4,-0.2 -1,-0.3 0.895 113.0 43.7 -56.9 -41.1 -10.6 40.8 -12.0 8 8 A a H X S+ 0 0 4 -4,-1.1 4,-2.0 -3,-0.4 -2,-0.2 0.976 115.5 44.7 -68.8 -57.5 -9.1 37.9 -10.2 9 9 A R H X S+ 0 0 129 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.896 114.6 51.0 -54.2 -43.8 -10.6 38.6 -6.7 10 10 A E H >X S+ 0 0 98 -4,-3.4 3,-1.0 -5,-0.3 4,-0.8 0.938 109.0 50.1 -59.7 -48.7 -14.0 39.3 -8.4 11 11 A Q H 3X S+ 0 0 35 -4,-2.0 4,-2.4 -5,-0.3 3,-0.4 0.826 96.5 71.9 -59.5 -34.0 -13.9 36.1 -10.3 12 12 A M H 3< S+ 0 0 17 -4,-2.0 5,-0.3 1,-0.2 -1,-0.2 0.875 92.4 56.1 -51.4 -40.7 -13.1 34.2 -7.0 13 13 A Q H << S+ 0 0 103 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.933 106.9 49.2 -58.2 -44.1 -16.7 34.8 -5.8 14 14 A R H < S+ 0 0 180 -4,-0.8 2,-2.5 -3,-0.4 -1,-0.2 0.914 98.8 72.3 -59.0 -42.4 -17.9 33.1 -9.0 15 15 A Q >< + 0 0 12 -4,-2.4 2,-1.1 1,-0.2 3,-0.5 -0.475 62.7 169.9 -75.8 76.1 -15.5 30.3 -8.2 16 16 A Q T >> + 0 0 123 -2,-2.5 3,-1.5 1,-0.2 4,-0.6 -0.171 28.0 133.2 -81.9 42.1 -17.6 29.1 -5.3 17 17 A M H 3> + 0 0 10 -2,-1.1 4,-4.0 -5,-0.3 -1,-0.2 0.756 54.1 76.8 -64.4 -25.8 -15.3 26.0 -5.2 18 18 A L H <> S+ 0 0 19 -3,-0.5 4,-3.3 1,-0.2 -1,-0.3 0.746 86.8 61.8 -58.6 -23.9 -15.0 26.4 -1.5 19 19 A S H <> S+ 0 0 53 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.980 116.2 28.5 -65.8 -53.8 -18.5 24.9 -1.2 20 20 A H H X S+ 0 0 47 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.860 121.5 56.6 -72.1 -35.9 -17.4 21.6 -2.8 21 21 A b H X S+ 0 0 8 -4,-4.0 4,-2.0 2,-0.2 -2,-0.2 0.935 106.5 48.3 -61.1 -46.4 -13.9 22.2 -1.4 22 22 A R H X S+ 0 0 70 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.940 110.1 52.3 -58.7 -45.4 -15.4 22.5 2.1 23 23 A M H X S+ 0 0 97 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.892 105.0 56.9 -56.5 -38.8 -17.3 19.3 1.4 24 24 A Y H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.912 103.2 53.0 -58.9 -43.7 -13.9 17.8 0.4 25 25 A M H X S+ 0 0 15 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.962 111.9 44.4 -56.7 -50.4 -12.5 18.7 3.8 26 26 A R H X S+ 0 0 131 -4,-2.2 4,-2.1 1,-0.3 3,-0.3 0.913 110.5 56.4 -59.4 -39.8 -15.4 16.8 5.4 27 27 A Q H X S+ 0 0 35 -4,-3.1 4,-4.5 1,-0.3 -1,-0.3 0.890 100.3 58.0 -59.1 -37.6 -14.8 14.1 2.9 28 28 A Q H < S+ 0 0 5 -4,-2.6 4,-0.4 2,-0.2 -1,-0.3 0.915 104.2 52.8 -59.5 -39.4 -11.3 13.9 4.1 29 29 A M H >< S+ 0 0 34 -4,-1.6 3,-1.0 -3,-0.3 -2,-0.2 0.972 118.9 32.8 -59.7 -55.6 -12.7 13.2 7.6 30 30 A E H >< S+ 0 0 93 -4,-2.1 3,-1.0 1,-0.3 -2,-0.2 0.915 118.1 55.0 -66.2 -42.6 -14.9 10.3 6.3 31 31 A E T 3X S+ 0 0 12 -4,-4.5 4,-3.4 1,-0.3 -1,-0.3 0.501 72.8 111.2 -68.0 -4.2 -12.3 9.4 3.7 32 32 A S T <4 S+ 0 0 44 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.733 79.0 52.3 -43.9 -22.8 -9.8 9.1 6.5 33 33 A T T <4 S+ 0 0 91 -3,-1.0 3,-0.3 1,-0.1 -1,-0.2 0.958 127.4 15.3 -77.5 -59.3 -9.9 5.4 5.7 34 34 A Y T 4 S+ 0 0 185 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.281 81.7 129.2 -99.5 5.4 -9.2 5.6 1.9 35 35 A Q < + 0 0 39 -4,-3.4 2,-0.6 -7,-0.2 -1,-0.2 0.734 43.2 106.2 -33.6 -31.3 -7.8 9.2 1.7 36 36 A T S S- 0 0 106 -3,-0.3 -1,-0.0 -5,-0.2 -3,-0.0 -0.393 81.2-128.2 -59.1 106.8 -4.9 7.7 -0.1 37 37 A M - 0 0 52 -2,-0.6 2,-0.2 1,-0.1 5,-0.1 -0.426 23.2-144.4 -61.4 115.0 -5.7 8.9 -3.6 38 38 A P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.568 12.4-132.6 -83.1 144.9 -5.5 5.8 -5.9 39 39 A R S S+ 0 0 229 -2,-0.2 2,-1.1 1,-0.1 3,-0.5 0.892 91.1 85.3 -61.7 -39.8 -4.2 6.0 -9.5 40 40 A R S S- 0 0 219 1,-0.3 -1,-0.1 -3,-0.0 0, 0.0 -0.517 122.1 -32.0 -69.6 99.8 -7.2 4.1 -10.7 41 41 A G S S- 0 0 69 -2,-1.1 -1,-0.3 -4,-0.1 -2,-0.1 0.969 82.4-132.6 51.0 85.5 -9.8 6.8 -11.1 42 42 A M - 0 0 95 -3,-0.5 -3,-0.1 1,-0.2 -5,-0.0 0.030 40.0 -69.1 -56.5 171.5 -8.9 9.4 -8.4 43 43 A E >> - 0 0 27 1,-0.1 4,-1.0 -8,-0.1 3,-0.8 -0.493 37.4-145.8 -68.9 127.6 -11.6 10.8 -6.1 44 44 A P H 3> S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.752 91.1 77.2 -64.8 -25.1 -14.0 13.1 -8.1 45 45 A H H 3> S+ 0 0 55 1,-0.2 4,-1.0 2,-0.2 -21,-0.2 0.910 97.8 43.8 -52.4 -45.4 -14.4 15.3 -5.0 46 46 A M H <> S+ 0 0 2 -3,-0.8 4,-1.8 1,-0.2 3,-0.3 0.910 110.0 56.3 -66.1 -42.7 -11.0 16.8 -5.7 47 47 A S H X S+ 0 0 57 -4,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.811 96.5 66.5 -58.5 -33.1 -11.7 17.1 -9.4 48 48 A E H X S+ 0 0 83 -4,-2.2 4,-0.6 1,-0.2 3,-0.5 0.954 107.8 36.8 -55.3 -53.4 -14.8 19.2 -8.5 49 49 A b H >X S+ 0 0 2 -4,-1.0 4,-1.4 -3,-0.3 3,-0.8 0.826 106.4 71.7 -68.2 -31.7 -12.8 22.1 -7.2 50 50 A c H 3X S+ 0 0 10 -4,-1.8 4,-2.8 1,-0.3 -1,-0.2 0.870 91.3 57.0 -51.2 -44.0 -10.1 21.5 -9.9 51 51 A E H 3X S+ 0 0 107 -4,-1.6 4,-2.1 -3,-0.5 -1,-0.3 0.865 101.7 57.4 -58.3 -37.7 -12.5 22.8 -12.6 52 52 A Q H < S+ 0 0 8 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.959 116.9 53.4 -60.4 -49.8 -9.1 26.9 -10.7 54 54 A E H 3< S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 112.1 44.9 -53.8 -32.1 -8.8 25.4 -14.1 55 55 A G H 3< S+ 0 0 44 -4,-2.1 -1,-0.3 -5,-0.2 2,-0.3 0.605 100.6 89.5 -88.3 -13.9 -11.6 27.8 -15.1 56 56 A M S << S- 0 0 9 -3,-1.2 5,-0.2 -4,-1.0 -48,-0.1 -0.628 93.9 -94.6 -86.0 142.0 -9.9 30.7 -13.2 57 57 A D > - 0 0 74 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.171 33.4-120.6 -52.7 144.8 -7.3 32.9 -15.0 58 58 A E H >> S+ 0 0 59 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.954 114.4 44.3 -53.8 -57.3 -3.8 31.7 -14.6 59 59 A S H 3> S+ 0 0 48 1,-0.3 4,-0.9 2,-0.2 3,-0.3 0.854 116.2 49.8 -56.6 -34.6 -2.5 34.9 -13.0 60 60 A a H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.732 97.3 70.2 -74.9 -25.2 -5.7 34.8 -10.9 61 61 A R H S+ 0 0 44 -2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.924 87.3 22.5 -90.4 -73.7 -4.1 17.9 14.2 82 82 A E H > S+ 0 0 119 2,-0.2 4,-1.3 3,-0.1 -2,-0.0 0.893 126.0 50.2 -62.4 -44.9 -2.8 14.5 12.9 83 83 A Q H >> S+ 0 0 46 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.989 118.3 34.2 -59.7 -65.1 -5.8 13.8 10.6 84 84 A M H 3> S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.801 106.3 72.6 -62.3 -30.0 -5.9 17.1 8.7 85 85 A R H >X S+ 0 0 132 -4,-1.8 3,-1.0 1,-0.3 4,-0.6 0.927 98.5 47.8 -51.3 -45.7 -2.1 17.4 8.9 86 86 A R H XX S+ 0 0 158 -4,-1.3 4,-1.2 -3,-0.7 3,-0.9 0.880 102.5 64.2 -61.0 -38.3 -1.9 14.6 6.3 87 87 A M H 3X S+ 0 0 10 -4,-1.0 4,-3.8 1,-0.2 -1,-0.3 0.787 85.2 76.0 -55.5 -30.6 -4.5 16.5 4.3 88 88 A M H < S+ 0 0 39 -4,-3.8 3,-0.6 1,-0.2 -1,-0.2 0.943 106.2 47.3 -55.3 -51.8 -4.5 19.9 -0.4 92 92 A E H 3X S+ 0 0 129 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.801 108.1 58.5 -60.0 -30.6 -1.4 21.0 -2.5 93 93 A N H 3X S+ 0 0 84 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.847 93.3 66.5 -69.3 -34.9 -2.1 18.1 -4.8 94 94 A I H S+ 0 0 14 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.749 109.3 66.3 -70.7 -23.8 -4.4 22.4 -7.4 96 96 A S H < S+ 0 0 53 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.913 95.3 58.3 -61.9 -41.4 -1.4 20.5 -8.8 97 97 A R H < S+ 0 0 78 -4,-2.1 -1,-0.3 -3,-0.3 -3,-0.1 0.815 118.8 29.2 -56.6 -35.3 -3.8 18.5 -10.8 98 98 A c H < S+ 0 0 10 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.510 95.7 123.7-102.3 -11.1 -5.1 21.7 -12.4 99 99 A N < - 0 0 75 -4,-1.8 2,-0.3 -5,-0.1 -3,-0.1 -0.083 39.4-172.2 -55.0 152.1 -1.8 23.5 -12.2 100 100 A L - 0 0 60 -42,-0.1 -2,-0.1 0, 0.0 -1,-0.0 -0.987 43.7 -70.9-151.0 139.3 -0.3 24.7 -15.3 101 101 A S - 0 0 102 -2,-0.3 2,-0.6 1,-0.1 -43,-0.0 -0.003 57.0-151.0 -33.9 96.5 3.0 26.3 -16.3 102 102 A P - 0 0 42 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.692 14.7-167.3 -82.7 117.9 2.5 29.7 -14.6 103 103 A M S S- 0 0 138 -2,-0.6 2,-0.3 1,-0.3 11,-0.2 0.981 70.4 -13.8 -68.1 -57.6 4.3 32.5 -16.3 104 104 A R - 0 0 92 9,-0.2 -1,-0.3 10,-0.1 -42,-0.1 -0.988 54.7-144.6-151.0 140.3 3.9 35.1 -13.6 105 105 A d > - 0 0 1 -2,-0.3 5,-2.0 -3,-0.2 -46,-0.1 -0.904 10.5-150.2-107.2 111.1 1.8 35.5 -10.4 106 106 A P T > 5 + 0 0 20 0, 0.0 2,-1.6 0, 0.0 3,-0.7 0.427 63.4 121.1 -58.7 5.3 0.8 39.1 -9.7 107 107 A M T 3 5S- 0 0 30 1,-0.3 -2,-0.1 -106,-0.2 -47,-0.0 -0.571 103.1 -25.4 -76.8 90.3 0.8 38.1 -6.1 108 108 A G T 3 5S- 0 0 69 -2,-1.6 -1,-0.3 1,-0.1 -3,-0.0 0.763 114.7 -71.6 75.6 26.9 3.4 40.6 -4.8 109 109 A G T < 5 - 0 0 39 -3,-0.7 -1,-0.1 1,-0.1 -2,-0.1 0.976 65.2-140.9 52.5 68.0 4.9 40.9 -8.3 110 110 A S < - 0 0 16 -5,-2.0 -2,-0.1 1,-0.1 -1,-0.1 -0.107 9.1-151.7 -54.7 155.7 6.6 37.5 -8.4 111 111 A I S S+ 0 0 165 -7,-0.0 3,-0.1 2,-0.0 -1,-0.1 0.870 71.6 25.5 -94.3 -78.6 10.0 37.3 -10.0 112 112 A A S S- 0 0 76 1,-0.2 2,-1.6 2,-0.1 0, 0.0 0.094 121.7 -54.0 -69.5-166.9 10.7 33.9 -11.5 113 113 A G 0 0 51 1,-0.2 -9,-0.2 -9,-0.1 -1,-0.2 -0.594 360.0 360.0 -77.0 95.9 7.8 31.7 -12.6 114 114 A F 0 0 129 -2,-1.6 -1,-0.2 -11,-0.2 -11,-0.1 0.852 360.0 360.0 -39.3 360.0 6.0 31.8 -9.3