==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 29-NOV-11 2LM9 . COMPND 2 MOLECULE: BLO T 21 ALLERGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BLOMIA TROPICALIS; . AUTHOR K.W.TAN,Y.K.MOK . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 85.4 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 . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 79.2 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 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 18 A N > 0 0 143 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -72.7 11.6 12.1 1.7 2 19 A T H > + 0 0 67 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.893 360.0 49.8 -66.4 -40.6 12.4 9.5 -1.0 3 20 A A H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 111.7 48.0 -65.9 -43.1 10.5 6.7 0.7 4 21 A T H > S+ 0 0 74 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.883 109.2 51.8 -69.5 -38.2 7.4 8.7 1.2 5 22 A Q H < S+ 0 0 131 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.915 110.5 52.2 -62.5 -39.7 7.3 10.0 -2.4 6 23 A R H >< S+ 0 0 153 -4,-1.9 3,-0.7 1,-0.2 4,-0.2 0.908 116.7 35.8 -62.6 -45.3 7.6 6.4 -3.5 7 24 A F H 3X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 3,-0.3 0.397 89.9 91.8 -99.4 10.7 4.7 5.1 -1.4 8 25 A H H 3X S+ 0 0 83 -4,-0.8 4,-1.9 -3,-0.5 -1,-0.2 0.719 77.8 69.2 -69.2 -19.0 2.6 8.2 -1.8 9 26 A E H <> S+ 0 0 106 -3,-0.7 4,-1.6 -4,-0.3 -1,-0.2 0.946 103.9 38.9 -64.7 -45.1 1.2 6.3 -4.8 10 27 A I H > S+ 0 0 5 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.836 110.0 61.8 -74.1 -33.5 -0.5 3.8 -2.4 11 28 A E H X S+ 0 0 95 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.863 102.0 51.7 -59.8 -36.2 -1.3 6.7 -0.1 12 29 A K H X S+ 0 0 102 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.922 109.5 50.0 -64.3 -44.5 -3.4 8.2 -3.0 13 30 A F H X S+ 0 0 56 -4,-1.6 4,-3.6 2,-0.2 5,-0.3 0.899 106.8 56.2 -58.9 -40.9 -5.1 4.8 -3.2 14 31 A L H X S+ 0 0 26 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.936 111.8 40.8 -58.1 -47.9 -5.7 4.9 0.6 15 32 A L H X S+ 0 0 114 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.911 118.0 48.8 -69.6 -37.2 -7.5 8.2 0.4 16 33 A H H X S+ 0 0 88 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.943 112.6 46.9 -65.2 -48.2 -9.3 7.1 -2.8 17 34 A I H X S+ 0 0 0 -4,-3.6 4,-2.1 2,-0.2 -2,-0.2 0.895 110.8 50.4 -67.2 -40.7 -10.4 3.7 -1.4 18 35 A T H X S+ 0 0 59 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.938 113.9 46.5 -62.3 -43.8 -11.7 5.1 1.9 19 36 A H H X S+ 0 0 120 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.908 111.1 52.5 -60.3 -45.7 -13.7 7.7 -0.1 20 37 A E H X S+ 0 0 55 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.825 105.2 55.3 -62.1 -32.9 -14.9 5.0 -2.4 21 38 A V H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.968 111.9 42.8 -63.1 -49.8 -16.0 3.0 0.6 22 39 A D H X S+ 0 0 93 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.914 115.0 51.1 -61.8 -44.0 -18.1 5.9 1.8 23 40 A D H >X S+ 0 0 46 -4,-3.1 4,-1.9 1,-0.2 3,-0.8 0.949 111.8 44.8 -60.6 -47.9 -19.3 6.5 -1.7 24 41 A L H 3X S+ 0 0 6 -4,-3.1 4,-3.2 1,-0.3 -1,-0.2 0.881 107.4 60.2 -68.3 -34.7 -20.4 3.0 -2.3 25 42 A E H 3< S+ 0 0 88 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.808 118.7 29.1 -61.8 -30.0 -22.0 2.9 1.1 26 43 A K H << S+ 0 0 158 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.605 125.0 48.5-103.7 -13.5 -24.3 5.7 0.1 27 44 A T H < S- 0 0 82 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.846 133.3 -55.2 -94.2 -41.6 -24.4 5.0 -3.6 28 45 A G < - 0 0 33 -4,-3.2 -3,-0.1 -5,-0.2 -4,-0.1 0.187 42.5-162.8-164.1 -68.4 -25.1 1.2 -3.7 29 46 A N + 0 0 52 1,-0.0 5,-0.1 -8,-0.0 -4,-0.1 0.546 54.7 124.9 75.7 13.2 -22.7 -1.1 -1.7 30 47 A K S S- 0 0 167 -6,-0.2 -1,-0.0 1,-0.1 -5,-0.0 0.925 95.4 -27.8 -67.9 -50.3 -24.1 -3.9 -3.9 31 48 A D S > S+ 0 0 112 2,-0.1 4,-2.4 -7,-0.0 5,-0.2 0.395 121.7 86.3-146.7 -18.3 -20.9 -5.3 -5.3 32 49 A E H > S+ 0 0 44 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.833 85.0 62.0 -60.6 -35.5 -18.6 -2.3 -5.3 33 50 A K H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.944 108.9 39.0 -58.6 -51.0 -17.6 -3.0 -1.8 34 51 A A H > S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.911 117.5 50.7 -66.6 -43.6 -16.2 -6.4 -2.7 35 52 A R H X S+ 0 0 129 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.917 108.7 51.5 -61.0 -44.9 -14.7 -5.0 -5.9 36 53 A L H X S+ 0 0 4 -4,-3.5 4,-1.7 1,-0.2 -1,-0.2 0.883 106.6 53.6 -63.9 -37.4 -13.1 -2.1 -4.1 37 54 A L H X S+ 0 0 3 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.860 105.7 54.4 -64.6 -33.1 -11.5 -4.4 -1.5 38 55 A R H X S+ 0 0 172 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.848 103.0 56.8 -69.7 -29.8 -10.0 -6.3 -4.4 39 56 A E H X S+ 0 0 39 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.881 106.0 48.5 -68.6 -35.9 -8.5 -3.1 -5.6 40 57 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.853 107.3 57.2 -70.3 -30.6 -6.7 -2.7 -2.3 41 58 A T H X S+ 0 0 42 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.901 108.4 45.2 -62.7 -40.7 -5.6 -6.2 -2.8 42 59 A V H X S+ 0 0 85 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.920 110.9 55.9 -66.4 -40.2 -4.1 -5.1 -6.1 43 60 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 108.3 44.9 -59.3 -48.8 -2.7 -2.1 -4.2 44 61 A E H X S+ 0 0 25 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.844 108.6 62.0 -64.3 -30.4 -0.9 -4.2 -1.7 45 62 A A H X S+ 0 0 58 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.917 107.2 39.2 -65.2 -44.8 0.3 -6.5 -4.5 46 63 A F H X S+ 0 0 86 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.895 117.7 49.0 -76.6 -34.8 2.3 -3.8 -6.3 47 64 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.901 109.1 53.0 -68.2 -36.4 3.6 -2.3 -3.2 48 65 A E H X S+ 0 0 105 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 109.3 50.4 -64.5 -37.9 4.7 -5.7 -1.9 49 66 A G H X S+ 0 0 48 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.919 110.5 48.1 -63.8 -42.8 6.5 -6.2 -5.1 50 67 A S H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.850 109.2 54.2 -68.4 -31.2 8.3 -2.9 -4.8 51 68 A R H X S+ 0 0 56 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.917 106.4 51.3 -66.4 -40.5 9.1 -3.8 -1.2 52 69 A G H X S+ 0 0 16 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.807 106.1 56.9 -62.8 -27.7 10.6 -6.9 -2.5 53 70 A Y H X S+ 0 0 124 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.921 105.9 48.0 -71.0 -41.9 12.6 -4.7 -4.9 54 71 A F H X S+ 0 0 19 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.896 107.7 55.8 -65.1 -39.7 14.1 -2.7 -2.0 55 72 A Q H < S+ 0 0 77 -4,-2.2 4,-0.4 2,-0.2 -1,-0.3 0.835 108.9 48.7 -59.1 -35.8 14.9 -6.0 -0.3 56 73 A R H >X S+ 0 0 165 -4,-1.3 3,-1.4 2,-0.2 4,-0.5 0.921 109.4 50.4 -69.9 -43.7 16.8 -6.9 -3.5 57 74 A E H >< S+ 0 0 29 -4,-2.5 3,-0.7 1,-0.3 4,-0.4 0.816 100.2 64.8 -64.0 -29.4 18.6 -3.5 -3.6 58 75 A L T 3< S+ 0 0 42 -4,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.766 110.7 38.0 -60.2 -25.2 19.6 -4.1 0.0 59 76 A K T <4 S+ 0 0 143 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.454 93.1 92.7-102.4 -6.8 21.6 -7.1 -1.4 60 77 A R S << S- 0 0 132 -3,-0.7 2,-0.9 -4,-0.5 -2,-0.2 0.675 76.8-146.9 -66.0 -22.9 22.7 -5.1 -4.5 61 78 A T S S+ 0 0 123 -4,-0.4 2,-2.1 -3,-0.2 -1,-0.2 -0.065 80.3 97.2 73.3 -32.7 26.0 -3.9 -2.9 62 79 A D + 0 0 102 -2,-0.9 2,-0.3 -5,-0.1 -1,-0.1 -0.564 67.9 89.8 -83.3 67.9 25.4 -0.8 -5.1 63 80 A L - 0 0 33 -2,-2.1 2,-0.3 -5,-0.1 -5,-0.0 -0.930 64.4-145.3-155.1 153.2 23.9 1.0 -2.2 64 81 A D > - 0 0 89 -2,-0.3 4,-2.7 1,-0.0 3,-0.2 -0.656 44.3 -92.7-111.0 173.0 25.2 3.1 0.5 65 82 A L H > S+ 0 0 136 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.829 129.8 61.7 -55.4 -30.0 24.0 3.2 4.0 66 83 A L H > S+ 0 0 93 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.940 106.5 41.5 -57.7 -50.0 21.9 6.1 2.6 67 84 A E H > S+ 0 0 75 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.890 112.2 54.3 -71.8 -37.1 20.2 3.8 0.2 68 85 A K H X S+ 0 0 90 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.903 106.8 53.0 -59.4 -39.8 19.9 1.1 2.9 69 86 A F H X S+ 0 0 147 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.836 107.5 51.8 -65.1 -32.5 18.2 3.8 4.9 70 87 A N H X S+ 0 0 36 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.855 110.6 47.3 -72.2 -36.8 15.8 4.4 2.0 71 88 A F H X S+ 0 0 6 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.952 115.3 44.9 -71.1 -45.9 14.9 0.7 1.8 72 89 A E H X S+ 0 0 109 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.848 115.0 49.7 -64.1 -33.3 14.4 0.6 5.5 73 90 A A H X S+ 0 0 28 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.958 116.0 40.7 -71.7 -44.8 12.5 3.8 5.3 74 91 A A H X S+ 0 0 1 -4,-3.1 4,-3.5 2,-0.2 5,-0.3 0.880 112.5 55.0 -70.6 -39.1 10.3 2.6 2.5 75 92 A L H X S+ 0 0 25 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.906 111.6 45.0 -61.9 -39.0 9.9 -0.9 3.9 76 93 A A H X S+ 0 0 53 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.890 115.7 47.1 -71.3 -37.5 8.7 0.6 7.1 77 94 A T H X S+ 0 0 45 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.947 116.5 43.2 -68.5 -46.5 6.4 3.0 5.3 78 95 A G H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.866 111.4 54.1 -67.9 -39.6 5.0 0.3 3.0 79 96 A D H X S+ 0 0 42 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.934 109.3 47.4 -63.3 -46.2 4.6 -2.2 5.8 80 97 A L H X S+ 0 0 118 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.917 115.9 42.6 -63.9 -45.7 2.5 0.1 7.9 81 98 A L H X S+ 0 0 18 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.808 112.4 54.8 -71.0 -28.2 0.2 1.2 5.2 82 99 A L H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.895 109.8 47.4 -69.9 -37.0 0.0 -2.4 3.9 83 100 A K H X S+ 0 0 110 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.845 110.9 52.2 -65.9 -33.4 -1.0 -3.3 7.4 84 101 A D H X S+ 0 0 71 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.895 104.6 55.5 -72.4 -39.0 -3.4 -0.4 7.1 85 102 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.934 112.7 42.2 -54.8 -49.9 -4.8 -1.7 3.8 86 103 A K H X S+ 0 0 76 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.884 114.0 52.2 -68.2 -36.0 -5.6 -5.0 5.5 87 104 A A H X S+ 0 0 53 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.929 114.0 41.4 -68.8 -43.2 -6.9 -3.3 8.6 88 105 A L H X S+ 0 0 2 -4,-3.1 4,-3.3 2,-0.2 5,-0.2 0.871 111.8 59.0 -70.7 -34.5 -9.3 -1.1 6.7 89 106 A Q H X S+ 0 0 30 -4,-2.2 4,-3.3 -5,-0.3 -2,-0.2 0.924 105.0 48.4 -59.2 -46.8 -10.1 -4.1 4.5 90 107 A K H X S+ 0 0 124 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.829 112.1 50.2 -63.9 -31.7 -11.2 -6.0 7.6 91 108 A R H X S+ 0 0 149 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.949 115.9 40.4 -68.0 -48.0 -13.3 -2.9 8.5 92 109 A V H X S+ 0 0 5 -4,-3.3 4,-0.8 1,-0.2 -2,-0.2 0.912 115.1 52.7 -67.4 -39.7 -14.9 -2.7 5.2 93 110 A Q H < S+ 0 0 94 -4,-3.3 3,-0.3 -5,-0.2 -1,-0.2 0.810 107.9 54.2 -60.3 -33.3 -15.2 -6.5 5.0 94 111 A D H < S+ 0 0 131 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 99.6 58.3 -76.1 -32.8 -16.9 -6.3 8.3 95 112 A S H < 0 0 67 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.712 360.0 360.0 -68.0 -24.5 -19.5 -3.8 7.1 96 113 A E < 0 0 132 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.999 360.0 360.0 -62.1 360.0 -20.5 -6.4 4.5