==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 05-JUL-12 2LVJ . COMPND 2 MOLECULE: POLCALCIN PHL P 7; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR M.T.HENZL,J.J.TANNER . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 63.6 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 . 2 2.6 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 . 3 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 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 . 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 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 A 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.5 2.5 -1.6 -0.1 2 2 A D > - 0 0 95 1,-0.1 4,-0.6 2,-0.0 0, 0.0 -0.780 360.0-150.2-104.7 148.1 1.7 -3.9 -3.0 3 3 A D H >> S+ 0 0 81 -2,-0.3 4,-1.3 2,-0.2 3,-0.9 0.891 97.3 58.8 -80.4 -43.3 3.9 -4.8 -5.9 4 4 A M H 3> S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.749 97.1 66.7 -57.8 -23.3 1.1 -5.3 -8.5 5 5 A E H 3> S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.920 97.9 50.4 -64.7 -45.1 0.2 -1.7 -7.7 6 6 A R H X S+ 0 0 8 -4,-1.3 4,-1.2 1,-0.2 3,-0.5 0.912 110.8 57.2 -53.8 -46.6 3.1 -2.3 -12.5 8 8 A F H 3X S+ 0 0 21 -4,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.873 111.5 42.5 -53.1 -39.9 -0.6 -1.5 -12.7 9 9 A K H 3< S+ 0 0 113 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.693 98.2 78.1 -80.3 -19.9 0.3 2.2 -12.6 10 10 A R H << S+ 0 0 143 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.929 105.7 30.8 -53.7 -50.1 3.1 1.7 -15.0 11 11 A F H < S+ 0 0 20 -4,-1.2 2,-2.5 -3,-0.2 -1,-0.2 0.758 102.8 84.7 -80.5 -26.5 0.8 1.5 -18.0 12 12 A D >< + 0 0 24 -4,-0.9 3,-0.5 -5,-0.3 -1,-0.2 -0.425 46.7 137.1 -76.8 68.6 -1.7 3.9 -16.3 13 13 A T T 3 + 0 0 123 -2,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.273 61.7 65.5 -97.0 9.5 0.1 7.0 -17.5 14 14 A N T 3 S- 0 0 106 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.227 111.4-112.2-112.8 10.3 -3.1 8.7 -18.4 15 15 A G S < S+ 0 0 74 -3,-0.5 2,-0.2 1,-0.2 -2,-0.1 0.840 70.1 144.7 62.0 33.6 -4.5 8.9 -14.8 16 16 A D - 0 0 84 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.494 60.8-124.2 -98.5 170.3 -7.2 6.5 -15.7 17 17 A G S S+ 0 0 42 -2,-0.2 2,-0.3 -3,-0.1 39,-0.3 0.606 93.2 42.3 -88.6 -13.1 -8.8 3.7 -13.5 18 18 A K S S- 0 0 78 37,-0.1 2,-0.4 -7,-0.1 37,-0.2 -0.854 70.8-140.1-129.8 165.4 -8.0 1.0 -16.0 19 19 A I B -A 54 0A 3 35,-2.1 35,-1.0 -2,-0.3 2,-0.1 -0.988 31.8-100.5-131.1 137.8 -5.0 0.0 -18.3 20 20 A S > - 0 0 18 -2,-0.4 4,-0.6 33,-0.3 33,-0.2 -0.323 27.0-166.4 -56.1 121.9 -5.0 -1.3 -21.8 21 21 A L H > S+ 0 0 7 30,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.619 85.3 57.6 -85.5 -14.4 -4.5 -5.1 -21.7 22 22 A S H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.1 -1,-0.1 0.905 104.9 46.8 -81.1 -45.8 -3.7 -5.2 -25.4 23 23 A E H > S+ 0 0 93 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.763 105.7 65.1 -67.4 -25.0 -0.8 -2.8 -25.3 24 24 A L H >X S+ 0 0 8 -4,-0.6 4,-3.0 2,-0.2 3,-0.9 0.985 102.5 42.7 -61.0 -61.8 0.6 -4.7 -22.3 25 25 A T H 3< S+ 0 0 12 -4,-1.1 4,-0.4 1,-0.3 -1,-0.2 0.843 119.1 46.9 -54.2 -35.4 1.2 -8.0 -24.1 26 26 A D H 3< S+ 0 0 99 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.691 113.8 48.8 -79.9 -19.9 2.6 -6.0 -27.0 27 27 A A H XX S+ 0 0 34 -4,-1.3 3,-2.6 -3,-0.9 4,-0.9 0.809 93.1 72.6 -87.5 -34.3 4.7 -3.9 -24.6 28 28 A L H 3X>S+ 0 0 4 -4,-3.0 5,-2.1 1,-0.3 4,-0.5 0.759 83.3 74.5 -51.8 -24.8 6.1 -6.8 -22.6 29 29 A R H 345S+ 0 0 182 -4,-0.4 3,-0.5 1,-0.3 -1,-0.3 0.835 97.1 46.0 -58.3 -33.4 8.2 -7.4 -25.8 30 30 A T H <45S+ 0 0 115 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.756 102.6 63.7 -80.7 -26.3 10.3 -4.4 -24.8 31 31 A L H <5S- 0 0 69 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.549 120.3-107.8 -74.4 -6.5 10.6 -5.6 -21.2 32 32 A G T <5 + 0 0 65 -4,-0.5 2,-0.3 -3,-0.5 -3,-0.2 0.570 65.5 157.6 90.3 10.2 12.5 -8.6 -22.4 33 33 A S < - 0 0 26 -5,-2.1 3,-0.5 1,-0.1 -1,-0.3 -0.513 31.8-163.0 -72.4 131.8 9.6 -11.0 -21.8 34 34 A T S S+ 0 0 147 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.077 84.0 63.3-101.1 22.3 9.7 -14.2 -23.9 35 35 A S >> + 0 0 26 2,-0.1 4,-3.1 -7,-0.1 3,-0.8 0.097 55.5 123.5-130.3 19.1 6.0 -14.9 -23.2 36 36 A A H 3> S+ 0 0 24 -3,-0.5 4,-0.9 1,-0.3 -8,-0.1 0.761 80.9 51.0 -52.8 -25.1 4.4 -11.9 -24.9 37 37 A D H 3> S+ 0 0 115 2,-0.2 4,-0.7 1,-0.1 -1,-0.3 0.813 112.4 43.6 -82.4 -33.3 2.5 -14.5 -26.9 38 38 A E H <> S+ 0 0 85 -3,-0.8 4,-1.0 2,-0.2 -2,-0.2 0.809 111.2 54.5 -80.5 -32.2 1.3 -16.5 -23.9 39 39 A V H X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.829 99.2 62.7 -70.2 -32.6 0.4 -13.4 -21.9 40 40 A Q H < S+ 0 0 99 -4,-0.9 4,-0.4 -5,-0.3 -1,-0.2 0.877 110.1 39.0 -60.0 -39.1 -1.8 -12.1 -24.7 41 41 A R H < S+ 0 0 153 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.686 116.9 52.7 -84.0 -20.1 -4.0 -15.2 -24.3 42 42 A M H >X S+ 0 0 44 -4,-1.0 3,-2.6 2,-0.2 4,-0.8 0.910 100.5 57.4 -80.5 -46.6 -3.7 -15.0 -20.5 43 43 A M H 3X S+ 0 0 18 -4,-3.4 4,-1.5 1,-0.3 -1,-0.2 0.761 96.6 67.7 -55.7 -24.8 -4.7 -11.4 -20.1 44 44 A A H 34 S+ 0 0 53 -4,-0.4 -1,-0.3 -5,-0.3 6,-0.2 0.724 92.6 60.5 -68.3 -21.3 -7.9 -12.4 -21.8 45 45 A E H <4 S+ 0 0 159 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.923 106.0 43.2 -71.9 -46.1 -8.8 -14.5 -18.8 46 46 A I H < S+ 0 0 17 -4,-0.8 2,-0.8 -3,-0.1 -2,-0.2 0.810 98.2 86.9 -69.3 -30.4 -8.8 -11.6 -16.4 47 47 A D < + 0 0 17 -4,-1.5 7,-0.1 1,-0.2 -1,-0.0 -0.624 47.0 168.6 -76.5 110.2 -10.7 -9.4 -18.9 48 48 A T S S+ 0 0 125 -2,-0.8 -1,-0.2 1,-0.1 -2,-0.1 0.616 79.4 49.1 -95.0 -16.6 -14.4 -10.1 -18.3 49 49 A D S S- 0 0 86 4,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.376 98.9-134.8-101.5 1.0 -15.6 -7.2 -20.5 50 50 A G + 0 0 67 -6,-0.2 2,-0.2 1,-0.2 -6,-0.1 0.820 60.0 137.5 48.0 34.3 -13.3 -8.2 -23.4 51 51 A D S S- 0 0 44 2,-0.3 2,-1.2 1,-0.0 -30,-0.2 -0.592 72.0-101.4-105.8 169.1 -12.3 -4.5 -23.6 52 52 A G S S+ 0 0 34 -2,-0.2 2,-0.3 -32,-0.1 -29,-0.1 -0.233 97.8 64.7 -84.5 48.5 -9.0 -2.8 -24.1 53 53 A F - 0 0 74 -2,-1.2 2,-0.3 -33,-0.2 -2,-0.3 -0.967 57.8-163.2-165.8 150.0 -8.7 -1.9 -20.4 54 54 A I B -A 19 0A 6 -35,-1.0 -35,-2.1 -2,-0.3 -7,-0.1 -1.000 9.1-148.3-142.5 141.9 -8.3 -3.6 -17.0 55 55 A D > - 0 0 69 -2,-0.3 4,-2.9 -37,-0.2 5,-0.3 -0.156 44.5 -82.7 -93.8-168.8 -8.9 -2.4 -13.4 56 56 A F H > S+ 0 0 68 -39,-0.3 4,-2.1 1,-0.2 5,-0.2 0.894 130.3 49.8 -64.1 -41.0 -7.1 -3.4 -10.2 57 57 A N H > S+ 0 0 131 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.882 114.8 44.6 -65.6 -39.1 -9.4 -6.5 -9.8 58 58 A E H > S+ 0 0 21 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.974 115.2 44.6 -69.3 -57.0 -8.6 -7.6 -13.4 59 59 A F H X S+ 0 0 4 -4,-2.9 4,-0.8 1,-0.2 3,-0.5 0.865 115.4 51.0 -55.8 -38.0 -4.9 -7.0 -13.4 60 60 A I H >X S+ 0 0 35 -4,-2.1 4,-2.8 -5,-0.3 3,-1.3 0.926 98.2 63.5 -66.5 -46.2 -4.7 -8.7 -10.0 61 61 A S H 3X S+ 0 0 56 -4,-2.0 4,-0.9 1,-0.3 -1,-0.2 0.777 97.9 60.7 -49.3 -27.5 -6.7 -11.7 -11.1 62 62 A F H 3< S+ 0 0 7 -4,-1.0 4,-0.3 -3,-0.5 -1,-0.3 0.898 111.3 36.1 -68.4 -41.6 -3.7 -12.3 -13.5 63 63 A C H X< S+ 0 0 28 -3,-1.3 3,-2.0 -4,-0.8 -2,-0.2 0.906 112.1 57.8 -77.8 -44.7 -1.2 -12.6 -10.6 64 64 A N H 3< S+ 0 0 126 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 103.5 57.1 -58.0 -22.3 -3.6 -14.4 -8.2 65 65 A A T 3< S- 0 0 71 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.669 96.2-147.0 -82.3 -18.2 -3.9 -17.0 -11.0 66 66 A N < + 0 0 101 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.939 32.8 165.6 48.9 55.1 -0.1 -17.6 -10.9 67 67 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.794 56.2-107.5 -69.8 -29.3 -0.1 -18.3 -14.7 68 68 A G S S+ 0 0 38 -5,-0.1 4,-0.2 0, 0.0 -5,-0.1 0.458 100.8 83.9 113.1 5.8 3.7 -17.9 -14.8 69 69 A L S >> S+ 0 0 10 -7,-0.2 4,-1.6 2,-0.1 3,-0.9 0.851 88.7 42.8-101.4 -58.6 3.9 -14.6 -16.6 70 70 A M H 3> S+ 0 0 1 1,-0.2 4,-3.1 -8,-0.2 5,-0.3 0.708 101.3 77.3 -62.4 -19.2 3.5 -11.9 -14.0 71 71 A K H 34 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.928 106.3 28.5 -56.7 -48.2 5.8 -14.0 -11.9 72 72 A D H <> S+ 0 0 94 -3,-0.9 4,-0.5 -4,-0.2 -1,-0.2 0.751 120.9 57.2 -84.3 -26.8 8.9 -12.8 -13.9 73 73 A V H >< S+ 0 0 11 -4,-1.6 3,-2.1 1,-0.2 -2,-0.2 0.975 105.2 46.8 -67.8 -57.1 7.2 -9.5 -14.7 74 74 A A G >< S+ 0 0 18 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.731 101.1 71.5 -57.8 -21.5 6.6 -8.3 -11.2 75 75 A K G 34 S+ 0 0 142 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.798 104.1 38.7 -65.4 -28.7 10.1 -9.3 -10.5 76 76 A V G << 0 0 93 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.069 360.0 360.0-108.4 21.9 11.3 -6.4 -12.5 77 77 A F < 0 0 113 -3,-1.4 -2,-0.1 -67,-0.0 -1,-0.1 0.968 360.0 360.0 -69.2 360.0 8.6 -4.0 -11.2