==== 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 2LVI . 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) . 5129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 49.4 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 . 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 . 1 1.3 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 . 4 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 3 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 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 0 123 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 165.8 2.1 -0.0 -1.2 2 2 A D - 0 0 68 1,-0.1 72,-0.1 69,-0.1 0, 0.0 -0.954 360.0-163.3-165.6 145.7 5.6 -1.3 -2.0 3 3 A D S S- 0 0 66 -2,-0.3 71,-0.3 70,-0.1 70,-0.2 0.857 95.6 -9.1 -97.5 -50.5 8.3 -0.9 -4.6 4 4 A M S >> S+ 0 0 32 2,-0.1 4,-3.2 3,-0.1 3,-1.9 0.618 124.2 72.4-119.8 -30.0 10.5 -4.0 -4.0 5 5 A E H 3> S+ 0 0 55 1,-0.3 4,-1.5 2,-0.2 5,-0.3 0.821 93.0 60.6 -57.4 -31.7 9.1 -5.4 -0.8 6 6 A R H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.686 115.2 34.3 -69.8 -17.7 6.1 -6.5 -2.8 7 7 A I H <> S+ 0 0 12 -3,-1.9 4,-2.4 3,-0.1 5,-0.3 0.777 112.2 58.5-103.5 -40.1 8.4 -8.7 -4.9 8 8 A F H X S+ 0 0 22 -4,-3.2 4,-2.5 1,-0.2 3,-0.4 0.975 109.7 42.6 -54.2 -63.2 11.0 -9.7 -2.3 9 9 A K H < S+ 0 0 135 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.778 111.8 60.2 -55.7 -26.7 8.5 -11.4 0.0 10 10 A R H 4 S+ 0 0 153 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.939 112.6 33.9 -67.6 -48.5 6.9 -12.9 -3.1 11 11 A F H < S+ 0 0 49 -4,-2.4 2,-2.0 -3,-0.4 3,-0.4 0.724 102.9 80.7 -78.9 -22.8 10.1 -14.7 -4.2 12 12 A D < + 0 0 46 -4,-2.5 -1,-0.2 -5,-0.3 7,-0.1 -0.340 61.1 103.3 -81.7 57.2 11.0 -15.4 -0.6 13 13 A T + 0 0 117 -2,-2.0 -1,-0.2 -3,-0.1 -2,-0.1 0.115 50.1 91.4-123.4 18.1 8.7 -18.3 -0.3 14 14 A N S S- 0 0 122 -3,-0.4 -2,-0.1 4,-0.3 5,-0.1 0.974 97.0-105.7 -77.0 -61.5 11.2 -21.1 -0.6 15 15 A G S S+ 0 0 72 3,-0.2 -3,-0.1 0, 0.0 -2,-0.0 0.117 102.0 64.8 157.0 -26.9 12.0 -21.7 3.1 16 16 A D S S- 0 0 139 2,-0.2 3,-0.1 39,-0.0 -4,-0.1 0.957 99.6-110.0 -83.9 -65.0 15.4 -20.2 3.8 17 17 A G S S+ 0 0 11 1,-0.5 2,-0.1 37,-0.1 -5,-0.1 0.159 80.9 95.3 153.9 -21.4 15.0 -16.5 3.2 18 18 A K - 0 0 82 -7,-0.0 -1,-0.5 38,-0.0 2,-0.4 -0.435 63.5-129.6 -91.5 168.4 16.9 -15.7 0.0 19 19 A I B -A 54 0A 0 35,-2.0 2,-1.0 -2,-0.1 35,-0.6 -0.974 21.0-115.2-124.4 133.7 15.5 -15.4 -3.5 20 20 A S >> - 0 0 17 -2,-0.4 3,-2.0 -9,-0.3 4,-1.7 -0.502 23.9-162.6 -67.7 99.8 16.9 -17.1 -6.6 21 21 A L H 3> S+ 0 0 7 -2,-1.0 4,-3.1 31,-0.4 5,-0.5 0.897 88.5 64.1 -49.1 -46.0 18.0 -14.1 -8.7 22 22 A S H 34 S+ 0 0 60 30,-0.5 4,-0.3 1,-0.3 -1,-0.3 0.799 109.1 41.4 -49.6 -30.3 18.1 -16.3 -11.8 23 23 A E H <> S+ 0 0 123 -3,-2.0 4,-1.0 2,-0.1 -1,-0.3 0.786 115.8 49.2 -87.9 -31.7 14.3 -16.7 -11.3 24 24 A L H >< S+ 0 0 8 -4,-1.7 3,-0.6 2,-0.2 4,-0.2 0.963 107.0 51.9 -71.8 -54.3 13.7 -13.0 -10.4 25 25 A T T 3< S+ 0 0 3 -4,-3.1 4,-0.5 1,-0.3 3,-0.2 0.764 119.5 39.5 -54.0 -25.3 15.6 -11.5 -13.3 26 26 A D T 3> S+ 0 0 108 -5,-0.5 4,-0.5 -4,-0.3 -1,-0.3 0.627 110.6 58.2 -97.9 -18.8 13.5 -13.8 -15.5 27 27 A A T << S+ 0 0 22 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.136 96.0 69.2 -96.5 18.8 10.3 -13.3 -13.5 28 28 A L T >>>S+ 0 0 4 -3,-0.2 3,-2.4 -4,-0.2 5,-1.6 0.871 95.1 44.3 -98.6 -59.9 10.4 -9.5 -14.0 29 29 A R G >45S+ 0 0 120 -4,-0.5 3,-0.9 1,-0.3 -2,-0.1 0.841 105.7 65.6 -55.2 -34.7 9.6 -9.0 -17.7 30 30 A T G 3<5S+ 0 0 108 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.681 102.4 49.2 -62.5 -16.5 6.9 -11.6 -17.4 31 31 A L G <45S- 0 0 56 -3,-2.4 -1,-0.3 46,-0.1 -2,-0.2 0.651 136.3 -83.4 -95.5 -20.0 5.2 -9.1 -15.1 32 32 A G T <<5S+ 0 0 46 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.375 82.7 139.1 131.0 1.9 5.6 -6.1 -17.5 33 33 A S < - 0 0 22 -5,-1.6 37,-0.0 1,-0.1 36,-0.0 0.216 33.0-165.9 -59.9-169.6 9.1 -5.0 -16.7 34 34 A T S > S+ 0 0 123 35,-0.1 2,-1.3 0, 0.0 3,-0.5 0.406 75.4 59.3-147.6 -50.6 11.6 -3.9 -19.5 35 35 A S T 3 + 0 0 51 1,-0.2 4,-0.3 2,-0.1 5,-0.1 -0.330 65.0 125.1 -87.6 53.7 15.1 -3.7 -18.2 36 36 A A T >> + 0 0 0 -2,-1.3 4,-1.7 1,-0.2 3,-1.0 0.831 69.9 53.8 -79.6 -34.6 15.2 -7.4 -17.2 37 37 A D H <> S+ 0 0 77 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.734 89.8 78.6 -71.4 -22.5 18.3 -8.1 -19.2 38 38 A E H 34 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.810 114.4 19.0 -55.4 -30.6 20.1 -5.3 -17.4 39 39 A V H X> S+ 0 0 12 -3,-1.0 3,-1.5 -4,-0.3 4,-0.7 0.603 106.2 83.1-112.5 -22.3 20.5 -7.7 -14.5 40 40 A Q H 3< S+ 0 0 87 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.752 109.8 28.8 -54.6 -23.8 19.9 -11.0 -16.3 41 41 A R T 3< S+ 0 0 183 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.1 0.274 127.4 45.2-118.7 6.0 23.6 -10.7 -17.3 42 42 A M T <> S+ 0 0 58 -3,-1.5 4,-0.6 -5,-0.1 3,-0.4 -0.003 74.4 106.3-137.9 28.0 24.8 -8.7 -14.2 43 43 A M T <>S+ 0 0 42 -4,-0.7 5,-0.5 1,-0.2 4,-0.2 0.598 85.1 47.9 -83.5 -12.4 23.0 -10.6 -11.4 44 44 A A T 45S+ 0 0 61 -5,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.335 112.9 47.5-107.2 3.2 26.4 -12.1 -10.3 45 45 A E T 45S+ 0 0 134 -3,-0.4 -2,-0.2 -6,-0.2 -1,-0.1 0.445 97.6 68.2-119.0 -8.7 28.3 -8.8 -10.4 46 46 A I T <5S- 0 0 47 -4,-0.6 -3,-0.1 -7,-0.1 -2,-0.1 0.772 133.2 -58.8 -82.0 -28.3 25.8 -6.7 -8.5 47 47 A D T 5S+ 0 0 73 1,-0.3 -3,-0.1 -4,-0.2 12,-0.1 0.050 100.1 114.6 178.9 -47.8 26.4 -8.5 -5.2 48 48 A T < - 0 0 4 -5,-0.5 -1,-0.3 10,-0.2 6,-0.1 -0.206 55.5-147.4 -48.7 124.2 25.7 -12.2 -5.6 49 49 A D - 0 0 170 4,-0.2 -1,-0.2 -3,-0.1 -5,-0.1 0.868 58.8 -81.3 -63.5 -37.4 28.9 -14.1 -5.2 50 50 A G S S+ 0 0 52 3,-0.2 -2,-0.1 -7,-0.1 -1,-0.1 0.188 104.3 107.7 155.8 -18.9 27.7 -16.8 -7.6 51 51 A D S S- 0 0 130 2,-0.1 3,-0.1 1,-0.1 -7,-0.1 0.895 86.0-119.6 -49.5 -45.3 25.4 -19.1 -5.6 52 52 A G S S+ 0 0 12 1,-0.4 -30,-0.5 -9,-0.1 -31,-0.4 0.639 76.7 85.4 110.0 22.4 22.4 -17.6 -7.4 53 53 A F - 0 0 70 -33,-0.3 -1,-0.4 -32,-0.1 2,-0.3 -0.910 52.9-154.6-145.0 170.9 20.5 -16.2 -4.4 54 54 A I B -A 19 0A 4 -35,-0.6 -35,-2.0 -2,-0.3 -37,-0.1 -0.967 10.3-155.9-154.6 134.9 20.2 -13.2 -2.2 55 55 A D - 0 0 84 -2,-0.3 -1,-0.2 -37,-0.3 -43,-0.0 0.994 65.0 -74.5 -71.5 -71.7 19.0 -12.5 1.3 56 56 A F S > S+ 0 0 77 -38,-0.1 4,-2.5 3,-0.0 5,-0.3 0.281 121.8 61.8-157.5 -52.1 18.0 -8.8 1.2 57 57 A N H > S+ 0 0 122 1,-0.3 4,-1.3 2,-0.2 -3,-0.0 0.910 111.8 43.4 -54.7 -45.7 21.1 -6.5 1.2 58 58 A E H 4 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.736 112.2 55.8 -72.7 -22.8 22.2 -8.0 -2.1 59 59 A F H >> S+ 0 0 1 -3,-0.2 4,-0.6 1,-0.2 3,-0.5 0.849 109.0 44.8 -77.2 -36.2 18.6 -7.8 -3.4 60 60 A I H 3< S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.738 97.6 74.0 -78.8 -24.1 18.3 -4.1 -2.7 61 61 A S T 3< S+ 0 0 51 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.760 107.2 35.6 -60.2 -24.3 21.7 -3.4 -4.2 62 62 A F T <4 S+ 0 0 18 -3,-0.5 2,-1.5 -4,-0.4 3,-0.4 0.611 99.1 81.5-102.2 -18.8 20.1 -4.0 -7.6 63 63 A C < + 0 0 4 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.318 49.3 150.5 -84.6 53.9 16.7 -2.5 -6.7 64 64 A N - 0 0 104 -2,-1.5 -1,-0.2 -3,-0.1 -2,-0.1 0.868 30.7-165.9 -52.9 -39.2 18.0 1.0 -7.3 65 65 A A + 0 0 25 -3,-0.4 -1,-0.1 1,-0.1 -2,-0.1 0.787 47.2 124.7 54.8 27.9 14.4 2.0 -8.3 66 66 A N S S+ 0 0 142 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.971 74.5 32.1 -78.9 -64.6 16.0 5.2 -9.8 67 67 A P S S- 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.594 126.3 -94.7 -69.8 -10.4 14.7 5.1 -13.4 68 68 A G S > S+ 0 0 24 3,-0.0 4,-0.6 5,-0.0 -2,-0.1 0.705 85.7 132.8 101.6 26.2 11.6 3.4 -12.2 69 69 A L T 4 S+ 0 0 35 2,-0.1 -35,-0.1 1,-0.1 -34,-0.0 0.758 91.2 16.7 -77.9 -25.8 12.6 -0.2 -12.7 70 70 A M T >> S+ 0 0 4 3,-0.1 3,-0.8 2,-0.1 4,-0.8 0.574 119.8 64.4-117.7 -22.2 11.3 -1.2 -9.3 71 71 A K T 34 S+ 0 0 101 1,-0.2 -2,-0.1 2,-0.1 -69,-0.1 0.684 115.7 32.3 -76.1 -18.5 9.2 1.9 -8.4 72 72 A D T 3< S+ 0 0 89 -4,-0.6 -1,-0.2 2,-0.1 -2,-0.1 -0.204 110.7 64.6-131.0 41.6 6.9 0.9 -11.3 73 73 A V T <> S+ 0 0 7 -3,-0.8 4,-0.6 -70,-0.2 -2,-0.1 0.535 88.2 61.3-132.0 -29.3 7.1 -2.9 -11.3 74 74 A A T < S+ 0 0 20 -4,-0.8 -3,-0.1 -71,-0.3 -2,-0.1 0.513 114.4 39.2 -80.0 -5.0 5.6 -3.9 -7.9 75 75 A K T 4 S+ 0 0 97 -72,-0.1 -1,-0.2 -74,-0.0 -2,-0.1 0.512 95.1 84.6-117.2 -14.7 2.3 -2.3 -9.0 76 76 A V T 4 0 0 62 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.978 360.0 360.0 -51.4 -73.5 2.3 -3.4 -12.6 77 77 A F < 0 0 209 -4,-0.6 -45,-0.1 0, 0.0 -46,-0.1 -0.293 360.0 360.0 -55.0 360.0 0.8 -6.8 -12.3