==== 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 2LVK . COMPND 2 MOLECULE: POLCALCIN PHL P 7; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR M.T.HENZL,A.G.SIRIANNI,J.J.TANNER . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 74.0 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 . 1 1.3 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 . 4 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 44.2 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 1 1 1 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 0 133 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 138.8 2.0 -1.1 -0.7 2 2 A D >> + 0 0 110 1,-0.2 3,-1.0 2,-0.1 4,-1.0 -0.762 360.0 166.8-119.9 84.6 5.4 -2.7 -1.4 3 3 A D H 3> S+ 0 0 85 -2,-0.5 4,-1.9 1,-0.3 5,-0.2 0.831 78.1 63.7 -64.4 -32.6 8.1 -0.1 -0.8 4 4 A M H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.747 96.5 61.4 -63.4 -23.1 10.7 -2.9 -1.0 5 5 A E H <> S+ 0 0 108 -3,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.984 105.4 41.2 -67.3 -60.2 9.7 -3.3 -4.6 6 6 A R H < S+ 0 0 173 -4,-1.0 3,-0.5 1,-0.2 4,-0.3 0.884 120.2 46.1 -55.5 -41.0 10.6 0.1 -5.9 7 7 A I H >X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 3,-1.4 0.821 102.4 64.6 -71.8 -31.8 13.7 0.0 -3.8 8 8 A F H 3X S+ 0 0 11 -4,-1.7 4,-1.6 1,-0.3 -1,-0.2 0.780 92.4 64.3 -61.8 -26.7 14.5 -3.5 -5.0 9 9 A K H 3< S+ 0 0 130 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.752 104.7 46.5 -68.7 -24.0 14.9 -2.1 -8.5 10 10 A R H <4 S+ 0 0 137 -3,-1.4 3,-0.3 -4,-0.3 -2,-0.2 0.947 111.1 46.4 -82.1 -56.0 17.9 -0.1 -7.3 11 11 A F H < S+ 0 0 18 -4,-1.7 2,-1.3 1,-0.3 3,-0.2 0.814 105.4 66.9 -56.5 -31.0 19.8 -2.7 -5.3 12 12 A D >< + 0 0 6 -4,-1.6 3,-2.6 -5,-0.2 -1,-0.3 -0.459 58.4 158.5 -91.0 62.8 19.2 -5.0 -8.3 13 13 A T T 3 S+ 0 0 82 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.730 74.3 59.9 -57.3 -21.5 21.4 -3.0 -10.7 14 14 A N T 3 S- 0 0 85 4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.596 97.3-144.6 -82.6 -12.0 21.6 -6.3 -12.7 15 15 A G < + 0 0 62 -3,-2.6 -2,-0.1 -6,-0.2 4,-0.1 0.884 67.6 113.7 48.2 45.0 17.9 -6.2 -13.2 16 16 A D S S- 0 0 72 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.487 95.2 -94.5-118.1 -12.8 17.8 -10.0 -13.0 17 17 A G S S+ 0 0 29 1,-0.4 39,-0.3 -9,-0.1 2,-0.3 0.579 96.8 75.1 106.4 15.1 15.9 -10.4 -9.7 18 18 A K - 0 0 72 37,-0.1 2,-0.5 38,-0.1 -2,-0.4 -0.979 69.6-126.3-152.3 161.0 18.9 -10.7 -7.4 19 19 A I B +A 54 0A 0 35,-1.3 35,-2.2 -2,-0.3 -7,-0.1 -0.955 29.1 178.0-118.0 120.9 21.6 -8.6 -5.7 20 20 A S > - 0 0 20 -2,-0.5 4,-2.6 -9,-0.2 5,-0.4 -0.286 49.9 -85.1-104.8-168.4 25.3 -9.5 -6.1 21 21 A L H > S+ 0 0 66 31,-0.3 4,-0.7 1,-0.2 18,-0.1 0.734 129.3 50.6 -72.0 -22.4 28.6 -7.9 -4.9 22 22 A S H 4 S+ 0 0 98 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.813 119.9 33.7 -83.7 -33.5 28.5 -5.7 -8.0 23 23 A E H >> S+ 0 0 11 2,-0.2 3,-0.8 3,-0.1 4,-0.7 0.933 117.1 50.4 -85.8 -56.2 24.9 -4.5 -7.5 24 24 A L H >X S+ 0 0 4 -4,-2.6 3,-2.4 1,-0.3 4,-1.7 0.915 107.2 56.2 -47.8 -50.8 24.7 -4.4 -3.7 25 25 A T H 3X S+ 0 0 26 -4,-0.7 4,-2.4 -5,-0.4 5,-0.3 0.862 95.9 65.7 -51.0 -39.2 27.9 -2.4 -3.5 26 26 A D H <4 S+ 0 0 63 -3,-0.8 4,-0.3 -4,-0.5 -1,-0.3 0.772 108.2 41.7 -55.5 -26.0 26.3 0.2 -5.8 27 27 A A H XX>S+ 0 0 1 -3,-2.4 4,-2.5 -4,-0.7 3,-1.2 0.942 114.8 44.4 -85.7 -59.4 23.9 0.8 -2.9 28 28 A L H 3X>S+ 0 0 36 -4,-1.7 6,-1.7 1,-0.3 4,-0.7 0.724 117.1 51.1 -58.6 -20.5 26.1 0.8 0.2 29 29 A R H 3<5S+ 0 0 140 -4,-2.4 -1,-0.3 4,-0.4 -2,-0.2 0.692 110.9 46.6 -89.1 -22.3 28.5 2.9 -1.9 30 30 A T H <45S+ 0 0 70 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.770 129.8 22.9 -88.8 -30.1 25.7 5.4 -2.8 31 31 A L H <5S+ 0 0 78 -4,-2.5 -3,-0.2 3,-0.0 -2,-0.2 0.607 146.7 17.0-108.5 -20.7 24.4 5.7 0.7 32 32 A G T <> - 0 0 67 -7,-0.1 4,-1.0 -3,-0.1 3,-1.0 -0.575 33.1 -90.3-122.8-173.8 33.1 -1.2 -1.1 36 36 A A H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.759 111.6 80.7 -71.1 -25.1 32.5 -4.9 -1.8 37 37 A D H 34 S+ 0 0 99 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.808 106.6 30.4 -50.5 -31.4 34.7 -5.9 1.1 38 38 A E H <> S+ 0 0 85 -3,-1.0 4,-1.9 2,-0.1 -1,-0.3 0.682 112.3 66.5 -99.9 -25.1 31.7 -5.2 3.3 39 39 A V H >X S+ 0 0 0 -4,-1.0 4,-3.1 2,-0.2 3,-0.7 0.976 98.9 49.3 -60.2 -58.8 29.1 -6.1 0.7 40 40 A Q H 3X S+ 0 0 98 -4,-2.1 4,-0.7 1,-0.3 -1,-0.2 0.764 114.9 48.9 -52.9 -25.4 30.0 -9.8 0.5 41 41 A R H 3> S+ 0 0 148 -5,-0.4 4,-0.5 2,-0.2 -1,-0.3 0.793 112.0 46.7 -84.6 -31.5 29.8 -9.7 4.3 42 42 A M H - 0 0 43 -2,-0.8 4,-0.5 -37,-0.2 -37,-0.1 0.136 32.0-100.9 -66.2-170.9 16.9 -12.7 -3.9 56 56 A F H > S+ 0 0 57 -39,-0.3 4,-1.1 2,-0.1 5,-0.1 0.864 116.5 51.9 -83.4 -40.2 13.8 -10.6 -3.2 57 57 A N H >> S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 3,-1.6 0.991 112.6 41.8 -59.4 -65.6 12.4 -12.7 -0.4 58 58 A E H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 5,-0.4 0.825 104.2 71.1 -52.0 -33.1 15.5 -12.9 1.7 59 59 A F H 3X S+ 0 0 14 -4,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.882 107.5 34.4 -51.7 -42.0 16.0 -9.2 1.0 60 60 A I H X S+ 0 0 72 -4,-2.1 3,-1.8 2,-0.2 4,-0.6 0.902 120.4 57.7 -87.1 -49.0 16.8 -9.4 6.9 63 63 A C H >< S+ 0 0 19 -4,-1.6 3,-1.9 -5,-0.4 7,-0.4 0.850 98.2 64.4 -50.1 -37.6 15.9 -5.9 5.9 64 64 A N T 3< S+ 0 0 112 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.844 96.3 56.6 -56.2 -34.9 12.8 -6.4 8.1 65 65 A A T <4 S+ 0 0 74 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.658 100.5 64.5 -71.5 -15.5 15.0 -6.7 11.1 66 66 A N XX + 0 0 79 -3,-1.9 4,-2.0 -4,-0.6 3,-0.7 -0.699 55.3 159.2-111.9 78.9 16.5 -3.2 10.2 67 67 A P H 3> S+ 0 0 69 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.738 75.6 58.3 -69.8 -23.6 13.5 -0.8 10.6 68 68 A G H 34 S+ 0 0 53 -3,-0.2 4,-0.3 2,-0.1 -2,-0.1 0.664 109.4 44.1 -80.7 -16.6 16.0 2.1 10.9 69 69 A L H X> S+ 0 0 75 -3,-0.7 4,-3.3 -6,-0.2 3,-1.5 0.887 104.7 57.2 -91.7 -50.2 17.5 1.3 7.5 70 70 A M H 3X S+ 0 0 50 -4,-2.0 4,-1.3 -7,-0.4 -2,-0.1 0.754 107.1 54.7 -53.0 -24.1 14.4 0.7 5.4 71 71 A K H 3< S+ 0 0 155 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.782 113.6 39.0 -80.6 -29.0 13.3 4.2 6.5 72 72 A D H X> S+ 0 0 95 -3,-1.5 3,-0.9 -4,-0.3 4,-0.6 0.844 117.6 47.6 -87.6 -39.3 16.6 5.8 5.2 73 73 A V H >X S+ 0 0 6 -4,-3.3 4,-2.8 1,-0.2 3,-0.8 0.865 107.9 55.7 -69.7 -37.2 16.9 3.7 2.1 74 74 A A H 3< S+ 0 0 52 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.1 0.404 98.3 67.6 -76.0 4.1 13.2 4.3 1.1 75 75 A K H <4 S+ 0 0 140 -3,-0.9 -1,-0.2 0, 0.0 -2,-0.2 0.753 126.1 0.7 -92.9 -29.7 14.1 8.0 1.4 76 76 A V H << 0 0 76 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.582 360.0 360.0-127.5 -32.8 16.4 8.1 -1.7 77 77 A F < 0 0 31 -4,-2.8 -3,-0.3 -5,-0.3 -67,-0.1 0.840 360.0 360.0 -98.8 360.0 16.4 4.5 -3.0