==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 26-FEB-03 1H4B . COMPND 2 MOLECULE: POLCALCIN BET V 4; . SOURCE 2 ORGANISM_SCIENTIFIC: BETULA VERRUCOSA; . AUTHOR P.NEUDECKER,J.NERKAMP,A.EISENMANN,T.LAUBER,K.LEHMANN, . 84 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 69.0 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 . 3 3.6 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 . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 50.0 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+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 0 2 1 0 0 1 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 . 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 0 0 0 0 0 ANTIPARALLEL 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 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 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.9 9.5 -12.5 2.9 2 2 A D + 0 0 152 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.837 360.0 92.0 -52.7 -28.6 8.5 -12.5 -0.8 3 3 A D - 0 0 77 2,-0.0 0, 0.0 3,-0.0 0, 0.0 -0.476 68.1-159.2 -69.0 133.2 4.9 -12.9 0.5 4 4 A H >> - 0 0 84 -2,-0.2 4,-0.9 1,-0.1 3,-0.6 -0.657 30.8-108.7-110.0 170.0 3.3 -9.4 0.9 5 5 A P H 3> S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.743 112.8 70.6 -68.4 -22.5 0.3 -8.2 3.0 6 6 A Q H 3> S+ 0 0 141 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.915 93.6 55.2 -62.5 -40.0 -1.7 -7.8 -0.2 7 7 A D H X> S+ 0 0 56 -3,-0.6 4,-2.0 1,-0.2 3,-1.1 0.952 101.0 57.6 -59.2 -47.2 -1.9 -11.6 -0.6 8 8 A K H 3X S+ 0 0 100 -4,-0.9 4,-4.4 1,-0.3 5,-0.4 0.901 97.0 63.7 -51.3 -39.5 -3.4 -12.0 2.9 9 9 A A H 3X S+ 0 0 35 -4,-1.4 4,-2.6 1,-0.2 -1,-0.3 0.922 104.6 46.5 -52.8 -41.5 -6.2 -9.7 1.7 10 10 A E H - 0 0 24 -2,-0.5 4,-3.5 33,-0.2 5,-0.5 -0.650 38.9 -98.4-106.2 166.8 -17.5 -25.4 10.6 28 28 A A H > S+ 0 0 41 31,-0.4 4,-4.0 1,-0.3 5,-0.5 0.936 127.6 53.7 -49.9 -45.8 -18.4 -28.0 8.0 29 29 A A H > S+ 0 0 63 3,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.915 115.3 40.1 -57.1 -40.3 -21.8 -26.4 7.7 30 30 A E H > S+ 0 0 18 -3,-0.4 4,-2.2 2,-0.2 5,-0.3 0.973 122.4 38.9 -74.4 -54.1 -20.1 -23.1 7.0 31 31 A L H X S+ 0 0 11 -4,-3.5 4,-3.1 1,-0.2 5,-0.2 0.938 119.3 49.2 -62.0 -43.0 -17.3 -24.4 4.8 32 32 A G H X S+ 0 0 14 -4,-4.0 4,-2.3 -5,-0.5 -1,-0.2 0.938 108.0 54.0 -62.4 -44.0 -19.8 -26.8 3.1 33 33 A E H < S+ 0 0 121 -4,-1.9 4,-0.3 -5,-0.5 -1,-0.2 0.933 114.4 40.6 -57.8 -43.5 -22.3 -24.0 2.6 34 34 A A H >< S+ 0 0 15 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.914 111.1 57.5 -71.8 -39.7 -19.7 -21.9 0.8 35 35 A L H >< S+ 0 0 17 -4,-3.1 3,-3.9 1,-0.3 4,-0.4 0.866 84.9 80.6 -59.2 -33.1 -18.3 -25.0 -1.0 36 36 A K G >< S+ 0 0 151 -4,-2.3 3,-2.4 1,-0.3 -1,-0.3 0.816 72.0 81.8 -44.9 -26.4 -21.8 -25.6 -2.4 37 37 A T G < S+ 0 0 64 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.815 78.4 68.3 -51.8 -25.5 -20.7 -22.9 -4.9 38 38 A L G < S- 0 0 75 -3,-3.9 -1,-0.3 -4,-0.2 -2,-0.2 0.871 88.6-154.7 -63.9 -32.7 -19.0 -25.8 -6.7 39 39 A G S < S+ 0 0 69 -3,-2.4 -1,-0.1 -4,-0.4 -2,-0.1 0.598 81.3 64.4 69.5 5.8 -22.4 -27.2 -7.6 40 40 A S S S+ 0 0 117 -4,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.182 78.1 96.0-153.8 52.4 -20.7 -30.6 -7.7 41 41 A I - 0 0 43 -5,-0.1 3,-0.0 -9,-0.1 -2,-0.0 -0.889 55.6-132.8-137.6 169.9 -19.4 -31.6 -4.3 42 42 A T >> - 0 0 55 -2,-0.3 4,-1.5 1,-0.1 3,-0.5 -0.837 23.6-118.7-122.6 163.5 -20.6 -33.7 -1.3 43 43 A P H 3> S+ 0 0 98 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.846 113.0 62.4 -68.2 -33.5 -20.7 -33.1 2.5 44 44 A D H 3> S+ 0 0 110 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.801 104.8 47.9 -64.5 -25.0 -18.3 -36.0 3.0 45 45 A E H <> S+ 0 0 98 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.877 111.3 48.8 -83.1 -37.1 -15.7 -34.1 1.0 46 46 A V H X S+ 0 0 4 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.897 111.6 50.3 -68.6 -36.7 -16.2 -30.9 2.8 47 47 A K H X S+ 0 0 136 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.915 109.7 50.7 -67.9 -39.5 -15.9 -32.7 6.2 48 48 A H H X S+ 0 0 103 -4,-1.3 4,-1.2 -5,-0.3 5,-0.2 0.916 105.7 56.0 -65.3 -39.6 -12.7 -34.4 5.0 49 49 A M H >X S+ 0 0 70 -4,-2.1 4,-3.6 1,-0.2 3,-0.6 0.941 107.9 48.7 -58.6 -43.8 -11.2 -31.0 4.0 50 50 A M H 3X S+ 0 0 11 -4,-1.8 4,-4.5 1,-0.3 -1,-0.2 0.957 106.4 54.9 -61.8 -48.0 -11.8 -29.8 7.6 51 51 A A H 3< S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.776 117.6 39.1 -57.7 -20.8 -10.2 -32.9 9.1 52 52 A E H << S+ 0 0 129 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.805 122.4 39.4 -97.4 -36.5 -7.2 -31.9 6.9 53 53 A I H < S+ 0 0 7 -4,-3.6 2,-0.8 -5,-0.2 -3,-0.2 0.838 91.5 95.8 -81.8 -32.5 -7.4 -28.2 7.3 54 54 A D < - 0 0 20 -4,-4.5 7,-0.1 -5,-0.3 -1,-0.0 -0.401 54.4-176.7 -60.4 101.4 -8.2 -28.4 11.0 55 55 A T S S+ 0 0 80 -2,-0.8 -1,-0.2 1,-0.1 6,-0.1 0.944 83.3 24.5 -70.2 -46.9 -4.7 -28.0 12.5 56 56 A D S S- 0 0 106 4,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.873 104.1-125.2 -86.7 -38.4 -5.8 -28.5 16.2 57 57 A G + 0 0 50 3,-0.3 4,-0.1 -7,-0.1 -3,-0.1 0.741 61.8 140.2 101.0 28.8 -8.9 -30.5 15.5 58 58 A D S S- 0 0 73 2,-0.4 3,-0.1 1,-0.1 -4,-0.0 0.562 79.5-102.7 -80.4 -3.2 -11.5 -28.3 17.4 59 59 A G S S+ 0 0 35 1,-0.3 -31,-0.4 -9,-0.1 2,-0.3 0.383 95.6 80.7 99.9 -5.1 -13.9 -29.0 14.5 60 60 A F - 0 0 59 -33,-0.1 2,-0.5 -10,-0.1 -2,-0.4 -0.948 69.7-132.8-134.4 156.9 -13.4 -25.5 12.9 61 61 A I E -A 26 0A 4 -35,-1.7 -35,-1.7 -2,-0.3 2,-0.2 -0.903 21.8-156.8-108.2 130.3 -10.8 -23.8 10.7 62 62 A S E > -A 25 0A 43 -2,-0.5 4,-3.5 -37,-0.2 5,-0.3 -0.577 34.6-102.8-100.0 167.7 -9.6 -20.3 11.7 63 63 A F H > S+ 0 0 48 -39,-0.6 4,-2.9 1,-0.2 5,-0.2 0.945 125.9 51.3 -55.0 -44.5 -8.1 -17.7 9.4 64 64 A Q H > S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.950 112.2 45.6 -58.4 -47.1 -4.7 -18.7 10.7 65 65 A E H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.952 113.2 49.5 -62.5 -46.5 -5.4 -22.3 10.0 66 66 A F H X S+ 0 0 11 -4,-3.5 4,-3.3 1,-0.2 -1,-0.2 0.903 111.1 51.1 -60.3 -37.7 -6.8 -21.5 6.6 67 67 A T H X S+ 0 0 8 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.957 109.5 48.7 -65.7 -47.6 -3.6 -19.4 5.9 68 68 A D H X S+ 0 0 66 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.920 118.8 40.4 -59.4 -40.5 -1.3 -22.2 6.9 69 69 A F H >X S+ 0 0 43 -4,-2.5 4,-1.0 -5,-0.2 3,-0.5 0.886 108.9 60.2 -76.1 -37.0 -3.3 -24.6 4.7 70 70 A G H 3< S+ 0 0 0 -4,-3.3 3,-0.4 -5,-0.3 7,-0.3 0.864 102.0 54.8 -59.2 -32.0 -3.6 -22.0 1.9 71 71 A R H >< S+ 0 0 111 -4,-2.0 3,-0.7 1,-0.2 -1,-0.3 0.850 101.6 57.2 -71.1 -31.1 0.2 -21.9 1.7 72 72 A A H << S+ 0 0 72 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.753 129.4 14.1 -71.5 -20.3 0.3 -25.7 1.2 73 73 A N T >X + 0 0 58 -4,-1.0 3,-2.6 -3,-0.4 4,-1.3 -0.250 69.8 154.7-149.4 54.9 -2.0 -25.2 -1.9 74 74 A R H <> S+ 0 0 123 -3,-0.7 4,-1.9 1,-0.3 3,-0.3 0.926 79.0 62.1 -51.5 -42.6 -2.0 -21.5 -2.8 75 75 A G H 3> S+ 0 0 44 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.767 100.4 56.5 -56.2 -20.6 -2.9 -22.6 -6.4 76 76 A L H X> S+ 0 0 91 -3,-2.6 4,-1.4 -6,-0.2 3,-1.0 0.919 102.4 51.4 -78.6 -43.7 -6.0 -24.1 -4.8 77 77 A L H 3X S+ 0 0 13 -4,-1.3 4,-3.1 -3,-0.3 5,-0.2 0.888 101.7 62.3 -61.4 -35.9 -7.2 -20.8 -3.2 78 78 A K H 3< S+ 0 0 128 -4,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.829 102.2 52.7 -60.5 -27.0 -6.8 -19.1 -6.6 79 79 A D H