==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 24-APR-98 3BBG . COMPND 2 MOLECULE: POLLEN ALLERGEN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: AMBROSIA TRIFIDA; . AUTHOR G.L.WARREN,C.J.TUNER,G.A.PETSKO,A.T.BRUNGER . 40 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 52.5 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 . 6 15.0 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 . 5 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.5 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 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 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 ANTIPARALLEL 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 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 D 0 0 132 0, 0.0 2,-1.7 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 -28.0 10.4 24.4 13.6 2 2 A D + 0 0 125 35,-0.2 2,-0.3 34,-0.1 35,-0.0 -0.442 360.0 24.2 -87.3 67.8 7.1 22.4 13.3 3 3 A G S S- 0 0 27 -2,-1.7 2,-0.2 17,-0.1 33,-0.0 -0.987 81.3 -94.6 168.7-164.3 8.6 19.0 14.2 4 4 A L - 0 0 122 -2,-0.3 2,-0.3 31,-0.0 16,-0.2 -0.778 20.6-142.8-132.9 179.2 11.5 17.3 16.0 5 5 A a + 0 0 45 -2,-0.2 2,-0.2 14,-0.2 14,-0.2 -0.954 24.3 155.6-151.2 129.6 15.0 15.9 15.1 6 6 A Y B -A 18 0A 98 12,-1.6 12,-1.9 -2,-0.3 2,-0.3 -0.801 34.6-108.3-141.0-178.8 16.9 12.8 16.4 7 7 A E + 0 0 149 -2,-0.2 2,-0.3 10,-0.2 10,-0.1 -0.891 65.7 73.7-120.2 151.5 19.6 10.4 15.2 8 8 A G S S- 0 0 40 8,-0.4 7,-0.2 -2,-0.3 8,-0.1 -0.802 91.9 -59.4 155.7-111.5 19.5 6.8 14.0 9 9 A T S > S+ 0 0 98 -2,-0.3 3,-0.8 5,-0.1 5,-0.1 0.137 77.6 123.5-158.5 25.6 18.2 5.4 10.6 10 10 A N T 3 S+ 0 0 90 1,-0.2 -3,-0.0 3,-0.1 9,-0.0 0.742 93.3 23.5 -73.0 -16.1 14.5 6.3 10.2 11 11 A b T 3 S- 0 0 33 16,-0.0 -1,-0.2 9,-0.0 17,-0.1 0.041 123.5 -87.9-133.6 27.9 15.1 8.1 6.8 12 12 A G S < S+ 0 0 62 -3,-0.8 2,-0.8 1,-0.1 -2,-0.1 0.826 76.6 151.2 73.0 26.8 18.3 6.5 5.7 13 13 A K > + 0 0 2 2,-0.1 3,-1.3 3,-0.1 2,-0.6 -0.157 9.4 159.8 -88.1 46.4 20.3 9.1 7.6 14 14 A V T 3 S+ 0 0 115 -2,-0.8 3,-0.1 1,-0.2 -5,-0.1 -0.526 75.7 14.3 -66.6 113.6 23.3 6.9 8.2 15 15 A G T 3 S+ 0 0 76 -2,-0.6 -1,-0.2 1,-0.4 2,-0.1 0.097 132.7 39.2 107.4 -24.8 26.1 9.4 9.0 16 16 A K S < S- 0 0 91 -3,-1.3 -8,-0.4 -8,-0.1 -1,-0.4 -0.336 87.5 -96.7-132.7-144.8 23.8 12.5 9.5 17 17 A Y E - B 0 29A 78 12,-1.9 12,-1.4 -10,-0.1 2,-0.3 -0.863 25.0-146.0-140.4 174.4 20.4 13.1 11.2 18 18 A c E -AB 6 28A 0 -12,-1.9 -12,-1.6 -2,-0.2 2,-0.4 -0.899 7.6-142.2-140.2 170.3 16.6 13.3 10.4 19 19 A d E + B 0 27A 5 8,-1.0 8,-1.7 -2,-0.3 7,-0.3 -0.968 35.6 138.0-136.4 119.3 13.3 15.0 11.2 20 20 A S - 0 0 11 -2,-0.4 -17,-0.1 6,-0.2 -15,-0.1 -0.662 28.2-174.9-165.7 107.3 10.0 13.2 11.2 21 21 A P S S- 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.814 99.4 -22.2 -72.0 -27.6 7.1 13.4 13.6 22 22 A I S S- 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.404 103.4 -81.5-145.8 -52.1 5.4 10.6 11.6 23 23 A G S S+ 0 0 35 -4,-0.0 -4,-0.1 -12,-0.0 0, 0.0 0.176 96.3 105.7 163.0 -26.3 6.8 10.6 8.0 24 24 A K S S+ 0 0 163 1,-0.1 -4,-0.1 3,-0.0 0, 0.0 0.797 102.1 30.2 -49.7 -22.7 5.1 13.3 5.9 25 25 A Y + 0 0 70 2,-0.0 -5,-0.2 15,-0.0 -1,-0.1 0.868 69.0 162.6 -98.5 -71.0 8.4 15.1 6.3 26 26 A b + 0 0 58 -7,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.958 26.5 161.0 45.9 60.1 11.3 12.4 6.6 27 27 A V E -B 19 0A 31 -8,-1.7 -8,-1.0 8,-0.1 2,-0.3 -0.943 15.9-177.7-116.6 119.3 13.9 15.1 5.8 28 28 A c E +B 18 0A 33 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.843 6.0 165.9-116.9 155.1 17.5 14.5 6.7 29 29 A Y E -B 17 0A 71 -12,-1.4 -12,-1.9 -2,-0.3 6,-0.1 -0.948 45.6-109.5-152.8 173.7 20.6 16.7 6.4 30 30 A D S S+ 0 0 105 -2,-0.3 2,-0.9 -14,-0.2 3,-0.1 0.886 103.4 70.2 -79.8 -36.9 24.2 16.9 7.6 31 31 A S S >> S- 0 0 41 1,-0.2 4,-1.8 -3,-0.1 3,-1.0 -0.687 74.5-152.7 -80.4 106.4 23.6 20.0 9.8 32 32 A K H 3> S+ 0 0 143 -2,-0.9 4,-1.9 1,-0.3 5,-0.2 0.881 100.7 59.0 -48.0 -30.5 21.5 18.6 12.7 33 33 A A H 3> S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.939 99.4 52.8 -63.1 -46.7 20.3 22.2 12.7 34 34 A I H <>>S+ 0 0 43 -3,-1.0 5,-1.3 2,-0.2 4,-0.6 0.864 104.8 59.2 -59.8 -30.6 19.1 22.0 9.1 35 35 A a H X5S+ 0 0 0 -4,-1.8 4,-0.9 3,-0.2 5,-0.2 0.999 113.1 34.3 -62.3 -61.4 17.1 19.0 10.2 36 36 A N H <5S+ 0 0 71 -4,-1.9 4,-0.5 2,-0.1 -2,-0.2 0.959 131.2 36.7 -55.9 -51.2 15.1 20.9 12.8 37 37 A K H ><5S+ 0 0 126 -4,-3.1 3,-0.8 -5,-0.2 -3,-0.2 0.999 125.6 26.6 -65.4 -81.4 15.1 24.1 10.6 38 38 A N H 3<5S+ 0 0 77 -4,-0.6 -3,-0.2 1,-0.2 -1,-0.1 0.691 101.6 86.3 -61.9 -22.5 14.8 23.2 6.8 39 39 A d T 3<< 0 0 8 -5,-1.3 -1,-0.2 -4,-0.9 -2,-0.1 0.883 360.0 360.0 -49.8 -48.7 12.9 19.9 7.4 40 40 A T < 0 0 89 -3,-0.8 -37,-0.1 -4,-0.5 -15,-0.0 -0.467 360.0 360.0 -73.1 360.0 9.4 21.3 7.6