==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 24-APR-98 2BBG . 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) . 2975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 55.0 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 . 7 17.5 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 0 1 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 . 0 1 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 0 169 0, 0.0 2,-0.6 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -14.8 12.4 4.0 3.0 2 2 A D + 0 0 140 38,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.691 360.0 89.4 -83.6 118.9 13.3 0.6 4.6 3 3 A G - 0 0 43 -2,-0.6 2,-0.2 17,-0.1 37,-0.1 -0.835 49.6-147.5 165.9 156.0 11.8 -2.3 2.5 4 4 A L - 0 0 127 -2,-0.2 2,-0.3 31,-0.0 16,-0.3 -0.765 11.8-139.3-131.9 179.3 12.5 -4.6 -0.4 5 5 A a - 0 0 38 -2,-0.2 2,-0.3 14,-0.2 14,-0.2 -0.997 12.2-174.4-145.4 150.6 10.4 -6.3 -3.2 6 6 A Y E -A 18 0A 72 12,-2.1 12,-1.9 -2,-0.3 2,-0.4 -0.918 16.7-133.1-138.4 163.0 10.3 -9.7 -4.9 7 7 A E E +A 17 0A 143 -2,-0.3 2,-0.3 10,-0.2 10,-0.1 -0.910 55.0 71.2-123.1 151.5 8.3 -11.2 -7.8 8 8 A G S S- 0 0 37 8,-0.5 7,-0.4 -2,-0.4 8,-0.2 -0.884 88.9 -64.7 154.2-121.3 6.4 -14.4 -8.3 9 9 A T S > S+ 0 0 90 -2,-0.3 3,-1.1 5,-0.1 5,-0.2 0.128 79.4 119.8-154.7 23.6 3.1 -15.7 -6.8 10 10 A N T 3 S+ 0 0 126 1,-0.3 -3,-0.0 3,-0.1 4,-0.0 0.715 89.0 36.8 -73.7 -13.9 3.5 -16.1 -3.0 11 11 A b T 3 S- 0 0 31 16,-0.0 -1,-0.3 7,-0.0 17,-0.1 0.059 125.5 -94.1-121.0 24.2 0.8 -13.5 -2.3 12 12 A G S < S+ 0 0 61 -3,-1.1 2,-1.3 1,-0.2 -2,-0.1 0.745 81.5 143.7 72.3 17.5 -1.5 -14.5 -5.1 13 13 A K > + 0 0 2 2,-0.1 3,-1.1 3,-0.1 2,-0.7 -0.253 19.1 167.7 -87.8 52.9 0.2 -11.7 -7.1 14 14 A V T 3 S+ 0 0 106 -2,-1.3 -5,-0.1 1,-0.3 3,-0.1 -0.512 75.6 9.0 -66.7 110.7 0.1 -13.6 -10.4 15 15 A G T 3 S+ 0 0 71 -2,-0.7 -1,-0.3 -7,-0.4 2,-0.1 0.122 130.4 55.1 103.8 -22.8 1.0 -10.9 -13.0 16 16 A K S < S- 0 0 91 -3,-1.1 -8,-0.5 -8,-0.2 -1,-0.4 -0.185 83.0-110.0-119.9-145.7 2.0 -8.2 -10.4 17 17 A Y E -AB 7 29A 73 12,-2.0 12,-1.4 -10,-0.1 2,-0.3 -0.906 16.5-138.4-146.0 174.9 4.5 -8.2 -7.5 18 18 A c E -AB 6 28A 0 -12,-1.9 -12,-2.1 -2,-0.3 2,-0.4 -0.940 3.6-148.6-137.4 161.2 4.7 -8.2 -3.6 19 19 A d E + B 0 27A 8 8,-1.8 8,-1.6 -2,-0.3 -14,-0.2 -0.984 30.5 139.0-134.5 127.9 6.7 -6.5 -0.9 20 20 A S - 0 0 20 -2,-0.4 -17,-0.1 -16,-0.3 -2,-0.0 -0.836 38.6-151.4-165.9 124.8 7.6 -7.9 2.6 21 21 A P S S+ 0 0 86 0, 0.0 -16,-0.1 0, 0.0 -18,-0.0 0.468 104.9 6.0 -79.7 1.3 10.8 -7.8 4.6 22 22 A I S S- 0 0 123 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.264 108.3 -96.3-163.8 11.3 9.9 -11.1 6.3 23 23 A G S S+ 0 0 49 1,-0.0 -3,-0.0 0, 0.0 -4,-0.0 0.628 99.1 108.5 76.2 11.5 6.8 -12.4 4.6 24 24 A K S S+ 0 0 132 1,-0.1 -4,-0.1 3,-0.0 -1,-0.0 0.841 80.5 36.6 -87.9 -35.5 4.7 -10.9 7.4 25 25 A Y S S- 0 0 149 2,-0.1 -5,-0.1 0, 0.0 -1,-0.1 0.885 73.9-175.5 -84.9 -41.1 3.1 -8.0 5.4 26 26 A b + 0 0 57 1,-0.2 2,-0.6 -8,-0.0 -6,-0.2 0.942 18.4 168.0 41.8 67.7 2.6 -9.7 2.0 27 27 A V E -B 19 0A 42 -8,-1.6 -8,-1.8 8,-0.0 2,-0.3 -0.936 9.2-177.5-114.7 116.7 1.4 -6.5 0.3 28 28 A c E +B 18 0A 33 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.773 10.5 174.3-116.3 161.8 1.2 -6.6 -3.5 29 29 A Y E -B 17 0A 65 -12,-1.4 -12,-2.0 -2,-0.3 6,-0.1 -0.917 40.6-109.4-149.4 174.6 0.3 -4.2 -6.2 30 30 A D S S+ 0 0 102 -2,-0.3 2,-0.7 -14,-0.2 3,-0.1 0.907 102.1 65.8 -81.5 -40.7 0.2 -4.1 -10.0 31 31 A S S >> S- 0 0 41 1,-0.2 4,-1.7 -15,-0.1 3,-0.6 -0.696 74.8-149.1 -81.2 113.9 3.1 -1.6 -10.5 32 32 A K H 3> S+ 0 0 97 -2,-0.7 4,-1.6 1,-0.3 3,-0.4 0.932 104.9 57.9 -49.4 -35.1 6.3 -3.4 -9.2 33 33 A A H 3> S+ 0 0 59 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.947 97.7 56.5 -58.5 -46.3 7.2 0.2 -8.5 34 34 A I H <4>S+ 0 0 39 -3,-0.6 5,-1.8 3,-0.2 4,-0.3 0.852 100.9 62.4 -57.2 -25.7 4.1 0.5 -6.3 35 35 A a H X5S+ 0 0 0 -4,-1.7 4,-1.1 -3,-0.4 -2,-0.2 0.998 113.6 29.9 -61.2 -67.4 5.5 -2.4 -4.5 36 36 A N H X5S+ 0 0 82 -4,-1.6 4,-0.5 2,-0.1 -2,-0.2 0.962 132.4 38.6 -54.5 -53.9 8.7 -0.5 -3.4 37 37 A K H ><5S+ 0 0 136 -4,-3.2 3,-1.5 -5,-0.2 -3,-0.2 0.998 125.6 27.6 -61.9 -79.1 6.8 2.9 -3.3 38 38 A N H 345S+ 0 0 63 -4,-0.3 -3,-0.2 1,-0.3 -1,-0.2 0.812 104.8 78.5 -60.3 -30.5 3.2 2.3 -1.9 39 39 A d H 3<< 0 0 35 -5,-1.8 -1,-0.3 -4,-1.1 -2,-0.2 0.827 360.0 360.0 -51.0 -28.7 4.3 -0.7 0.1 40 40 A T << 0 0 137 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.644 360.0 360.0 -76.6 360.0 5.8 1.8 2.7