==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 18-NOV-11 4A87 . COMPND 2 MOLECULE: MAJOR POLLEN ALLERGEN BET V 1-A; . SOURCE 2 ORGANISM_SCIENTIFIC: BETULA PENDULA; . AUTHOR S.KOFLER,H.BRANDSTETTER . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 76.7 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 . 57 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 1 0 1 0 1 1 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 1 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 G 0 0 54 0, 0.0 121,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-173.3 -7.6 -9.7 18.8 2 2 A V E -A 121 0A 78 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.959 360.0-164.9-127.4 130.1 -6.2 -7.5 16.1 3 3 A F E -A 120 0A 56 117,-2.2 117,-2.7 -2,-0.4 2,-0.5 -0.965 17.5-154.8-105.9 127.0 -6.3 -3.8 15.6 4 4 A N E +A 119 0A 72 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.899 13.7 179.4-109.5 130.1 -5.4 -2.6 12.1 5 5 A Y E -A 118 0A 64 113,-2.1 113,-2.7 -2,-0.5 2,-0.4 -0.989 4.6-173.2-126.5 135.1 -4.0 0.8 11.2 6 6 A E E +A 117 0A 150 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.955 8.9 163.6-129.0 143.8 -3.0 1.9 7.8 7 7 A T E -A 116 0A 42 109,-2.3 109,-3.0 -2,-0.4 2,-0.3 -0.969 18.6-150.5-149.3 165.0 -1.3 5.1 6.5 8 8 A E E +A 115 0A 116 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.982 14.6 173.9-135.8 149.1 0.5 6.3 3.5 9 9 A T E -A 114 0A 24 105,-2.1 105,-2.9 -2,-0.3 2,-0.3 -0.922 21.9-124.6-146.1 167.6 3.2 8.9 3.0 10 10 A T E -A 113 0A 86 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.819 15.1-165.0-116.0 158.2 5.3 10.1 0.1 11 11 A S E -A 112 0A 7 101,-2.6 101,-2.5 -2,-0.3 4,-0.1 -0.980 24.9-140.2-135.5 154.6 9.1 10.4 -0.6 12 12 A V S S+ 0 0 95 -2,-0.3 101,-0.1 99,-0.2 -1,-0.0 0.417 80.9 93.2 -87.8 -1.0 11.1 12.2 -3.2 13 13 A I S S- 0 0 4 99,-0.1 -2,-0.1 1,-0.1 97,-0.1 -0.784 87.9-104.4 -94.6 135.5 13.5 9.2 -3.5 14 14 A P > - 0 0 67 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.209 33.9-113.7 -54.5 147.2 12.8 6.5 -6.2 15 15 A A H > S+ 0 0 4 96,-0.6 4,-2.7 1,-0.2 5,-0.2 0.855 109.4 48.1 -56.8 -47.0 11.3 3.3 -4.8 16 16 A A H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 115.3 44.5 -68.2 -40.3 14.2 0.9 -5.4 17 17 A R H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.925 114.5 49.3 -68.0 -42.7 16.9 3.2 -3.9 18 18 A L H X>S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.8 0.915 111.7 49.4 -61.7 -42.8 14.7 4.0 -0.9 19 19 A F H X>S+ 0 0 4 -4,-2.7 5,-2.8 -5,-0.2 4,-0.9 0.931 110.4 50.8 -61.6 -43.7 13.9 0.3 -0.4 20 20 A K H <5S+ 0 0 99 -4,-2.3 5,-0.3 3,-0.2 -1,-0.2 0.885 124.4 28.0 -59.9 -40.8 17.7 -0.5 -0.5 21 21 A A H X5S+ 0 0 0 -4,-2.1 4,-0.9 3,-0.2 8,-0.3 0.955 127.2 35.9 -86.7 -62.8 18.5 2.2 2.0 22 22 A F H <5S+ 0 0 19 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.855 133.3 23.0 -65.8 -41.2 15.5 2.8 4.3 23 23 A I T ><X S+ 0 0 51 -4,-0.9 4,-2.8 -6,-0.3 3,-0.9 0.127 76.2 117.3-120.4 24.7 20.1 -0.9 5.4 26 26 A G H <> + 0 0 3 -3,-0.9 4,-2.6 1,-0.2 -1,-0.1 0.811 67.9 67.1 -61.4 -31.4 18.2 0.6 8.3 27 27 A D H 34 S+ 0 0 62 -4,-0.2 14,-0.3 1,-0.2 -1,-0.2 0.874 114.4 29.9 -56.3 -38.7 20.5 -1.2 10.8 28 28 A N H <> S+ 0 0 73 -3,-0.9 4,-0.9 2,-0.1 -2,-0.2 0.886 125.3 45.9 -81.2 -49.3 23.4 1.0 9.6 29 29 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -8,-0.3 5,-0.4 0.875 100.9 59.9 -71.0 -43.7 21.5 4.0 8.6 30 30 A F H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.3 8,-0.3 0.934 108.4 42.7 -59.4 -46.5 19.1 4.7 11.4 31 31 A P H 4 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.792 118.8 48.4 -67.5 -25.5 21.6 5.2 14.2 32 32 A K H < S+ 0 0 103 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.915 122.7 27.5 -75.4 -47.6 23.8 7.3 11.8 33 33 A V H < S+ 0 0 29 -4,-3.0 -3,-0.2 1,-0.2 -1,-0.1 0.694 134.1 29.9 -93.4 -20.6 21.2 9.6 10.4 34 34 A A >X + 0 0 0 -4,-2.3 4,-2.4 -5,-0.4 3,-2.3 -0.386 63.7 151.4-136.7 58.5 18.7 9.7 13.3 35 35 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.728 75.7 60.0 -65.8 -20.6 20.7 9.2 16.5 36 36 A Q T 34 S+ 0 0 114 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.421 114.6 36.2 -83.6 1.0 18.2 11.2 18.4 37 37 A A T <4 S+ 0 0 3 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.643 129.4 23.0-113.5 -38.0 15.5 8.7 17.4 38 38 A I < - 0 0 4 -4,-2.4 -1,-0.3 -8,-0.3 20,-0.2 -0.989 57.2-170.3-136.4 118.7 17.4 5.3 17.4 39 39 A S - 0 0 60 18,-2.1 2,-0.3 -2,-0.4 19,-0.2 0.874 69.4 -17.6 -81.0 -37.1 20.6 4.9 19.5 40 40 A S E -B 57 0A 50 17,-1.2 17,-2.5 2,-0.0 2,-0.4 -0.988 47.6-143.5-161.8 160.2 21.7 1.5 18.1 41 41 A V E -B 56 0A 30 -2,-0.3 2,-0.5 -14,-0.3 15,-0.2 -0.991 19.7-166.4-131.6 119.3 20.5 -1.6 16.1 42 42 A E E -B 55 0A 103 13,-2.6 13,-2.6 -2,-0.4 2,-0.6 -0.928 17.5-138.3-108.5 125.5 21.9 -5.0 17.1 43 43 A N E +B 54 0A 75 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.745 25.0 176.1 -77.9 121.3 21.6 -8.1 15.0 44 44 A I E - 0 0 65 9,-2.9 2,-0.3 -2,-0.6 10,-0.2 0.854 62.1 -12.2 -93.4 -45.2 20.7 -10.9 17.4 45 45 A E E S+B 53 0A 141 8,-1.4 8,-2.3 1,-0.0 -1,-0.4 -0.978 98.6 41.3-156.8 145.5 20.2 -13.8 15.1 46 46 A G - 0 0 37 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 0.062 69.4-102.8 98.8 160.0 19.8 -14.4 11.4 47 47 A N S S- 0 0 167 3,-0.1 -1,-0.1 5,-0.0 4,-0.0 0.123 75.8 -72.5-113.3 17.5 21.3 -13.2 8.2 48 48 A G S S+ 0 0 36 1,-0.4 3,-0.1 -3,-0.2 -2,-0.0 0.098 100.9 90.7 123.2 -19.2 18.6 -10.7 7.0 49 49 A G S > S- 0 0 30 1,-0.2 3,-2.4 22,-0.0 -1,-0.4 -0.134 89.6 -28.5 -92.6-169.8 15.7 -12.8 5.8 50 50 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.131 129.4 23.4 -41.3 129.0 12.6 -14.2 7.5 51 51 A G T 3 S+ 0 0 41 20,-3.5 21,-0.1 1,-0.3 2,-0.1 0.175 80.4 144.2 96.4 -13.6 13.2 -14.8 11.2 52 52 A T < - 0 0 3 -3,-2.4 19,-2.7 19,-0.1 2,-0.5 -0.366 37.2-150.3 -62.7 134.4 16.1 -12.4 11.7 53 53 A I E +BC 45 70A 30 -8,-2.3 -9,-2.9 17,-0.2 -8,-1.4 -0.922 16.3 180.0-112.9 130.8 15.9 -10.8 15.1 54 54 A K E -BC 43 69A 22 15,-2.6 15,-2.5 -2,-0.5 2,-0.6 -0.969 21.6-140.7-127.4 143.3 17.2 -7.2 15.8 55 55 A K E -BC 42 68A 58 -13,-2.6 -13,-2.6 -2,-0.4 2,-0.6 -0.940 16.6-162.8-105.9 115.4 17.3 -5.2 19.0 56 56 A I E -BC 41 67A 20 11,-3.2 11,-2.2 -2,-0.6 2,-0.4 -0.919 7.0-159.5-101.9 115.7 16.5 -1.6 18.4 57 57 A S E -BC 40 66A 27 -17,-2.5 -18,-2.1 -2,-0.6 -17,-1.2 -0.805 4.7-144.8 -99.3 141.2 17.5 0.7 21.3 58 58 A F - 0 0 38 7,-2.3 -20,-0.2 -2,-0.4 3,-0.1 -0.667 27.3 -95.3 -98.3 155.6 16.0 4.1 21.9 59 59 A P > - 0 0 24 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.169 54.2 -77.9 -62.5 161.5 17.8 7.1 23.2 60 60 A E T 3 S+ 0 0 196 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.242 117.8 30.6 -54.6 144.1 17.7 8.1 26.9 61 61 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.278 86.9 127.8 84.2 -5.2 14.4 9.8 27.8 62 62 A F S < S- 0 0 75 -3,-1.8 -1,-0.3 2,-0.2 -4,-0.1 -0.325 73.5-110.5 -75.7 159.5 12.3 8.0 25.3 63 63 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.884 100.7 37.3 -57.5 -36.4 9.1 6.2 26.4 64 64 A F - 0 0 89 1,-0.1 -2,-0.2 -5,-0.1 -6,-0.1 -0.845 67.3-144.4-119.3 152.6 10.6 2.8 25.8 65 65 A K S S- 0 0 172 -2,-0.3 -7,-2.3 1,-0.3 2,-0.3 0.902 73.8 -34.3 -78.2 -48.5 14.1 1.3 26.3 66 66 A Y E -C 57 0A 50 -9,-0.2 23,-0.6 2,-0.0 2,-0.3 -0.978 46.2-143.4-160.8 165.3 14.1 -1.0 23.3 67 67 A V E -CD 56 88A 13 -11,-2.2 -11,-3.2 -2,-0.3 2,-0.5 -0.973 14.7-138.7-132.6 153.2 12.2 -3.3 21.0 68 68 A K E -CD 55 87A 36 19,-2.7 18,-2.7 -2,-0.3 19,-1.1 -0.973 24.3-165.2-102.9 127.8 13.1 -6.5 19.4 69 69 A D E -CD 54 85A 29 -15,-2.5 -15,-2.6 -2,-0.5 2,-0.5 -0.872 8.1-151.6-113.6 148.9 11.9 -6.8 15.8 70 70 A R E -CD 53 84A 75 14,-2.7 14,-2.6 -2,-0.4 2,-0.3 -0.972 18.8-126.5-121.3 128.3 11.7 -9.9 13.7 71 71 A V E + D 0 83A 2 -19,-2.7 -20,-3.5 -2,-0.5 12,-0.3 -0.584 28.6 177.7 -68.8 130.1 11.9 -9.8 9.9 72 72 A D E - 0 0 42 10,-2.9 2,-0.3 1,-0.4 11,-0.2 0.835 61.5 -10.5 -99.5 -49.1 8.9 -11.7 8.5 73 73 A E E - D 0 82A 117 9,-1.8 9,-2.7 -24,-0.1 2,-0.4 -0.986 50.9-161.2-156.2 144.0 9.2 -11.3 4.7 74 74 A V E - D 0 81A 33 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.973 5.7-171.2-134.2 112.5 11.4 -9.3 2.3 75 75 A D E >> - 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