==== 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 4A86 . 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) . 8825.0 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 . 56 35.2 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 . 15 9.4 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 1 0 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 71 0, 0.0 121,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-169.7 -7.7 -9.6 19.0 2 2 A V E -A 121 0A 77 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.954 360.0-165.0-120.7 127.2 -6.2 -7.5 16.2 3 3 A F E -A 120 0A 58 117,-2.3 117,-2.8 -2,-0.4 2,-0.5 -0.967 16.2-154.3-105.1 126.1 -6.3 -3.7 15.7 4 4 A N E -A 119 0A 67 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.876 13.4-179.2-108.7 128.9 -5.3 -2.6 12.2 5 5 A Y E -A 118 0A 56 113,-2.6 113,-2.7 -2,-0.5 2,-0.3 -0.981 5.3-172.5-126.0 136.5 -3.9 0.8 11.4 6 6 A E E +A 117 0A 137 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.966 8.4 167.3-132.2 146.7 -3.0 2.1 8.0 7 7 A T E -A 116 0A 43 109,-2.1 109,-2.8 -2,-0.3 2,-0.4 -0.982 18.2-150.6-151.4 160.8 -1.2 5.1 6.6 8 8 A E E +A 115 0A 113 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.973 19.0 170.9-131.3 142.8 0.3 6.3 3.3 9 9 A T E -A 114 0A 20 105,-2.0 105,-3.2 -2,-0.4 2,-0.3 -0.959 22.5-126.3-149.4 163.8 3.1 8.8 3.0 10 10 A T E -A 113 0A 84 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.729 14.5-164.4-116.1 159.1 5.3 10.0 0.1 11 11 A S E -A 112 0A 7 101,-2.7 101,-2.6 -2,-0.3 4,-0.1 -0.988 24.2-140.1-137.4 152.7 9.0 10.2 -0.5 12 12 A V S S+ 0 0 90 -2,-0.3 -1,-0.1 99,-0.2 101,-0.1 0.506 80.8 91.5 -84.4 -4.8 11.1 12.1 -3.0 13 13 A I S S- 0 0 3 99,-0.1 -2,-0.1 1,-0.1 98,-0.1 -0.731 87.4-104.5 -94.0 137.1 13.4 9.1 -3.4 14 14 A P > - 0 0 64 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.207 34.3-111.8 -56.8 150.3 12.8 6.4 -6.0 15 15 A A H > S+ 0 0 4 96,-0.6 4,-2.8 1,-0.2 5,-0.2 0.848 110.0 46.2 -56.9 -48.2 11.4 3.2 -4.8 16 16 A A H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 116.0 45.3 -66.7 -40.9 14.3 0.8 -5.3 17 17 A R H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 114.4 48.4 -69.8 -43.3 16.9 3.1 -3.8 18 18 A L H X>S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.9 0.925 111.6 50.9 -61.8 -44.1 14.6 4.0 -0.8 19 19 A F H X>S+ 0 0 5 -4,-2.8 5,-2.5 -5,-0.2 4,-0.8 0.920 110.0 49.5 -58.9 -45.8 14.0 0.3 -0.3 20 20 A K H <5S+ 0 0 103 -4,-2.2 5,-0.4 3,-0.2 -1,-0.2 0.892 124.2 29.2 -59.8 -41.6 17.7 -0.5 -0.4 21 21 A A H X5S+ 0 0 0 -4,-2.2 4,-0.8 3,-0.2 8,-0.3 0.961 127.7 34.0 -83.9 -61.4 18.6 2.2 2.1 22 22 A F H <5S+ 0 0 21 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.857 132.9 25.2 -72.4 -39.5 15.6 2.8 4.4 23 23 A I T ><X S+ 0 0 52 -4,-0.8 4,-2.6 -5,-0.4 3,-0.9 0.071 75.9 119.4-119.6 21.4 20.1 -1.0 5.5 26 26 A G H <> + 0 0 4 -3,-0.7 4,-2.7 1,-0.2 -1,-0.1 0.824 68.3 67.0 -49.8 -36.3 18.2 0.5 8.4 27 27 A D H 34 S+ 0 0 60 -4,-0.2 -1,-0.2 1,-0.2 14,-0.2 0.855 113.4 30.2 -55.9 -40.2 20.6 -1.2 10.9 28 28 A N H <> S+ 0 0 73 -3,-0.9 4,-0.9 2,-0.1 -2,-0.2 0.899 124.3 44.9 -83.7 -46.7 23.4 1.0 9.7 29 29 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 -8,-0.3 5,-0.4 0.880 100.9 61.7 -71.8 -41.9 21.5 4.1 8.6 30 30 A F H X S+ 0 0 34 -4,-2.7 4,-2.4 1,-0.3 8,-0.3 0.928 108.0 41.5 -60.9 -47.2 19.1 4.8 11.5 31 31 A P H 4 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.806 119.9 47.7 -65.0 -25.0 21.7 5.3 14.3 32 32 A K H < S+ 0 0 106 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.930 123.2 28.5 -78.6 -49.1 23.9 7.3 11.8 33 33 A V H < S+ 0 0 31 -4,-3.1 -3,-0.2 1,-0.2 -1,-0.1 0.660 134.1 29.2 -91.0 -17.7 21.2 9.6 10.4 34 34 A A >X + 0 0 9 -4,-2.4 4,-2.4 -5,-0.4 3,-2.3 -0.330 63.8 151.7-139.1 52.6 18.8 9.8 13.4 35 35 A P T 34 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.748 75.6 59.9 -59.3 -24.2 20.9 9.3 16.6 36 36 A Q T 34 S+ 0 0 153 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.442 115.2 34.3 -83.3 0.3 18.3 11.3 18.5 37 37 A A T <4 S+ 0 0 7 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.606 128.9 27.8-113.2 -36.4 15.6 8.8 17.6 38 38 A I < - 0 0 4 -4,-2.4 -1,-0.3 -8,-0.3 20,-0.2 -0.976 56.0-172.4-134.0 119.1 17.6 5.5 17.5 39 39 A S - 0 0 61 18,-2.0 2,-0.3 -2,-0.4 19,-0.2 0.864 69.0 -19.6 -82.2 -35.6 20.7 4.9 19.7 40 40 A S E -B 57 0A 52 17,-1.2 17,-2.4 2,-0.0 2,-0.4 -0.987 47.0-141.4-165.6 161.3 21.7 1.5 18.2 41 41 A V E -B 56 0A 28 -2,-0.3 2,-0.5 -14,-0.2 15,-0.2 -0.981 20.0-165.5-135.3 119.2 20.6 -1.5 16.3 42 42 A E E -B 55 0A 99 13,-2.9 13,-2.8 -2,-0.4 2,-0.7 -0.917 17.0-139.7-109.1 127.4 21.9 -4.9 17.2 43 43 A N E +B 54 0A 74 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.760 22.6 178.4 -82.6 115.2 21.6 -8.0 15.1 44 44 A I E - 0 0 69 9,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.898 62.5 -21.7 -88.4 -44.9 20.8 -10.8 17.5 45 45 A E E S+B 53 0A 87 8,-1.4 8,-2.2 6,-0.0 -1,-0.4 -0.982 95.2 51.0-164.5 154.8 20.5 -13.6 15.0 46 46 A G S S- 0 0 39 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 -0.006 70.6 -99.7 97.3 160.8 19.9 -14.3 11.3 47 47 A N S S- 0 0 173 3,-0.2 -1,-0.1 -2,-0.0 4,-0.0 0.030 75.1 -79.2-106.7 18.9 21.4 -13.1 8.0 48 48 A G S S+ 0 0 35 1,-0.4 3,-0.1 -3,-0.2 -2,-0.1 0.171 100.3 98.7 110.2 -16.7 18.6 -10.6 7.2 49 49 A G S > S- 0 0 29 1,-0.2 3,-2.3 22,-0.1 -1,-0.4 -0.117 88.3 -33.9 -88.2-172.7 15.9 -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 -0.151 130.3 26.8 -44.1 126.8 12.7 -14.1 7.5 51 51 A G T 3 S+ 0 0 32 20,-3.7 2,-0.1 1,-0.3 21,-0.1 0.192 81.4 142.1 103.9 -16.2 13.4 -14.9 11.2 52 52 A T < - 0 0 3 -3,-2.3 19,-3.0 19,-0.1 2,-0.5 -0.403 38.3-150.6 -61.2 132.3 16.2 -12.3 11.7 53 53 A I E -BC 45 70A 24 -8,-2.2 -9,-3.0 17,-0.2 -8,-1.4 -0.917 15.2-178.0-111.1 130.2 16.0 -10.7 15.1 54 54 A K E -BC 43 69A 22 15,-2.8 15,-3.2 -2,-0.5 2,-0.6 -0.978 20.0-143.5-127.2 139.3 17.2 -7.1 15.8 55 55 A K E -BC 42 68A 58 -13,-2.8 -13,-2.9 -2,-0.4 2,-0.6 -0.921 16.0-164.0-105.9 116.3 17.3 -5.2 19.0 56 56 A I E -BC 41 67A 19 11,-3.2 11,-2.3 -2,-0.6 2,-0.4 -0.908 7.6-160.0-103.3 114.3 16.5 -1.5 18.4 57 57 A S E -BC 40 66A 25 -17,-2.4 -18,-2.0 -2,-0.6 -17,-1.2 -0.804 4.5-145.0-100.7 141.6 17.5 0.7 21.4 58 58 A F - 0 0 40 7,-2.3 -20,-0.2 -2,-0.4 3,-0.1 -0.666 26.7 -94.1-102.0 157.2 16.1 4.2 22.0 59 59 A P > - 0 0 25 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.201 54.8 -78.8 -64.2 158.5 17.9 7.2 23.5 60 60 A E T 3 S+ 0 0 197 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.230 117.7 33.3 -50.3 143.1 17.6 8.1 27.1 61 61 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.325 87.2 126.7 89.4 -10.3 14.4 9.8 28.0 62 62 A F S < S- 0 0 73 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.0 -0.382 73.8-110.5 -76.3 160.3 12.3 7.9 25.5 63 63 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.899 100.5 35.2 -57.5 -37.9 9.2 6.0 26.6 64 64 A F - 0 0 68 1,-0.1 -2,-0.1 -5,-0.1 -6,-0.1 -0.825 66.7-143.4-119.6 151.8 10.7 2.6 26.0 65 65 A K S S- 0 0 171 1,-0.3 -7,-2.3 -2,-0.3 2,-0.3 0.903 75.7 -35.9 -76.5 -46.8 14.2 1.3 26.4 66 66 A Y E -C 57 0A 54 -9,-0.3 23,-0.5 2,-0.0 2,-0.3 -0.977 46.0-139.3-162.4 168.4 14.2 -1.0 23.3 67 67 A V E -C 56 0A 14 -11,-2.3 -11,-3.2 -2,-0.3 2,-0.5 -0.974 15.1-138.2-135.1 152.1 12.2 -3.3 21.1 68 68 A K E -CD 55 87A 48 19,-2.8 18,-2.8 -2,-0.3 19,-1.2 -0.962 24.0-164.5-103.6 125.9 13.2 -6.5 19.5 69 69 A D E -CD 54 85A 27 -15,-3.2 -15,-2.8 -2,-0.5 2,-0.5 -0.875 6.7-152.5-112.1 146.4 11.9 -6.8 15.9 70 70 A R E -CD 53 84A 76 14,-2.8 14,-2.6 -2,-0.4 2,-0.3 -0.971 17.9-127.9-119.0 126.4 11.7 -9.9 13.8 71 71 A V E + D 0 83A 3 -19,-3.0 -20,-3.7 -2,-0.5 12,-0.3 -0.600 29.0 175.2 -69.3 130.6 11.9 -9.9 10.0 72 72 A D E - 0 0 42 10,-2.8 2,-0.3 1,-0.4 11,-0.2 0.801 60.9 -5.1-102.2 -47.9 9.0 -11.7 8.6 73 73 A E E - D 0 82A 108 9,-2.0 9,-2.6 -24,-0.1 2,-0.4 -0.983 49.6-165.1-154.2 145.0 9.3 -11.3 4.8 74 74 A V E - D 0 81A 34 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.972 5.2-175.2-136.8 112.9 11.5 -9.4 2.3 75 75 A D E >> - 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