==== 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 21-NOV-11 4A8G . 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) . 8789.0 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 . 55 34.6 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 . 10 6.3 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 . 4 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 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 2 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 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 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 52 0, 0.0 121,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-167.0 -7.6 -9.9 18.8 2 2 A V E -A 121 0A 72 119,-0.2 2,-0.5 123,-0.0 119,-0.2 -0.961 360.0-159.7-123.5 132.0 -6.1 -7.6 16.2 3 3 A F E -A 120 0A 57 117,-1.9 117,-2.4 -2,-0.4 2,-0.5 -0.942 19.4-153.0-102.7 125.2 -6.3 -3.8 15.7 4 4 A N E +A 119 0A 95 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.879 15.6 178.0-106.4 125.5 -5.4 -2.8 12.2 5 5 A Y E -A 118 0A 68 113,-2.2 113,-2.9 -2,-0.5 2,-0.4 -0.994 4.9-171.4-125.8 132.6 -3.9 0.7 11.3 6 6 A E E +A 117 0A 110 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.958 8.6 170.3-122.7 137.3 -2.9 1.8 7.7 7 7 A T E -A 116 0A 40 109,-2.8 109,-3.3 -2,-0.4 2,-0.3 -0.983 14.9-153.2-142.4 156.4 -1.1 4.9 6.7 8 8 A E E +A 115 0A 95 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.976 14.0 169.7-126.5 147.3 0.6 6.4 3.6 9 9 A T E -A 114 0A 23 105,-2.3 105,-3.0 -2,-0.3 2,-0.3 -0.965 22.4-129.2-146.6 161.9 3.4 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 -0.768 13.1-161.7-112.8 162.8 5.4 10.0 0.0 11 11 A S E -A 112 0A 7 101,-2.2 101,-2.2 -2,-0.3 4,-0.1 -0.967 24.1-139.1-136.0 153.6 9.1 10.3 -0.6 12 12 A V S S+ 0 0 97 -2,-0.3 101,-0.0 99,-0.2 -1,-0.0 0.504 82.6 90.6 -87.5 -3.8 11.1 12.3 -3.2 13 13 A I S S- 0 0 5 1,-0.1 -2,-0.1 99,-0.1 98,-0.1 -0.762 89.5-102.6 -95.3 133.2 13.5 9.3 -3.6 14 14 A P > - 0 0 65 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.185 34.7-112.4 -51.4 145.9 12.7 6.6 -6.2 15 15 A A H > S+ 0 0 4 96,-0.6 4,-2.4 1,-0.2 5,-0.2 0.840 110.4 49.0 -55.1 -45.8 11.3 3.3 -4.8 16 16 A A H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 114.7 43.4 -65.9 -47.9 14.3 1.0 -5.5 17 17 A R H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 115.0 49.5 -60.7 -49.1 16.9 3.2 -4.0 18 18 A L H X>S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.8 0.909 110.8 50.7 -56.3 -42.3 14.7 4.1 -1.0 19 19 A F H X>S+ 0 0 4 -4,-2.4 5,-2.6 -5,-0.2 4,-1.1 0.918 109.8 50.8 -62.7 -43.4 14.1 0.4 -0.4 20 20 A K H <5S+ 0 0 110 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.872 124.3 27.4 -62.9 -39.0 17.8 -0.4 -0.6 21 21 A A H X5S+ 0 0 0 -4,-2.3 4,-1.1 3,-0.2 8,-0.3 0.961 126.7 38.3 -86.8 -61.2 18.7 2.3 1.9 22 22 A F H <5S+ 0 0 18 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.839 133.7 19.7 -67.6 -37.9 15.6 2.8 4.2 23 23 A I T ><X S+ 0 0 50 -4,-1.1 4,-2.7 -6,-0.3 3,-1.0 0.160 79.3 120.8-120.2 21.7 20.3 -0.9 5.2 26 26 A G H <> + 0 0 4 -3,-1.3 4,-2.5 1,-0.2 -1,-0.1 0.822 68.8 60.4 -46.3 -43.0 18.2 0.3 8.2 27 27 A D H 34 S+ 0 0 65 -4,-0.2 -1,-0.2 1,-0.2 14,-0.2 0.799 115.8 33.9 -58.6 -38.4 20.6 -1.2 10.8 28 28 A N H <> S+ 0 0 74 -3,-1.0 4,-0.9 2,-0.1 -2,-0.2 0.905 122.6 42.4 -78.5 -54.0 23.4 0.9 9.5 29 29 A L H X>S+ 0 0 0 -4,-2.7 4,-3.1 -8,-0.3 5,-0.6 0.807 101.5 64.6 -69.2 -38.7 21.6 4.1 8.5 30 30 A F H X5S+ 0 0 34 -4,-2.5 4,-2.1 -5,-0.2 8,-0.3 0.943 108.4 38.2 -62.1 -48.8 19.1 4.7 11.3 31 31 A P H 45S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.787 119.8 49.8 -69.4 -25.7 21.7 5.2 14.1 32 32 A K H <5S+ 0 0 107 -4,-0.9 -2,-0.2 2,-0.1 -3,-0.1 0.946 123.8 25.4 -73.7 -51.9 24.0 7.2 11.7 33 33 A V H <5S+ 0 0 32 -4,-3.1 -3,-0.2 1,-0.2 3,-0.1 0.761 133.9 33.0 -89.8 -26.2 21.4 9.6 10.3 34 34 A A >X< + 0 0 0 -4,-2.1 4,-2.4 -5,-0.6 3,-1.8 -0.412 63.1 151.2-129.6 63.7 18.9 9.7 13.1 35 35 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.722 74.8 60.3 -63.9 -24.1 20.8 9.2 16.5 36 36 A Q T 34 S+ 0 0 110 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.440 115.0 34.6 -85.4 0.1 18.2 11.2 18.4 37 37 A A T <4 S+ 0 0 6 -3,-1.8 2,-0.4 1,-0.3 -1,-0.1 0.689 128.9 25.5-114.0 -42.0 15.6 8.7 17.4 38 38 A I < - 0 0 5 -4,-2.4 -1,-0.3 -8,-0.3 20,-0.2 -0.993 57.0-171.4-131.0 119.0 17.5 5.3 17.3 39 39 A S - 0 0 59 18,-2.3 2,-0.3 -2,-0.4 19,-0.2 0.891 68.9 -20.5 -80.4 -40.9 20.6 4.9 19.5 40 40 A S E -B 57 0A 52 17,-1.3 17,-2.2 2,-0.0 2,-0.4 -0.986 48.3-143.0-159.5 165.7 21.8 1.5 18.1 41 41 A V E -B 56 0A 28 -2,-0.3 2,-0.5 -14,-0.2 15,-0.2 -0.987 19.9-166.5-134.4 123.2 20.6 -1.6 16.2 42 42 A E E -B 55 0A 106 13,-2.9 13,-2.8 -2,-0.4 2,-0.7 -0.941 18.7-135.4-114.1 130.7 22.0 -5.0 17.1 43 43 A N E +B 54 0A 75 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.761 25.2 177.1 -82.4 117.0 21.7 -8.1 15.1 44 44 A I E - 0 0 61 9,-3.0 2,-0.3 -2,-0.7 10,-0.2 0.880 62.9 -11.0 -87.2 -43.9 20.7 -10.8 17.6 45 45 A E E S+B 53 0A 136 8,-1.7 8,-2.3 6,-0.0 -1,-0.4 -0.983 97.1 37.3-156.8 139.2 20.3 -13.8 15.2 46 46 A G - 0 0 41 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 -0.065 69.6 -97.3 107.4 165.9 20.0 -14.5 11.4 47 47 A N S S- 0 0 172 3,-0.2 -1,-0.1 -2,-0.0 4,-0.0 0.137 77.7 -77.5-113.2 15.0 21.4 -13.3 8.1 48 48 A G S S+ 0 0 33 1,-0.4 3,-0.1 -3,-0.2 -2,-0.1 0.316 99.1 92.6 117.2 -8.1 18.7 -10.9 7.2 49 49 A G S > S- 0 0 29 1,-0.3 3,-2.3 22,-0.1 -1,-0.4 -0.238 88.4 -25.1 -97.7-165.4 15.7 -12.9 5.9 50 50 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 22,-0.2 -0.079 131.1 21.2 -41.1 133.4 12.6 -14.4 7.6 51 51 A G T 3 S+ 0 0 43 20,-3.4 2,-0.1 1,-0.3 21,-0.1 0.215 81.3 145.5 89.7 -14.1 13.3 -14.9 11.3 52 52 A T < - 0 0 3 -3,-2.3 19,-2.5 19,-0.1 2,-0.4 -0.394 37.7-148.6 -58.8 126.2 16.2 -12.5 11.7 53 53 A I E +BC 45 70A 28 -8,-2.3 -9,-3.0 17,-0.2 -8,-1.7 -0.888 18.3 178.2-105.0 133.0 16.1 -10.8 15.2 54 54 A K E -BC 43 69A 21 15,-2.9 15,-2.3 -2,-0.4 2,-0.5 -0.926 21.3-142.2-128.0 146.5 17.4 -7.3 15.7 55 55 A K E -BC 42 68A 56 -13,-2.8 -13,-2.9 -2,-0.3 2,-0.6 -0.982 15.1-160.9-114.5 119.7 17.4 -5.3 19.0 56 56 A I E -BC 41 67A 18 11,-3.4 11,-2.0 -2,-0.5 2,-0.4 -0.919 6.7-157.7-104.6 115.4 16.6 -1.5 18.4 57 57 A S E -BC 40 66A 29 -17,-2.2 -18,-2.3 -2,-0.6 -17,-1.3 -0.819 5.6-143.8-100.5 138.2 17.7 0.7 21.3 58 58 A F - 0 0 26 7,-2.4 -20,-0.2 -2,-0.4 3,-0.1 -0.617 27.8 -97.4 -96.3 155.4 16.1 4.1 21.9 59 59 A P > - 0 0 25 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.181 55.2 -76.4 -65.7 163.8 18.0 7.2 23.2 60 60 A E T 3 S+ 0 0 200 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.254 118.3 29.9 -51.8 145.6 17.8 8.1 26.9 61 61 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.340 86.0 128.3 81.1 -1.2 14.6 9.8 27.9 62 62 A F S < S- 0 0 77 -3,-1.5 -1,-0.3 2,-0.2 -4,-0.1 -0.457 74.2-109.8 -78.0 157.3 12.3 8.0 25.3 63 63 A P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.840 102.4 41.6 -54.7 -35.5 9.1 6.2 26.6 64 64 A F - 0 0 67 1,-0.1 -2,-0.2 -5,-0.1 3,-0.1 -0.813 65.8-148.7-117.0 150.1 10.8 2.8 25.8 65 65 A K S S- 0 0 166 1,-0.3 -7,-2.4 -2,-0.3 2,-0.3 0.894 74.8 -31.2 -77.0 -49.0 14.2 1.3 26.3 66 66 A Y E -C 57 0A 44 -9,-0.3 23,-0.7 2,-0.0 2,-0.3 -0.974 47.2-144.6-161.6 160.3 14.3 -1.0 23.3 67 67 A V E -CD 56 88A 13 -11,-2.0 -11,-3.4 -2,-0.3 2,-0.6 -0.972 16.6-136.6-126.2 150.7 12.2 -3.3 21.0 68 68 A K E -CD 55 87A 42 19,-2.6 18,-2.9 -2,-0.3 19,-1.1 -0.944 25.1-165.3 -98.7 120.8 13.2 -6.6 19.5 69 69 A D E -CD 54 85A 26 -15,-2.3 -15,-2.9 -2,-0.6 2,-0.4 -0.880 5.8-156.3-107.8 144.4 12.1 -6.7 15.8 70 70 A R E -CD 53 84A 76 14,-2.3 14,-2.5 -2,-0.4 2,-0.2 -0.990 19.6-125.3-121.7 126.1 11.9 -9.9 13.7 71 71 A V E + D 0 83A 2 -19,-2.5 -20,-3.4 -2,-0.4 12,-0.3 -0.497 29.1 177.2 -63.3 127.9 12.1 -9.8 9.9 72 72 A D E - 0 0 44 10,-3.2 2,-0.3 1,-0.4 11,-0.2 0.821 62.3 -13.1-102.6 -48.9 9.1 -11.7 8.6 73 73 A E E - D 0 82A 114 9,-2.2 9,-2.5 -24,-0.1 -1,-0.4 -0.980 50.8-162.3-151.9 151.4 9.4 -11.3 4.7 74 74 A V E - D 0 81A 32 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.946 5.4-169.3-138.6 110.7 11.5 -9.3 2.4 75 75 A D E >> - 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0 0 96 25,-2.3 2,-0.3 -2,-0.3 26,-0.2 0.862 69.2 -20.4 -78.4 -43.2 1.7 -9.9 22.3 97 97 A K E - F 0 121A 65 24,-1.3 24,-3.1 -7,-0.1 2,-0.5 -0.992 45.4-137.6-162.9 152.1 3.1 -8.6 19.1 98 98 A I E -EF 85 120A 11 -13,-2.1 -13,-2.7 -2,-0.3 2,-0.4 -0.986 23.3-160.8-116.4 118.5 2.9 -5.8 16.5 99 99 A S E -EF 84 119A 22 20,-2.9 20,-3.0 -2,-0.5 2,-0.3 -0.854 11.9-167.6 -94.9 133.2 3.1 -7.1 12.9 100 100 A N E -EF 83 118A 4 -17,-3.0 -17,-1.4 -2,-0.4 2,-0.4 -0.902 14.5-165.3-125.7 148.7 4.0 -4.5 10.3 101 101 A E E -EF 82 117A 76 16,-2.8 16,-2.9 -2,-0.3 2,-0.4 -0.986 6.4-174.5-133.5 121.5 3.9 -4.4 6.5 102 102 A I E +EF 81 116A 15 -21,-2.7 -21,-2.8 -2,-0.4 2,-0.4 -0.983 3.0 179.9-114.9 125.3 5.7 -1.7 4.4 103 103 A K E -EF 80 115A 87 12,-2.2 12,-2.9 -2,-0.4 2,-0.5 -0.988 11.7-157.1-122.5 134.5 5.3 -1.5 0.6 104 104 A I E - F 0 114A 4 -25,-2.2 2,-0.4 -2,-0.4 10,-0.2 -0.967 10.6-166.8-116.2 121.2 7.1 1.1 -1.5 105 105 A V E - F 0 113A 66 8,-2.8 8,-2.5 -2,-0.5 2,-0.1 -0.925 20.2-122.4-111.1 131.7 5.7 2.0 -4.9 106 106 A A E - 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