==== 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 4A83 . 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) . 9034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 77.4 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 . 54 34.0 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 . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 21.4 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 . 0 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 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 64 0, 0.0 121,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-170.6 -7.6 -9.6 19.0 2 2 A V E -A 121 0A 76 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.956 360.0-163.5-126.5 131.2 -6.2 -7.4 16.3 3 3 A F E -A 120 0A 56 117,-2.2 117,-2.7 -2,-0.4 2,-0.5 -0.975 17.8-155.6-109.1 125.2 -6.3 -3.7 15.7 4 4 A N E +A 119 0A 68 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.893 13.5 179.6-108.6 127.8 -5.3 -2.7 12.1 5 5 A Y E -A 118 0A 54 113,-3.0 113,-3.0 -2,-0.5 2,-0.4 -0.993 4.9-173.2-126.7 128.6 -3.9 0.7 11.2 6 6 A E E +A 117 0A 149 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.942 10.0 162.4-122.4 142.7 -3.0 1.7 7.7 7 7 A T E -A 116 0A 38 109,-2.3 109,-2.9 -2,-0.4 2,-0.3 -0.966 20.7-147.2-150.2 166.2 -1.3 4.8 6.4 8 8 A E E +A 115 0A 115 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.984 12.8 179.0-134.2 149.7 0.6 6.2 3.5 9 9 A T E -A 114 0A 19 105,-2.0 105,-3.3 -2,-0.3 2,-0.3 -0.987 21.3-124.9-147.8 154.0 3.4 8.7 3.1 10 10 A T E -A 113 0A 90 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.696 17.4-167.2-100.7 154.6 5.4 10.0 0.2 11 11 A S E -A 112 0A 7 101,-2.9 101,-2.5 -2,-0.3 4,-0.1 -0.971 24.7-142.1-132.7 152.1 9.1 10.2 -0.4 12 12 A V S S+ 0 0 92 -2,-0.3 101,-0.1 99,-0.2 -1,-0.0 0.452 79.7 92.2 -88.2 -0.8 11.1 12.1 -3.0 13 13 A I S S- 0 0 3 99,-0.1 -2,-0.1 1,-0.1 97,-0.1 -0.755 87.9-105.1 -96.2 135.3 13.5 9.1 -3.4 14 14 A P > - 0 0 65 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.258 34.5-112.6 -55.6 147.8 12.9 6.5 -6.1 15 15 A A H > S+ 0 0 5 96,-0.6 4,-2.7 1,-0.2 5,-0.2 0.856 110.1 48.0 -54.6 -49.8 11.5 3.2 -4.7 16 16 A A H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 115.1 45.5 -63.6 -42.7 14.4 0.9 -5.4 17 17 A R H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.916 113.3 49.4 -67.7 -41.6 17.0 3.2 -3.9 18 18 A L H X>S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.7 0.915 111.8 49.7 -62.7 -42.2 14.8 4.0 -0.9 19 19 A F H X>S+ 0 0 5 -4,-2.7 5,-2.5 -5,-0.2 4,-1.1 0.921 109.8 50.8 -60.3 -45.5 14.3 0.2 -0.3 20 20 A K H <5S+ 0 0 96 -4,-2.4 5,-0.3 3,-0.2 -1,-0.2 0.874 123.2 30.6 -59.9 -39.4 18.0 -0.5 -0.6 21 21 A A H X5S+ 0 0 0 -4,-2.0 4,-0.9 3,-0.2 8,-0.3 0.964 125.9 35.9 -85.2 -63.2 18.8 2.3 2.0 22 22 A F H <5S+ 0 0 23 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.845 134.7 22.0 -65.8 -40.0 15.9 2.5 4.4 23 23 A I T ><X S+ 0 0 52 -4,-0.9 4,-2.5 -5,-0.3 3,-0.9 0.117 83.7 117.4-125.0 25.5 20.7 -0.9 5.2 26 26 A G H <> + 0 0 2 -3,-0.9 4,-2.5 1,-0.2 -2,-0.1 0.816 67.4 65.7 -63.6 -30.3 18.6 0.5 8.0 27 27 A D H 34 S+ 0 0 61 -4,-0.3 14,-0.3 1,-0.2 -1,-0.2 0.867 113.5 33.1 -60.4 -36.1 20.6 -1.1 10.7 28 28 A N H <> S+ 0 0 71 -3,-0.9 4,-0.8 2,-0.1 -2,-0.2 0.875 121.7 47.8 -81.6 -47.5 23.5 1.2 9.7 29 29 A L H >X S+ 0 0 0 -4,-2.5 4,-3.2 -8,-0.3 3,-0.6 0.921 101.5 58.5 -68.7 -44.7 21.6 4.2 8.6 30 30 A F H 3X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.3 8,-0.3 0.920 109.2 42.1 -60.8 -46.3 19.1 4.8 11.4 31 31 A P H 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.767 119.5 48.3 -68.7 -20.7 21.6 5.3 14.2 32 32 A K H << S+ 0 0 105 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.912 123.8 26.6 -80.0 -49.1 23.8 7.4 11.9 33 33 A V H < S+ 0 0 33 -4,-3.2 -3,-0.2 1,-0.2 3,-0.1 0.689 134.3 29.2 -96.2 -17.8 21.2 9.7 10.5 34 34 A A >X + 0 0 8 -4,-2.5 4,-2.6 -5,-0.4 3,-2.3 -0.361 64.1 151.0-137.0 54.4 18.7 9.8 13.3 35 35 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.695 75.1 59.5 -63.5 -19.2 20.6 9.2 16.6 36 36 A Q T 34 S+ 0 0 157 1,-0.1 3,-0.1 -3,-0.1 22,-0.0 0.342 114.9 36.4 -89.0 7.8 18.0 11.2 18.5 37 37 A A T <4 S+ 0 0 6 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.648 130.7 21.1-117.1 -46.1 15.3 8.7 17.4 38 38 A I < - 0 0 9 -4,-2.6 -1,-0.3 -8,-0.3 20,-0.2 -0.986 59.3-169.1-128.6 120.1 17.2 5.4 17.4 39 39 A S - 0 0 55 18,-1.9 2,-0.3 -2,-0.4 19,-0.2 0.855 68.9 -19.0 -78.5 -34.8 20.3 5.0 19.5 40 40 A S E -B 57 0A 51 17,-1.1 17,-2.5 2,-0.0 2,-0.4 -0.981 47.9-140.5-165.5 159.5 21.5 1.6 18.0 41 41 A V E -B 56 0A 26 -2,-0.3 2,-0.5 -14,-0.3 15,-0.2 -0.991 21.3-165.7-128.7 119.5 20.4 -1.5 16.1 42 42 A E E -B 55 0A 99 13,-2.6 13,-2.5 -2,-0.4 2,-0.6 -0.917 15.9-140.4-108.2 127.7 21.8 -4.8 17.2 43 43 A N E +B 54 0A 71 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.791 23.9 175.7 -85.1 119.5 21.6 -8.0 15.1 44 44 A I E - 0 0 68 9,-3.0 2,-0.3 -2,-0.6 10,-0.2 0.868 62.9 -10.0 -90.8 -46.7 20.8 -10.8 17.6 45 45 A E E S+B 53 0A 139 8,-1.3 8,-2.2 6,-0.0 -1,-0.4 -0.981 100.5 35.2-153.2 143.8 20.3 -13.8 15.2 46 46 A G S S- 0 0 40 -2,-0.3 5,-0.1 6,-0.2 -3,-0.0 -0.107 72.0 -97.7 97.1 168.1 20.0 -14.3 11.4 47 47 A N S S- 0 0 172 3,-0.1 -1,-0.1 -2,-0.0 4,-0.0 0.318 77.0 -75.9-108.2 -2.8 21.4 -12.8 8.3 48 48 A G S S+ 0 0 28 1,-0.4 3,-0.1 -3,-0.2 -2,-0.1 0.160 100.5 103.1 122.3 -18.3 18.5 -10.4 7.4 49 49 A G S > S- 0 0 30 1,-0.2 3,-2.4 2,-0.0 -1,-0.4 -0.153 86.4 -39.2 -83.7-175.5 16.0 -12.9 6.0 50 50 A P T 3 S+ 0 0 97 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 -0.137 130.0 25.7 -43.8 130.0 12.8 -14.3 7.6 51 51 A G T 3 S+ 0 0 41 20,-3.6 21,-0.1 1,-0.3 2,-0.0 0.194 82.7 140.7 96.8 -16.6 13.4 -15.0 11.3 52 52 A T < - 0 0 3 -3,-2.4 19,-2.7 19,-0.1 2,-0.4 -0.361 38.5-151.7 -59.5 137.8 16.2 -12.5 11.8 53 53 A I E +BC 45 70A 50 -8,-2.2 -9,-3.0 17,-0.2 -8,-1.3 -0.954 15.6 179.7-119.2 131.9 15.9 -10.8 15.2 54 54 A K E -BC 43 69A 15 15,-1.9 15,-2.2 -2,-0.4 2,-0.6 -0.924 23.4-137.4-125.6 155.1 17.2 -7.3 16.0 55 55 A K E -BC 42 68A 53 -13,-2.5 -13,-2.6 -2,-0.3 2,-0.6 -0.968 17.2-162.9-112.5 118.4 17.2 -5.1 19.1 56 56 A I E -BC 41 67A 26 11,-3.0 11,-2.1 -2,-0.6 2,-0.3 -0.906 10.3-161.2-102.5 115.7 16.2 -1.5 18.4 57 57 A S E -BC 40 66A 25 -17,-2.5 -18,-1.9 -2,-0.6 -17,-1.1 -0.788 2.9-147.2-102.8 147.1 17.2 0.8 21.2 58 58 A F - 0 0 38 7,-2.6 -20,-0.2 -2,-0.3 3,-0.1 -0.723 27.5 -93.8-109.1 157.1 15.9 4.3 21.8 59 59 A P > - 0 0 26 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.198 54.2 -79.0 -65.8 160.2 17.6 7.3 23.3 60 60 A E T 3 S+ 0 0 198 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.223 116.6 31.9 -52.8 142.8 17.4 8.1 27.0 61 61 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.288 86.3 126.2 86.8 -7.3 14.1 9.8 28.0 62 62 A F S < S- 0 0 78 -3,-1.6 -1,-0.3 2,-0.1 -4,-0.1 -0.404 74.7-111.0 -73.6 157.3 12.0 8.0 25.5 63 63 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.869 101.6 35.8 -57.1 -38.2 8.9 6.2 26.8 64 64 A F - 0 0 96 1,-0.1 -2,-0.1 -5,-0.1 -6,-0.1 -0.913 67.4-146.7-121.7 146.1 10.4 2.7 26.0 65 65 A K S S- 0 0 162 -2,-0.3 -7,-2.6 1,-0.3 2,-0.3 0.880 71.9 -30.9 -76.2 -42.4 14.0 1.5 26.2 66 66 A Y E -C 57 0A 51 -9,-0.3 2,-0.3 2,-0.0 -1,-0.3 -0.978 46.3-147.9-163.6 164.0 14.0 -0.9 23.3 67 67 A V E -C 56 0A 20 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.5 -0.957 14.5-139.6-134.1 159.3 12.1 -3.4 21.2 68 68 A K E -CD 55 87A 47 19,-2.8 18,-2.4 -2,-0.3 19,-1.2 -0.971 21.4-166.6-111.6 136.0 13.1 -6.5 19.5 69 69 A D E -CD 54 85A 15 -15,-2.2 -15,-1.9 -2,-0.5 2,-0.4 -0.830 12.0-147.4-116.7 161.7 11.7 -7.3 16.1 70 70 A R E -CD 53 84A 80 14,-2.6 14,-2.7 -2,-0.3 2,-0.3 -0.997 22.5-123.7-126.1 128.1 11.7 -10.4 13.9 71 71 A V E + D 0 83A 1 -19,-2.7 -20,-3.6 -2,-0.4 12,-0.3 -0.518 28.8 177.8 -69.2 131.0 11.9 -10.2 10.1 72 72 A D E - 0 0 45 10,-2.8 2,-0.3 1,-0.4 11,-0.2 0.825 60.9 -7.5-101.6 -46.4 8.9 -11.9 8.6 73 73 A E E - D 0 82A 114 9,-1.8 9,-2.6 -24,-0.1 2,-0.4 -0.985 49.1-163.4-154.7 144.7 9.3 -11.5 4.8 74 74 A V E - 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