==== 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 4A80 . 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) . 8901.0 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 . 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 . 16 10.1 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 . 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 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 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,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-173.5 -7.7 -9.7 18.8 2 2 A V E -A 121 0A 75 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.922 360.0-167.4-118.5 132.7 -6.4 -7.5 16.0 3 3 A F E -A 120 0A 58 117,-2.1 117,-2.5 -2,-0.4 2,-0.4 -0.974 17.0-154.6-110.4 127.1 -6.5 -3.8 15.5 4 4 A N E +A 119 0A 70 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.885 13.9 179.2-108.9 132.1 -5.5 -2.6 12.0 5 5 A Y E -A 118 0A 64 113,-2.4 113,-2.6 -2,-0.4 2,-0.3 -1.000 5.3-174.5-131.1 129.6 -4.1 0.8 11.2 6 6 A E E +A 117 0A 148 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.938 7.6 165.0-126.0 147.8 -3.1 1.9 7.7 7 7 A T E -A 116 0A 56 109,-2.0 109,-2.7 -2,-0.3 2,-0.3 -0.967 19.7-146.1-150.9 162.8 -1.4 5.1 6.4 8 8 A E E +A 115 0A 115 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.976 17.4 172.7-130.9 150.4 0.3 6.4 3.3 9 9 A T E -A 114 0A 23 105,-2.2 105,-3.4 -2,-0.3 2,-0.3 -0.956 20.9-126.1-151.3 165.8 3.2 8.8 2.8 10 10 A T E -A 113 0A 88 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.805 13.6-165.4-120.2 155.3 5.4 10.1 0.0 11 11 A S E -A 112 0A 8 101,-2.6 101,-2.4 -2,-0.3 4,-0.1 -0.983 24.6-141.8-134.4 150.5 9.1 10.3 -0.7 12 12 A V S S+ 0 0 93 -2,-0.3 101,-0.1 99,-0.2 -1,-0.0 0.492 81.2 92.3 -84.1 -4.5 11.1 12.3 -3.2 13 13 A I S S- 0 0 4 99,-0.1 -2,-0.1 1,-0.1 98,-0.1 -0.750 88.6-104.3 -92.1 134.6 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 -0.230 34.1-114.9 -52.6 146.6 12.9 6.5 -6.2 15 15 A A H > S+ 0 0 4 96,-0.6 4,-3.0 1,-0.2 5,-0.2 0.853 109.2 49.5 -58.4 -46.4 11.4 3.3 -4.8 16 16 A A H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 115.2 43.8 -65.6 -43.4 14.3 0.9 -5.4 17 17 A R H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.932 114.7 49.2 -65.0 -45.9 16.9 3.2 -3.9 18 18 A L H X>S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.8 0.929 110.9 51.2 -59.6 -44.3 14.7 4.0 -0.9 19 19 A F H X>S+ 0 0 4 -4,-3.0 5,-2.8 3,-0.2 4,-1.1 0.925 110.6 48.5 -57.2 -47.9 14.0 0.3 -0.4 20 20 A K H <5S+ 0 0 90 -4,-2.2 5,-0.3 3,-0.2 -1,-0.2 0.895 124.7 29.8 -57.4 -45.7 17.8 -0.5 -0.4 21 21 A A H X5S+ 0 0 0 -4,-2.3 4,-0.7 3,-0.2 8,-0.3 0.968 128.2 34.8 -80.8 -61.1 18.6 2.3 2.0 22 22 A F H <5S+ 0 0 20 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.877 134.1 21.4 -70.4 -41.6 15.5 2.7 4.2 23 23 A I T ><X S+ 0 0 52 -4,-0.7 4,-2.6 -5,-0.3 3,-0.9 0.125 77.7 119.0-123.0 24.6 20.1 -1.0 5.3 26 26 A G H <> + 0 0 4 -3,-0.9 4,-2.7 1,-0.2 -2,-0.1 0.823 69.2 65.3 -56.6 -34.7 18.1 0.4 8.2 27 27 A D H 34 S+ 0 0 63 -4,-0.2 -1,-0.2 1,-0.2 14,-0.2 0.849 114.0 30.6 -57.5 -41.4 20.4 -1.3 10.7 28 28 A N H <> S+ 0 0 75 -3,-0.9 4,-0.8 2,-0.1 -2,-0.2 0.891 124.3 45.7 -79.3 -46.7 23.3 0.9 9.6 29 29 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 -8,-0.3 5,-0.4 0.849 100.3 61.6 -75.0 -39.4 21.5 4.0 8.5 30 30 A F H X S+ 0 0 34 -4,-2.7 4,-2.1 1,-0.2 8,-0.3 0.922 107.9 41.7 -61.2 -50.2 19.0 4.7 11.4 31 31 A P H 4 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.780 119.2 48.9 -64.9 -26.0 21.6 5.2 14.2 32 32 A K H < S+ 0 0 104 -4,-0.8 -2,-0.2 -3,-0.2 -3,-0.1 0.928 122.0 28.5 -75.5 -51.1 23.8 7.2 11.8 33 33 A V H < S+ 0 0 29 -4,-3.2 -3,-0.2 1,-0.2 -1,-0.1 0.673 134.0 29.6 -89.3 -19.9 21.1 9.6 10.3 34 34 A A >X + 0 0 0 -4,-2.1 4,-2.6 -5,-0.4 3,-2.3 -0.341 61.9 150.4-137.8 56.7 18.8 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 0.763 75.3 63.1 -60.7 -23.2 20.8 9.2 16.5 36 36 A Q T 34 S+ 0 0 112 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 0.532 115.0 31.1 -77.9 -7.8 18.2 11.4 18.4 37 37 A A T <4 S+ 0 0 5 -3,-2.3 2,-0.4 1,-0.3 -1,-0.2 0.667 128.7 29.9-115.6 -37.1 15.5 8.8 17.6 38 38 A I < - 0 0 5 -4,-2.6 -1,-0.3 -8,-0.3 20,-0.2 -0.977 56.1-171.7-131.3 117.5 17.4 5.4 17.5 39 39 A S - 0 0 61 18,-1.8 2,-0.3 -2,-0.4 19,-0.2 0.850 69.6 -20.2 -77.3 -37.3 20.6 4.9 19.6 40 40 A S E -B 57 0A 51 17,-1.2 17,-2.4 2,-0.0 2,-0.4 -0.984 47.3-141.2-163.8 163.6 21.6 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 -0.968 20.3-165.7-134.5 115.5 20.4 -1.5 16.2 42 42 A E E -B 55 0A 101 13,-3.1 13,-2.9 -2,-0.4 2,-0.7 -0.900 16.9-139.8-104.6 125.9 21.8 -5.0 17.2 43 43 A N E +B 54 0A 79 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.760 24.7 176.7 -79.1 117.8 21.4 -8.1 15.0 44 44 A I E - 0 0 62 9,-2.8 2,-0.3 -2,-0.7 10,-0.2 0.856 61.5 -11.6 -91.3 -43.0 20.6 -10.8 17.4 45 45 A E E S+B 53 0A 138 8,-1.4 8,-2.4 1,-0.0 -1,-0.4 -0.972 98.0 41.6-159.4 143.8 20.1 -13.8 15.1 46 46 A G - 0 0 39 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 0.059 70.0-100.9 100.2 158.2 19.7 -14.4 11.3 47 47 A N S S- 0 0 172 3,-0.1 -1,-0.1 5,-0.0 4,-0.0 0.135 77.1 -75.3-105.5 17.5 21.3 -13.2 8.1 48 48 A G S S+ 0 0 34 1,-0.4 3,-0.1 -3,-0.2 -2,-0.0 0.121 101.2 93.4 118.4 -18.8 18.5 -10.8 7.0 49 49 A G S > S- 0 0 30 1,-0.2 3,-2.2 22,-0.0 -1,-0.4 -0.117 88.4 -27.8 -89.5-168.6 15.7 -12.9 5.8 50 50 A P T 3 S+ 0 0 100 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 -0.100 130.1 22.0 -43.2 127.3 12.6 -14.3 7.5 51 51 A G T 3 S+ 0 0 43 20,-3.6 2,-0.1 1,-0.3 21,-0.1 0.263 81.3 144.1 96.3 -10.9 13.1 -14.9 11.2 52 52 A T < - 0 0 2 -3,-2.2 19,-2.9 19,-0.1 2,-0.5 -0.431 37.8-150.1 -61.2 130.8 16.0 -12.4 11.6 53 53 A I E -BC 45 70A 32 -8,-2.4 -9,-2.8 17,-0.2 -8,-1.4 -0.921 15.9-178.1-109.9 130.4 15.8 -10.7 15.0 54 54 A K E -BC 43 69A 19 15,-2.9 15,-2.5 -2,-0.5 2,-0.6 -0.955 19.4-142.8-124.1 146.3 17.1 -7.2 15.7 55 55 A K E -BC 42 68A 57 -13,-2.9 -13,-3.1 -2,-0.3 2,-0.6 -0.957 15.0-163.2-109.5 119.2 17.1 -5.2 18.9 56 56 A I E -BC 41 67A 20 11,-3.1 11,-2.1 -2,-0.6 2,-0.4 -0.918 7.1-158.6-105.1 119.0 16.4 -1.5 18.4 57 57 A S E -BC 40 66A 26 -17,-2.4 -18,-1.8 -2,-0.6 -17,-1.2 -0.809 4.2-146.2-101.9 139.7 17.4 0.7 21.3 58 58 A F - 0 0 36 7,-2.8 -20,-0.2 -2,-0.4 3,-0.1 -0.708 27.3 -99.3-102.0 152.5 15.9 4.1 21.9 59 59 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.248 53.6 -75.8 -66.4 161.1 17.8 7.0 23.4 60 60 A E T 3 S+ 0 0 195 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.223 118.3 32.7 -52.1 143.1 17.5 8.0 27.1 61 61 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.272 86.6 125.2 89.0 -9.2 14.2 9.8 27.9 62 62 A F S < S- 0 0 74 -3,-1.6 -1,-0.3 2,-0.2 -4,-0.1 -0.425 75.8-109.5 -76.3 157.4 12.1 7.9 25.3 63 63 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.863 101.4 35.6 -55.6 -37.4 8.9 6.1 26.4 64 64 A F - 0 0 72 1,-0.1 -2,-0.2 -5,-0.1 -6,-0.1 -0.855 66.5-144.0-119.8 150.8 10.5 2.7 25.8 65 65 A K S S- 0 0 163 -2,-0.3 -7,-2.8 1,-0.3 2,-0.3 0.930 76.3 -30.8 -73.4 -50.6 14.1 1.3 26.3 66 66 A Y E -C 57 0A 49 -9,-0.3 23,-0.7 2,-0.0 2,-0.3 -0.983 46.2-145.2-159.3 163.0 14.0 -1.1 23.3 67 67 A V E -CD 56 88A 15 -11,-2.1 -11,-3.1 -2,-0.3 2,-0.5 -0.964 16.5-138.4-128.3 153.0 12.0 -3.3 20.9 68 68 A K E -CD 55 87A 45 19,-2.7 18,-2.7 -2,-0.3 19,-1.0 -0.974 22.0-162.1-106.1 125.1 13.0 -6.5 19.3 69 69 A D E -CD 54 85A 28 -15,-2.5 -15,-2.9 -2,-0.5 2,-0.5 -0.877 5.1-153.1-106.4 140.8 11.8 -6.7 15.7 70 70 A R E -CD 53 84A 74 14,-3.1 14,-2.6 -2,-0.4 2,-0.3 -0.958 18.8-127.0-113.1 127.6 11.6 -10.0 13.7 71 71 A V E + D 0 83A 2 -19,-2.9 -20,-3.6 -2,-0.5 12,-0.3 -0.586 29.3 176.1 -70.0 130.6 11.9 -9.9 9.9 72 72 A D E - 0 0 41 10,-2.9 2,-0.3 1,-0.4 11,-0.2 0.834 61.7 -9.6-101.6 -53.5 8.8 -11.7 8.4 73 73 A E E - D 0 82A 116 9,-1.8 9,-2.6 -24,-0.1 2,-0.4 -0.993 50.6-162.1-148.0 146.3 9.2 -11.3 4.6 74 74 A V E - D 0 81A 36 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.973 6.9-171.4-131.2 115.7 11.5 -9.3 2.2 75 75 A D E >> - 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