==== 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 4A8U . COMPND 2 MOLECULE: MAJOR POLLEN ALLERGEN BET V 1-J; . SOURCE 2 ORGANISM_SCIENTIFIC: BETULA PENDULA; . AUTHOR S.KOFLER,H.BRANDSTETTER . 158 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 77.2 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 36.1 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 . 35 22.2 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 1 0 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 51 0, 0.0 121,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-175.9 -7.7 -9.6 18.8 2 2 A V E -A 121 0A 76 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.964 360.0-164.5-123.1 129.4 -6.3 -7.5 16.0 3 3 A F E -A 120 0A 57 117,-2.2 117,-2.6 -2,-0.4 2,-0.4 -0.954 20.2-154.5-107.5 123.9 -6.4 -3.7 15.5 4 4 A N E +A 119 0A 94 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.874 15.1 178.2-109.0 132.1 -5.6 -2.7 11.9 5 5 A Y E -A 118 0A 52 113,-2.5 113,-2.7 -2,-0.4 2,-0.4 -0.997 4.7-172.5-136.2 135.0 -4.2 0.6 10.8 6 6 A E E +A 117 0A 110 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.979 13.9 156.8-127.2 136.9 -3.2 1.7 7.3 7 7 A T E -A 116 0A 47 109,-2.5 109,-2.8 -2,-0.4 2,-0.3 -0.923 24.4-139.0-147.4 172.5 -1.4 4.9 6.3 8 8 A E E -A 115 0A 107 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.982 11.3-173.4-135.1 151.8 0.7 6.3 3.5 9 9 A A E -A 114 0A 10 105,-2.2 105,-3.1 -2,-0.3 2,-0.3 -0.907 13.9-141.2-134.5 160.9 3.8 8.4 3.2 10 10 A T E -A 113 0A 87 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.904 13.0-171.5-122.7 157.0 5.5 10.0 0.2 11 11 A S E -A 112 0A 9 101,-2.4 101,-2.5 -2,-0.3 4,-0.1 -0.988 29.5-139.4-141.7 154.5 9.1 10.5 -0.7 12 12 A V S S+ 0 0 95 -2,-0.3 101,-0.1 99,-0.2 -1,-0.0 0.449 81.2 93.9 -86.7 -1.3 11.1 12.3 -3.4 13 13 A I S S- 0 0 4 99,-0.1 -2,-0.1 1,-0.1 97,-0.1 -0.760 87.6-103.7 -94.7 136.1 13.5 9.3 -3.7 14 14 A P > - 0 0 68 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.202 34.0-112.8 -56.2 148.7 12.9 6.6 -6.3 15 15 A A H > S+ 0 0 5 96,-0.6 4,-2.7 1,-0.2 5,-0.2 0.847 109.3 47.8 -57.6 -47.7 11.4 3.4 -4.9 16 16 A A H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 115.3 45.0 -66.3 -41.9 14.3 1.0 -5.5 17 17 A R H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.918 113.9 49.5 -66.9 -44.5 16.9 3.3 -4.0 18 18 A L H X>S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.7 0.926 111.3 50.0 -60.4 -42.7 14.7 4.1 -1.1 19 19 A F H X>S+ 0 0 5 -4,-2.7 5,-2.5 -5,-0.2 4,-1.4 0.932 109.2 51.9 -61.2 -44.4 14.0 0.4 -0.5 20 20 A K H <5S+ 0 0 108 -4,-2.3 5,-0.5 3,-0.2 -1,-0.2 0.881 123.1 28.8 -58.4 -41.8 17.7 -0.4 -0.6 21 21 A A H X5S+ 0 0 0 -4,-2.0 4,-0.8 3,-0.2 8,-0.2 0.953 125.7 38.6 -84.8 -61.3 18.6 2.3 2.0 22 22 A F H <5S+ 0 0 18 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.839 134.2 19.9 -66.4 -38.4 15.5 2.7 4.3 23 23 A I T ><X S+ 0 0 52 -4,-0.8 4,-2.8 -5,-0.5 3,-0.9 0.123 78.7 118.6-119.6 23.0 20.3 -1.0 5.2 26 26 A G H <> + 0 0 6 -3,-1.1 4,-2.4 1,-0.2 -1,-0.1 0.804 66.9 65.0 -58.8 -32.4 18.3 0.3 8.2 27 27 A D H 34 S+ 0 0 58 -4,-0.2 14,-0.3 1,-0.2 -1,-0.2 0.871 115.9 30.7 -61.8 -36.5 20.5 -1.3 10.8 28 28 A N H <> S+ 0 0 74 -3,-0.9 4,-1.0 2,-0.1 -2,-0.2 0.886 124.2 45.6 -79.9 -50.8 23.4 0.9 9.7 29 29 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -8,-0.2 5,-0.4 0.881 101.1 60.5 -72.0 -39.6 21.4 4.0 8.5 30 30 A F H X S+ 0 0 37 -4,-2.4 4,-2.3 1,-0.2 8,-0.3 0.938 109.3 41.0 -61.5 -46.2 18.9 4.6 11.3 31 31 A P H 4 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.807 118.6 50.5 -68.9 -24.6 21.5 5.2 14.1 32 32 A K H < S+ 0 0 105 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.1 0.927 122.5 26.3 -73.5 -50.2 23.6 7.2 11.7 33 33 A V H < S+ 0 0 30 -4,-3.0 -3,-0.2 1,-0.2 -1,-0.1 0.688 132.1 34.1 -93.4 -18.7 21.0 9.6 10.3 34 34 A A >X + 0 0 9 -4,-2.3 4,-2.4 -5,-0.4 3,-2.3 -0.389 63.1 150.0-132.7 54.6 18.5 9.7 13.2 35 35 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.733 74.0 60.5 -62.9 -23.6 20.6 9.4 16.4 36 36 A Q T 34 S+ 0 0 159 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.567 115.8 33.8 -78.6 -5.0 18.0 11.4 18.3 37 37 A A T <4 S+ 0 0 7 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.667 127.2 29.5-111.3 -34.8 15.4 8.7 17.5 38 38 A I < - 0 0 4 -4,-2.4 -1,-0.3 -8,-0.3 20,-0.2 -0.983 54.6-172.6-134.0 115.3 17.4 5.4 17.5 39 39 A S - 0 0 60 18,-2.1 2,-0.3 -2,-0.4 19,-0.2 0.931 70.0 -19.6 -75.3 -44.1 20.5 4.9 19.6 40 40 A S E -B 57 0A 52 17,-1.1 17,-2.4 2,-0.0 2,-0.4 -0.987 47.3-142.2-159.1 160.5 21.6 1.6 18.2 41 41 A V E -B 56 0A 28 -2,-0.3 2,-0.5 -14,-0.3 15,-0.2 -0.992 19.5-167.2-131.4 123.7 20.5 -1.5 16.2 42 42 A E E -B 55 0A 103 13,-2.6 13,-2.8 -2,-0.4 2,-0.6 -0.948 18.0-138.8-112.3 124.4 21.8 -4.9 17.2 43 43 A N E +B 54 0A 78 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.726 25.1 176.3 -76.8 121.5 21.5 -8.0 15.0 44 44 A I E - 0 0 61 9,-2.9 2,-0.3 -2,-0.6 10,-0.2 0.827 61.6 -9.4 -94.2 -42.2 20.6 -10.8 17.5 45 45 A E E S+B 53 0A 134 8,-1.4 8,-2.4 1,-0.1 -1,-0.4 -0.975 98.3 38.2-157.8 143.7 20.1 -13.8 15.1 46 46 A G - 0 0 39 -2,-0.3 5,-0.1 6,-0.2 -1,-0.1 0.067 69.1-100.9 97.7 160.7 19.8 -14.4 11.4 47 47 A N S S- 0 0 174 3,-0.1 -1,-0.1 5,-0.0 4,-0.0 0.142 76.8 -72.8-111.5 18.4 21.3 -13.2 8.2 48 48 A G S S+ 0 0 38 1,-0.4 3,-0.1 -3,-0.2 -2,-0.1 0.139 101.3 92.7 120.7 -17.8 18.6 -10.8 7.0 49 49 A G S > S- 0 0 31 1,-0.2 3,-2.4 22,-0.0 -1,-0.4 -0.170 88.5 -29.4 -92.8-170.4 15.7 -13.0 5.8 50 50 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.109 129.8 22.6 -41.5 127.3 12.6 -14.3 7.5 51 51 A G T 3 S+ 0 0 41 20,-3.3 21,-0.1 1,-0.3 2,-0.1 0.216 81.6 142.4 96.2 -11.7 13.2 -14.8 11.2 52 52 A T < - 0 0 3 -3,-2.4 19,-2.8 19,-0.1 2,-0.4 -0.386 37.5-152.0 -62.6 133.6 16.1 -12.4 11.6 53 53 A I E -BC 45 70A 40 -8,-2.4 -9,-2.9 17,-0.2 -8,-1.4 -0.943 14.0-175.7-116.3 135.8 15.8 -10.5 14.9 54 54 A K E -BC 43 69A 25 15,-2.7 15,-2.4 -2,-0.4 2,-0.6 -0.957 19.3-141.1-125.3 142.5 17.1 -7.1 15.7 55 55 A K E -BC 42 68A 61 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.6 -0.933 17.8-164.5-105.4 117.3 17.2 -5.2 18.9 56 56 A I E -BC 41 67A 17 11,-3.1 11,-2.3 -2,-0.6 2,-0.4 -0.917 6.0-159.0-106.1 117.3 16.5 -1.5 18.4 57 57 A S E -BC 40 66A 27 -17,-2.4 -18,-2.1 -2,-0.6 -17,-1.1 -0.792 4.5-145.4-100.2 141.2 17.4 0.7 21.3 58 58 A F - 0 0 36 7,-2.4 -20,-0.2 -2,-0.4 3,-0.1 -0.688 27.7 -95.6-100.5 156.0 15.9 4.2 21.9 59 59 A P > - 0 0 25 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.194 53.2 -79.5 -63.7 161.0 17.7 7.2 23.4 60 60 A E T 3 S+ 0 0 197 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.247 117.3 33.3 -56.3 143.5 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 0.269 86.2 125.9 89.7 -10.0 14.2 9.9 27.8 62 62 A F S < S- 0 0 76 -3,-1.7 -1,-0.3 2,-0.2 -4,-0.1 -0.375 74.3-111.9 -74.9 158.4 12.1 8.1 25.3 63 63 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.867 100.2 38.0 -60.5 -33.5 8.9 6.3 26.5 64 64 A F - 0 0 91 1,-0.1 -2,-0.2 -5,-0.1 -6,-0.1 -0.840 67.5-144.3-119.1 155.8 10.4 2.9 25.8 65 65 A K S S- 0 0 169 1,-0.3 -7,-2.4 -2,-0.3 2,-0.3 0.894 72.6 -33.2 -81.8 -47.0 13.8 1.4 26.2 66 66 A Y E -C 57 0A 50 -9,-0.2 23,-0.8 2,-0.0 2,-0.3 -0.980 45.8-143.3-162.2 164.6 13.9 -0.9 23.2 67 67 A V E -CD 56 88A 15 -11,-2.3 -11,-3.1 -2,-0.3 2,-0.5 -0.973 15.0-137.7-130.6 154.3 12.0 -3.2 20.9 68 68 A K E -CD 55 87A 47 19,-2.6 18,-2.7 -2,-0.3 19,-1.0 -0.977 22.7-163.7-104.2 126.0 13.0 -6.4 19.2 69 69 A D E -CD 54 85A 25 -15,-2.4 -15,-2.7 -2,-0.5 2,-0.5 -0.915 3.7-155.7-109.3 138.9 11.8 -6.6 15.6 70 70 A R E -CD 53 84A 75 14,-2.8 14,-2.5 -2,-0.4 2,-0.3 -0.951 19.0-125.8-115.6 126.3 11.7 -9.8 13.6 71 71 A V E + D 0 83A 2 -19,-2.8 -20,-3.3 -2,-0.5 12,-0.3 -0.530 28.6 177.2 -66.6 131.7 11.9 -9.8 9.8 72 72 A D E - 0 0 40 10,-3.0 2,-0.3 1,-0.4 11,-0.2 0.842 62.1 -13.5-100.3 -51.4 8.9 -11.7 8.4 73 73 A E E - D 0 82A 131 9,-1.6 9,-2.9 -24,-0.1 2,-0.4 -0.990 51.0-160.6-155.2 147.0 9.3 -11.4 4.6 74 74 A V E - D 0 81A 37 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.972 3.8-168.6-136.1 115.5 11.4 -9.3 2.2 75 75 A D E >> - 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