==== 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 4A88 . 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) . 8843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 74.2 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 . 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 . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.7 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 51 0, 0.0 121,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-168.4 -7.6 -8.8 18.8 2 2 A V E -A 121 0A 76 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.950 360.0-165.8-125.9 128.1 -6.2 -6.6 16.1 3 3 A F E -A 120 0A 57 117,-2.2 117,-2.6 -2,-0.4 2,-0.5 -0.968 17.6-154.1-106.0 128.8 -6.4 -2.8 15.6 4 4 A N E -A 119 0A 70 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.877 13.6-179.3-111.8 130.4 -5.4 -1.7 12.1 5 5 A Y E -A 118 0A 67 113,-2.5 113,-2.8 -2,-0.5 2,-0.4 -0.989 4.2-172.6-126.5 134.1 -4.0 1.7 11.2 6 6 A E E +A 117 0A 150 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.969 9.3 163.6-128.0 141.9 -3.0 2.9 7.8 7 7 A T E -A 116 0A 51 109,-2.4 109,-2.8 -2,-0.4 2,-0.3 -0.961 18.6-149.6-146.9 164.3 -1.3 6.0 6.6 8 8 A E E +A 115 0A 117 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.980 14.4 174.3-133.8 149.5 0.5 7.3 3.5 9 9 A T E -A 114 0A 18 105,-2.2 105,-3.0 -2,-0.3 2,-0.3 -0.943 21.5-125.5-144.2 165.1 3.2 9.8 3.0 10 10 A T E -A 113 0A 87 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.812 14.9-165.1-112.2 157.3 5.3 11.1 0.1 11 11 A S E -A 112 0A 7 101,-2.6 101,-2.3 -2,-0.3 4,-0.1 -0.968 24.8-140.8-132.1 155.8 9.0 11.3 -0.6 12 12 A V S S+ 0 0 94 -2,-0.3 101,-0.1 99,-0.2 -1,-0.0 0.416 80.8 93.3 -88.3 -1.0 11.1 13.2 -3.2 13 13 A I S S- 0 0 4 99,-0.1 -2,-0.1 1,-0.1 97,-0.1 -0.764 87.8-104.3 -95.3 134.8 13.4 10.2 -3.5 14 14 A P > - 0 0 67 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.249 33.7-113.6 -54.6 147.3 12.8 7.5 -6.2 15 15 A A H > S+ 0 0 4 96,-0.6 4,-2.7 1,-0.2 5,-0.2 0.826 109.2 47.7 -55.9 -47.7 11.3 4.3 -4.8 16 16 A A H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 115.5 44.7 -67.8 -41.3 14.2 1.9 -5.4 17 17 A R H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 114.1 49.7 -67.6 -42.2 16.8 4.1 -4.0 18 18 A L H X>S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.9 0.921 111.5 49.8 -62.4 -42.0 14.6 5.0 -1.0 19 19 A F H X>S+ 0 0 5 -4,-2.7 5,-2.7 -5,-0.2 4,-1.0 0.941 110.2 49.9 -62.5 -45.8 13.9 1.3 -0.4 20 20 A K H <5S+ 0 0 102 -4,-2.4 5,-0.3 3,-0.2 -1,-0.2 0.887 124.8 28.7 -60.2 -39.3 17.7 0.4 -0.6 21 21 A A H X5S+ 0 0 0 -4,-2.2 4,-1.0 3,-0.2 8,-0.3 0.966 126.9 35.3 -85.2 -62.7 18.5 3.2 2.0 22 22 A F H <5S+ 0 0 18 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.845 133.3 24.5 -69.1 -38.4 15.5 3.7 4.3 23 23 A I T ><X S+ 0 0 51 -4,-1.0 4,-2.7 -6,-0.3 3,-1.0 0.137 75.9 119.5-122.2 25.0 20.1 -0.0 5.4 26 26 A G H <> + 0 0 3 -3,-0.8 4,-2.5 1,-0.2 -1,-0.1 0.785 68.8 66.1 -56.6 -33.0 18.1 1.5 8.2 27 27 A D H 34 S+ 0 0 54 -4,-0.2 14,-0.3 1,-0.2 -1,-0.2 0.848 113.8 30.6 -57.2 -40.0 20.5 -0.2 10.8 28 28 A N H <> S+ 0 0 72 -3,-1.0 4,-0.9 2,-0.1 -2,-0.2 0.880 125.0 45.2 -79.3 -50.3 23.3 1.9 9.6 29 29 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 -8,-0.3 5,-0.4 0.880 100.9 60.5 -70.8 -42.2 21.4 5.0 8.6 30 30 A F H X S+ 0 0 36 -4,-2.5 4,-2.3 1,-0.3 8,-0.3 0.927 108.7 41.7 -61.0 -47.2 19.0 5.7 11.4 31 31 A P H 4 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.793 119.1 48.9 -67.2 -23.5 21.5 6.2 14.2 32 32 A K H < S+ 0 0 106 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.919 123.2 27.1 -77.0 -50.5 23.7 8.2 11.8 33 33 A V H < S+ 0 0 32 -4,-3.1 -3,-0.2 1,-0.2 -1,-0.1 0.696 133.8 30.3 -91.4 -22.2 21.2 10.5 10.4 34 34 A A >X + 0 0 8 -4,-2.3 4,-2.5 -5,-0.4 3,-2.3 -0.406 62.8 152.8-134.9 55.8 18.7 10.7 13.2 35 35 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.730 75.9 59.5 -61.8 -21.4 20.6 10.2 16.5 36 36 A Q T 34 S+ 0 0 155 1,-0.1 3,-0.1 -3,-0.1 22,-0.0 0.369 114.5 37.1 -86.7 9.8 18.0 12.1 18.4 37 37 A A T <4 S+ 0 0 4 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.658 129.2 21.5-119.0 -42.2 15.4 9.6 17.3 38 38 A I < - 0 0 5 -4,-2.5 -1,-0.3 -8,-0.3 20,-0.2 -0.991 57.1-169.2-133.3 120.6 17.3 6.3 17.4 39 39 A S S S- 0 0 59 18,-2.0 2,-0.3 -2,-0.4 19,-0.2 0.881 70.1 -19.2 -78.2 -37.8 20.5 5.8 19.5 40 40 A S E -B 57 0A 50 17,-1.3 17,-2.4 2,-0.0 2,-0.4 -0.990 48.1-142.5-165.2 158.4 21.6 2.5 18.1 41 41 A V E -B 56 0A 30 -2,-0.3 2,-0.5 -14,-0.3 15,-0.2 -0.985 19.8-166.5-131.1 120.4 20.5 -0.6 16.2 42 42 A E E -B 55 0A 101 13,-2.7 13,-2.8 -2,-0.4 2,-0.6 -0.935 17.9-137.9-109.4 126.8 21.9 -4.0 17.1 43 43 A N E +B 54 0A 78 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.749 25.2 176.2 -80.4 119.5 21.5 -7.1 15.0 44 44 A I E - 0 0 58 9,-2.9 2,-0.3 -2,-0.6 10,-0.2 0.840 62.6 -11.5 -92.1 -46.8 20.7 -9.9 17.5 45 45 A E E S+B 53 0A 139 8,-1.5 8,-2.5 1,-0.0 -1,-0.4 -0.980 98.5 39.7-154.3 146.2 20.2 -12.8 15.1 46 46 A G - 0 0 38 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 0.028 69.6-100.2 97.4 159.3 19.8 -13.4 11.4 47 47 A N S S- 0 0 174 3,-0.2 -1,-0.1 5,-0.0 4,-0.0 0.089 76.2 -74.0-110.9 18.5 21.2 -12.2 8.1 48 48 A G S S+ 0 0 34 1,-0.4 3,-0.1 -3,-0.2 -2,-0.0 0.120 100.9 93.1 119.2 -19.0 18.5 -9.7 7.1 49 49 A G S > S- 0 0 29 1,-0.2 3,-2.4 22,-0.0 -1,-0.4 -0.142 88.4 -30.1 -89.9-172.0 15.6 -11.9 5.9 50 50 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.112 129.9 22.9 -42.0 129.0 12.6 -13.3 7.6 51 51 A G T 3 S+ 0 0 42 20,-3.5 21,-0.1 1,-0.3 2,-0.1 0.225 81.3 144.8 96.9 -13.4 13.2 -13.9 11.2 52 52 A T < - 0 0 3 -3,-2.4 19,-2.7 19,-0.1 2,-0.4 -0.380 37.9-148.9 -62.5 133.1 16.1 -11.4 11.7 53 53 A I E -BC 45 70A 30 -8,-2.5 -9,-2.9 17,-0.2 -8,-1.5 -0.922 16.9-178.8-110.8 131.3 15.9 -9.8 15.1 54 54 A K E -BC 43 69A 23 15,-2.6 15,-2.7 -2,-0.4 2,-0.6 -0.972 20.2-143.1-128.4 140.5 17.2 -6.2 15.8 55 55 A K E -BC 42 68A 62 -13,-2.8 -13,-2.7 -2,-0.4 2,-0.6 -0.939 16.5-163.1-107.4 117.3 17.3 -4.3 19.0 56 56 A I E -BC 41 67A 18 11,-3.2 11,-2.1 -2,-0.6 2,-0.4 -0.910 5.5-159.5-103.7 118.0 16.5 -0.6 18.5 57 57 A S E -BC 40 66A 26 -17,-2.4 -18,-2.0 -2,-0.6 -17,-1.3 -0.810 5.7-144.4-102.2 139.5 17.5 1.6 21.3 58 58 A F - 0 0 35 7,-2.3 -20,-0.2 -2,-0.4 3,-0.1 -0.647 28.3 -94.6 -98.1 154.7 16.0 5.1 21.9 59 59 A P > - 0 0 22 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.177 54.1 -78.8 -61.7 160.1 17.8 8.1 23.2 60 60 A E T 3 S+ 0 0 199 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.260 118.2 31.3 -53.5 144.3 17.8 9.0 26.8 61 61 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.304 87.2 128.7 86.9 -10.3 14.5 10.8 27.8 62 62 A F S < S- 0 0 75 -3,-1.8 -1,-0.3 2,-0.2 -4,-0.1 -0.380 72.9-111.7 -73.0 157.0 12.4 8.9 25.3 63 63 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.852 101.0 37.9 -56.0 -36.0 9.2 7.3 26.4 64 64 A F - 0 0 87 1,-0.1 -2,-0.2 -5,-0.1 -6,-0.1 -0.844 67.1-145.8-118.7 150.7 10.6 3.8 25.8 65 65 A K S S- 0 0 171 -2,-0.3 -7,-2.3 1,-0.3 2,-0.3 0.905 73.3 -32.8 -77.5 -48.1 14.1 2.3 26.3 66 66 A Y E -C 57 0A 51 -9,-0.2 23,-0.5 2,-0.0 2,-0.3 -0.982 46.2-146.4-160.3 166.1 14.1 -0.1 23.4 67 67 A V E -CD 56 88A 13 -11,-2.1 -11,-3.2 -2,-0.3 2,-0.5 -0.967 16.0-136.8-133.3 152.8 12.2 -2.4 21.1 68 68 A K E -CD 55 87A 48 19,-2.6 18,-2.6 -2,-0.3 19,-1.1 -0.970 24.3-163.4-102.0 129.0 13.1 -5.6 19.5 69 69 A D E -CD 54 85A 27 -15,-2.7 -15,-2.6 -2,-0.5 2,-0.5 -0.877 6.3-153.0-110.1 144.7 11.9 -5.8 15.9 70 70 A R E -CD 53 84A 75 14,-2.9 14,-2.7 -2,-0.3 2,-0.3 -0.975 18.7-127.1-117.8 128.8 11.7 -9.0 13.7 71 71 A V E + D 0 83A 2 -19,-2.7 -20,-3.5 -2,-0.5 12,-0.3 -0.578 28.8 177.0 -67.3 128.2 11.9 -8.9 9.9 72 72 A D E - 0 0 42 10,-2.9 2,-0.3 1,-0.4 11,-0.2 0.830 61.3 -9.8-100.0 -45.9 8.8 -10.7 8.5 73 73 A E E - D 0 82A 113 9,-1.9 9,-2.7 -24,-0.1 2,-0.4 -0.990 49.9-162.4-157.0 144.0 9.2 -10.3 4.7 74 74 A V E - D 0 81A 34 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.966 7.0-171.4-134.4 114.2 11.4 -8.4 2.3 75 75 A D E >> - 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