==== 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 4A81 . 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) . 8714.0 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 . 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 . 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 59 0, 0.0 121,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-178.6 -7.6 -9.6 18.9 2 2 A V E -A 121 0A 73 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.939 360.0-163.3-115.1 133.9 -6.1 -7.5 16.2 3 3 A F E -A 120 0A 55 117,-2.1 117,-2.6 -2,-0.5 2,-0.5 -0.967 18.4-154.8-104.0 125.0 -6.3 -3.7 15.6 4 4 A N E -A 119 0A 64 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.900 13.1-178.5-107.8 128.5 -5.3 -2.8 12.1 5 5 A Y E -A 118 0A 71 113,-3.1 113,-3.3 -2,-0.5 2,-0.3 -0.990 3.5-173.5-125.2 132.3 -4.0 0.7 11.2 6 6 A E E +A 117 0A 148 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.918 8.9 162.1-120.1 146.0 -3.0 1.8 7.7 7 7 A T E -A 116 0A 52 109,-2.4 109,-3.1 -2,-0.3 2,-0.4 -0.979 21.6-146.0-150.0 169.2 -1.4 4.9 6.4 8 8 A E E +A 115 0A 112 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.968 15.9 176.4-128.4 146.8 0.5 6.3 3.4 9 9 A T E -A 114 0A 16 105,-2.0 105,-3.2 -2,-0.4 2,-0.3 -0.979 22.3-125.5-146.4 156.1 3.2 8.7 3.2 10 10 A T E -A 113 0A 86 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.653 16.1-163.2-105.5 154.5 5.2 10.0 0.3 11 11 A S E -A 112 0A 6 101,-2.7 101,-2.8 -2,-0.3 4,-0.1 -0.973 23.1-143.6-132.3 154.5 8.9 10.2 -0.4 12 12 A V S S+ 0 0 93 -2,-0.3 101,-0.1 99,-0.3 -1,-0.0 0.450 80.6 89.7 -91.7 -3.9 11.0 12.2 -2.8 13 13 A I S S- 0 0 2 99,-0.1 -2,-0.1 1,-0.1 97,-0.1 -0.770 88.4-104.4 -97.9 134.1 13.4 9.2 -3.3 14 14 A P > - 0 0 63 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.246 33.0-113.2 -55.3 153.8 12.7 6.5 -5.9 15 15 A A H > S+ 0 0 5 96,-0.6 4,-2.7 1,-0.2 5,-0.2 0.862 109.6 47.7 -64.7 -46.8 11.3 3.3 -4.7 16 16 A A H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 115.2 45.2 -59.6 -47.4 14.2 0.9 -5.4 17 17 A R H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 114.3 48.4 -66.9 -44.3 16.8 3.2 -3.9 18 18 A L H X>S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.7 0.876 110.3 52.8 -58.6 -42.9 14.7 3.9 -0.8 19 19 A F H X>S+ 0 0 4 -4,-2.7 5,-2.6 -5,-0.2 4,-1.1 0.923 111.7 45.8 -60.2 -44.5 14.1 0.2 -0.4 20 20 A K H <5S+ 0 0 105 -4,-2.2 5,-0.3 3,-0.2 -2,-0.2 0.919 125.0 31.9 -62.5 -42.7 17.8 -0.5 -0.5 21 21 A A H X5S+ 0 0 0 -4,-2.4 4,-1.1 3,-0.2 8,-0.3 0.985 126.2 35.5 -80.0 -66.1 18.6 2.4 1.9 22 22 A F H <5S+ 0 0 21 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.836 134.8 20.3 -64.0 -38.9 15.7 2.6 4.3 23 23 A I T >< + 0 0 3 -3,-1.3 4,-2.7 2,-0.2 -2,-0.1 0.822 68.0 61.4 -62.6 -34.1 18.3 0.5 8.0 27 27 A D H 4 S+ 0 0 55 -4,-0.3 -1,-0.2 1,-0.2 14,-0.2 0.892 114.4 35.2 -63.0 -45.1 20.5 -1.0 10.9 28 28 A N H > S+ 0 0 73 -3,-0.2 4,-0.8 2,-0.1 -2,-0.2 0.895 121.1 46.2 -64.8 -51.7 23.4 1.1 9.7 29 29 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 -8,-0.3 5,-0.5 0.854 101.8 59.8 -72.3 -36.0 21.5 4.2 8.6 30 30 A F H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 8,-0.3 0.938 107.8 43.5 -65.3 -45.1 19.1 4.8 11.5 31 31 A P H 4 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.750 120.2 44.9 -66.9 -23.7 21.7 5.3 14.3 32 32 A K H < S+ 0 0 111 -4,-0.8 -2,-0.2 -3,-0.2 -3,-0.1 0.913 124.4 27.7 -85.5 -47.3 23.8 7.4 12.0 33 33 A V H < S+ 0 0 30 -4,-3.2 -3,-0.2 1,-0.2 3,-0.1 0.768 133.3 30.7 -94.9 -25.7 21.2 9.8 10.4 34 34 A A >X + 0 0 0 -4,-2.3 3,-2.2 -5,-0.5 4,-2.2 -0.379 65.1 151.3-130.9 57.7 18.6 9.8 13.2 35 35 A P T 34 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 75.7 59.8 -58.4 -29.4 20.6 9.4 16.6 36 36 A Q T 34 S+ 0 0 114 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.397 114.8 36.5 -79.0 2.5 18.0 11.3 18.5 37 37 A A T <4 S+ 0 0 2 -3,-2.2 2,-0.4 1,-0.4 -1,-0.1 0.654 129.2 19.7-117.0 -45.5 15.4 8.7 17.4 38 38 A I < - 0 0 10 -4,-2.2 -1,-0.4 -8,-0.3 20,-0.2 -0.992 56.9-169.7-136.1 119.4 17.3 5.3 17.5 39 39 A S - 0 0 60 18,-2.1 2,-0.3 -2,-0.4 19,-0.2 0.858 69.5 -15.5 -81.1 -37.9 20.5 4.9 19.5 40 40 A S E -B 57 0A 52 17,-1.2 17,-2.0 2,-0.0 2,-0.4 -0.984 47.6-144.7-158.2 163.5 21.6 1.5 18.1 41 41 A V E -B 56 0A 27 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.942 20.3-164.7-135.7 116.6 20.4 -1.5 16.2 42 42 A E E -B 55 0A 99 13,-2.4 13,-2.7 -2,-0.4 2,-0.7 -0.876 17.0-138.0-103.2 124.1 21.8 -4.9 17.3 43 43 A N E +B 54 0A 83 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.778 25.8 175.3 -80.0 115.6 21.6 -8.0 15.1 44 44 A I E - 0 0 60 9,-2.9 2,-0.3 -2,-0.7 10,-0.2 0.818 62.8 -12.7 -90.8 -45.1 20.7 -10.8 17.6 45 45 A E E S+B 53 0A 140 8,-2.0 8,-2.4 6,-0.0 -1,-0.4 -0.968 98.2 35.1-155.7 141.3 20.3 -13.7 15.2 46 46 A G S S- 0 0 42 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 -0.125 74.1 -88.5 107.9 168.0 19.9 -14.3 11.4 47 47 A N S S- 0 0 169 3,-0.2 -1,-0.1 -2,-0.0 4,-0.0 0.140 75.0 -80.6-101.5 19.3 21.2 -13.0 8.1 48 48 A G S S+ 0 0 30 1,-0.4 3,-0.1 -3,-0.2 -2,-0.1 0.078 103.0 104.2 95.6 -19.6 18.6 -10.2 7.4 49 49 A G S > S- 0 0 28 1,-0.2 3,-2.4 2,-0.1 -1,-0.4 -0.124 86.0 -40.2 -79.8-173.9 16.0 -12.7 6.0 50 50 A P T 3 S+ 0 0 96 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 -0.167 129.6 23.9 -41.9 131.5 12.8 -14.1 7.5 51 51 A G T 3 S+ 0 0 43 20,-4.4 21,-0.1 1,-0.3 -2,-0.1 0.137 82.6 145.0 92.4 -19.3 13.3 -14.9 11.2 52 52 A T < - 0 0 2 -3,-2.4 19,-2.8 18,-0.1 2,-0.5 -0.310 37.7-149.4 -57.5 134.1 16.2 -12.4 11.8 53 53 A I E +BC 45 70A 39 -8,-2.4 -9,-2.9 17,-0.2 -8,-2.0 -0.933 18.2 177.7-114.0 130.9 16.0 -10.9 15.3 54 54 A K E -BC 43 69A 17 15,-1.9 15,-2.2 -2,-0.5 2,-0.6 -0.929 23.7-138.5-128.8 153.2 17.2 -7.4 16.0 55 55 A K E -BC 42 68A 54 -13,-2.7 -13,-2.4 -2,-0.3 2,-0.6 -0.949 15.5-162.2-118.6 114.6 17.2 -5.2 19.1 56 56 A I E -BC 41 67A 27 11,-3.0 11,-2.1 -2,-0.6 2,-0.4 -0.856 9.5-161.2-100.3 114.6 16.3 -1.6 18.4 57 57 A S E -BC 40 66A 28 -17,-2.0 -18,-2.1 -2,-0.6 -17,-1.2 -0.801 5.9-143.1-100.2 139.4 17.3 0.7 21.4 58 58 A F - 0 0 37 7,-2.5 -20,-0.2 -2,-0.4 3,-0.1 -0.706 27.5 -95.5-100.9 152.9 15.9 4.1 21.9 59 59 A P > - 0 0 23 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.111 55.1 -79.2 -57.8 157.7 17.8 7.2 23.2 60 60 A E T 3 S+ 0 0 197 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.242 118.9 32.8 -52.0 144.7 17.8 8.1 26.9 61 61 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.285 86.7 127.0 88.3 -9.9 14.5 9.9 27.9 62 62 A F S < S- 0 0 78 -3,-1.8 -1,-0.3 2,-0.2 -4,-0.1 -0.435 73.4-111.5 -77.8 156.4 12.3 8.0 25.3 63 63 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.811 100.9 38.8 -55.4 -34.5 9.1 6.2 26.7 64 64 A F - 0 0 77 1,-0.1 -2,-0.2 -5,-0.1 -6,-0.1 -0.873 67.8-145.5-119.8 152.4 10.6 2.8 26.0 65 65 A K S S- 0 0 171 1,-0.3 -7,-2.5 -2,-0.3 2,-0.3 0.915 73.0 -36.7 -80.0 -50.8 14.1 1.4 26.4 66 66 A Y E -C 57 0A 51 -9,-0.3 23,-0.7 2,-0.0 -1,-0.3 -0.961 46.6-144.0-162.3 165.7 14.1 -1.0 23.4 67 67 A V E -CD 56 88A 15 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.5 -0.943 14.5-138.0-130.7 154.4 12.1 -3.4 21.3 68 68 A K E -CD 55 87A 44 19,-2.6 18,-2.5 -2,-0.3 19,-1.4 -0.966 24.4-168.1-105.5 128.3 13.1 -6.6 19.6 69 69 A D E -CD 54 85A 11 -15,-2.2 -15,-1.9 -2,-0.5 2,-0.4 -0.771 11.2-146.5-113.0 161.6 11.7 -7.2 16.1 70 70 A R E -CD 53 84A 79 14,-2.3 14,-2.8 -2,-0.3 2,-0.3 -0.999 19.2-125.2-129.0 131.1 11.6 -10.2 13.9 71 71 A V E + D 0 83A 0 -19,-2.8 -20,-4.4 -2,-0.4 12,-0.3 -0.565 29.7 175.3 -72.1 127.4 11.9 -10.1 10.1 72 72 A D E - 0 0 49 10,-2.8 2,-0.3 1,-0.4 11,-0.2 0.780 60.5 -8.6-101.5 -42.7 8.9 -11.9 8.6 73 73 A E E - D 0 82A 102 9,-2.1 9,-2.5 -24,-0.1 2,-0.4 -0.987 48.4-163.5-164.0 146.4 9.3 -11.4 4.9 74 74 A V E - D 0 81A 31 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.984 6.8-173.6-141.2 118.5 11.4 -9.4 2.4 75 75 A D E >> - D 0 80A 39 5,-3.1 5,-1.9 -2,-0.4 4,-0.6 -0.876 6.8-179.2-127.9 95.0 10.3 -9.0 -1.2 76 76 A H T 45S+ 0 0 116 -2,-0.6 -1,-0.1 3,-0.2 -57,-0.0 0.579 81.6 56.3 -62.0 -18.7 13.0 -7.4 -3.3 77 77 A T T 45S+ 0 0 116 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.905 120.1 24.5 -87.8 -45.9 10.7 -7.5 -6.3 78 78 A N T 45S- 0 0 74 2,-0.1 26,-0.3 27,-0.0 -2,-0.2 0.266 105.5-118.3-104.2 11.5 7.7 -5.7 -5.0 79 79 A F T <5 + 0 0 57 -4,-0.6 25,-2.1 1,-0.2 2,-0.4 0.904 61.1 152.3 51.5 47.2 9.6 -3.7 -2.4 80 80 A K E < -DE 75 103A 67 -5,-1.9 -5,-3.1 23,-0.2 2,-0.4 -0.898 23.1-177.4-108.7 142.0 7.6 -5.3 0.5 81 81 A Y E -DE 74 102A 18 21,-2.7 21,-2.8 -2,-0.4 2,-0.4 -0.952 2.5-173.7-144.6 118.5 9.0 -5.8 4.0 82 82 A N E +DE 73 101A 17 -9,-2.5 -10,-2.8 -2,-0.4 -9,-2.1 -0.905 14.7 157.5-115.5 136.3 7.1 -7.4 6.9 83 83 A Y E -DE 71 100A 56 17,-2.0 17,-2.8 -2,-0.4 2,-0.4 -0.975 26.4-139.0-153.7 156.7 8.4 -7.5 10.4 84 84 A S E -DE 70 99A 0 -14,-2.8 -14,-2.3 -2,-0.3 2,-0.7 -0.969 14.4-134.0-126.6 134.3 6.9 -8.0 13.9 85 85 A V E +DE 69 98A 14 13,-3.2 13,-1.8 -2,-0.4 -16,-0.3 -0.844 37.8 167.2 -78.6 116.2 7.7 -6.2 17.2 86 86 A I E + 0 0 47 -18,-2.5 2,-0.3 -2,-0.7 -17,-0.2 0.562 50.9 18.7-114.7 -16.6 7.9 -9.3 19.4 87 87 A E E S+D 68 0A 82 -19,-1.4 -19,-2.6 4,-0.0 -1,-0.3 -0.993 91.6 23.6-156.1 150.3 9.5 -8.2 22.8 88 88 A G E > S+D 67 0A 11 3,-0.4 3,-3.0 -2,-0.3 -21,-0.2 -0.110 88.4 40.0 90.9 171.0 10.2 -5.1 24.9 89 89 A G T 3 S+ 0 0 30 -23,-0.7 -1,-0.2 1,-0.3 -22,-0.1 -0.227 132.0 0.3 51.4-120.9 8.7 -1.7 25.1 90 90 A P T 3 S+ 0 0 23 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.650 107.2 108.2 -73.1 -14.1 5.0 -2.0 24.9 91 91 A I < + 0 0 31 -3,-3.0 -3,-0.4 3,-0.1 2,-0.3 -0.476 52.8 84.3 -67.3 131.9 5.1 -5.8 24.5 92 92 A G B > S-G 95 0B 34 3,-2.6 3,-0.6 -2,-0.2 -1,-0.0 -0.893 91.3 -17.7 172.1-150.2 3.8 -7.5 27.6 93 93 A D T 3 S+ 0 0 138 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.454 135.8 35.7 -71.3 -4.7 0.7 -8.6 29.4 94 94 A T T 3 S+ 0 0 79 -4,-0.3 29,-0.5 1,-0.3 2,-0.4 0.434 119.8 43.4-119.9 -10.3 -1.6 -6.4 27.3 95 95 A L B < -G 92 0B 10 -3,-0.6 -3,-2.6 27,-0.2 -1,-0.3 -0.955 53.5-178.0-144.0 118.1 0.1 -6.6 23.8 96 96 A E - 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