==== 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 4A8V . COMPND 2 MOLECULE: MAJOR POLLEN ALLERGEN BET V 1-J; . 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) . 8962.0 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 . 57 35.8 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 . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 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 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 53 0, 0.0 121,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-177.4 -7.6 -9.7 18.8 2 2 A V E -A 121 0A 76 119,-0.2 2,-0.5 123,-0.0 119,-0.2 -0.970 360.0-162.8-123.0 130.0 -6.2 -7.5 16.1 3 3 A F E -A 120 0A 59 117,-2.3 117,-2.7 -2,-0.5 2,-0.4 -0.948 19.7-154.9-103.4 124.0 -6.2 -3.8 15.6 4 4 A N E +A 119 0A 71 -2,-0.5 2,-0.4 115,-0.2 115,-0.2 -0.868 13.9 179.8-109.5 132.6 -5.4 -2.8 12.0 5 5 A Y E -A 118 0A 59 113,-2.6 113,-2.7 -2,-0.4 2,-0.4 -0.997 2.9-174.0-133.7 135.2 -4.0 0.5 10.9 6 6 A E E +A 117 0A 144 -2,-0.4 2,-0.3 111,-0.2 111,-0.2 -0.943 13.0 154.9-126.0 141.5 -3.1 1.7 7.4 7 7 A T E -A 116 0A 55 109,-2.2 109,-2.9 -2,-0.4 2,-0.3 -0.963 25.7-138.3-152.2 169.8 -1.4 4.8 6.3 8 8 A E E -A 115 0A 115 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.980 12.1-171.9-131.7 151.9 0.7 6.2 3.4 9 9 A A E -A 114 0A 6 105,-2.1 105,-3.0 -2,-0.3 2,-0.3 -0.887 13.6-139.4-133.2 159.0 3.7 8.3 3.2 10 10 A T E -A 113 0A 90 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.868 13.5-172.0-119.1 157.1 5.5 9.9 0.2 11 11 A S E -A 112 0A 8 101,-2.3 101,-2.5 -2,-0.3 4,-0.1 -0.987 29.5-139.6-141.1 156.0 9.1 10.4 -0.7 12 12 A V S S+ 0 0 96 -2,-0.3 101,-0.1 99,-0.2 -1,-0.0 0.419 81.1 94.3 -90.3 2.3 11.0 12.3 -3.4 13 13 A I S S- 0 0 5 99,-0.1 -2,-0.1 1,-0.1 97,-0.1 -0.779 87.4-104.2 -97.4 133.7 13.5 9.3 -3.7 14 14 A P > - 0 0 67 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.209 34.0-112.5 -52.1 147.9 12.8 6.6 -6.3 15 15 A A H > S+ 0 0 4 96,-0.6 4,-2.6 1,-0.2 5,-0.2 0.833 109.2 48.1 -56.4 -51.0 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 0.911 115.4 44.8 -62.9 -41.9 14.3 0.9 -5.5 17 17 A R H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.920 113.7 49.5 -69.0 -42.0 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 0.917 111.6 49.7 -63.5 -40.7 14.7 4.1 -1.0 19 19 A F H X>S+ 0 0 4 -4,-2.6 5,-2.6 -5,-0.2 4,-1.4 0.936 109.4 52.0 -61.2 -45.1 14.1 0.4 -0.4 20 20 A K H <5S+ 0 0 107 -4,-2.3 5,-0.3 3,-0.2 -1,-0.2 0.878 123.0 29.3 -58.2 -40.9 17.8 -0.4 -0.6 21 21 A A H X5S+ 0 0 0 -4,-2.1 4,-0.9 3,-0.2 8,-0.2 0.954 125.5 38.1 -84.9 -62.0 18.6 2.3 2.0 22 22 A F H <5S+ 0 0 20 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.837 134.2 20.1 -66.5 -37.1 15.6 2.7 4.3 23 23 A I T ><X S+ 0 0 52 -4,-0.9 4,-2.8 -5,-0.3 3,-0.9 0.145 78.8 117.0-122.7 22.9 20.4 -0.9 5.2 26 26 A G H <> + 0 0 5 -3,-0.7 4,-2.3 1,-0.2 -1,-0.1 0.808 68.6 65.1 -61.3 -32.5 18.4 0.5 8.2 27 27 A D H 34 S+ 0 0 62 -4,-0.2 14,-0.3 1,-0.2 -1,-0.2 0.878 116.1 30.2 -60.1 -35.8 20.6 -1.2 10.8 28 28 A N H <> S+ 0 0 77 -3,-0.9 4,-0.9 2,-0.1 -2,-0.2 0.876 124.7 45.5 -84.8 -44.4 23.5 1.0 9.6 29 29 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -8,-0.2 5,-0.4 0.891 101.6 60.6 -76.2 -39.8 21.6 4.1 8.5 30 30 A F H X S+ 0 0 37 -4,-2.3 4,-2.3 1,-0.2 8,-0.3 0.945 108.6 41.5 -59.6 -43.7 19.1 4.7 11.3 31 31 A P H 4 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.820 118.9 49.5 -73.1 -21.1 21.7 5.2 14.1 32 32 A K H < S+ 0 0 108 -4,-0.9 -2,-0.2 -3,-0.2 -3,-0.1 0.918 122.1 27.8 -76.7 -50.0 23.8 7.3 11.6 33 33 A V H < S+ 0 0 29 -4,-3.0 -3,-0.2 1,-0.2 -1,-0.1 0.690 132.4 32.6 -91.8 -20.4 21.1 9.6 10.3 34 34 A A >X + 0 0 0 -4,-2.3 3,-2.4 -5,-0.4 4,-2.4 -0.361 63.4 150.9-134.9 55.8 18.7 9.8 13.2 35 35 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.757 75.3 60.4 -61.0 -26.3 20.9 9.4 16.4 36 36 A Q T 34 S+ 0 0 115 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.570 115.5 33.0 -74.8 -10.5 18.4 11.4 18.3 37 37 A A T <4 S+ 0 0 4 -3,-2.4 2,-0.4 1,-0.3 -1,-0.1 0.663 126.2 32.1-110.9 -30.3 15.7 8.8 17.5 38 38 A I < - 0 0 5 -4,-2.4 -1,-0.3 -8,-0.3 20,-0.2 -0.986 54.7-171.9-137.7 115.6 17.7 5.5 17.4 39 39 A S - 0 0 61 18,-2.2 2,-0.3 -2,-0.4 19,-0.2 0.812 69.4 -24.4 -81.2 -29.2 20.7 4.9 19.6 40 40 A S E -B 57 0A 51 17,-1.1 17,-2.4 2,-0.0 2,-0.4 -0.967 46.5-139.8-171.7 160.2 21.8 1.6 18.1 41 41 A V E -B 56 0A 28 -2,-0.3 2,-0.5 -14,-0.3 15,-0.2 -0.988 21.2-167.2-130.7 122.7 20.7 -1.5 16.1 42 42 A E E -B 55 0A 104 13,-2.7 13,-2.7 -2,-0.4 2,-0.6 -0.935 18.5-137.3-111.3 127.7 22.0 -4.9 17.1 43 43 A N E +B 54 0A 73 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.762 25.5 175.3 -78.4 123.8 21.7 -8.0 15.0 44 44 A I E - 0 0 64 9,-2.9 2,-0.3 -2,-0.6 10,-0.2 0.851 62.4 -7.6 -96.2 -42.2 20.8 -10.8 17.5 45 45 A E E S+B 53 0A 136 8,-1.5 8,-2.5 1,-0.0 -1,-0.4 -0.983 97.7 37.2-156.7 140.6 20.3 -13.8 15.2 46 46 A G - 0 0 39 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 0.065 69.1 -99.8 100.7 160.2 20.0 -14.5 11.5 47 47 A N S S- 0 0 175 3,-0.1 -1,-0.1 5,-0.0 4,-0.0 0.167 76.8 -75.6-109.6 16.2 21.5 -13.4 8.2 48 48 A G S S+ 0 0 36 1,-0.4 3,-0.1 -3,-0.2 -2,-0.1 0.120 100.5 92.3 119.2 -16.1 18.8 -10.9 7.1 49 49 A G S > S- 0 0 32 1,-0.2 3,-2.4 22,-0.0 -1,-0.4 -0.162 88.9 -27.8 -91.9-168.0 15.9 -13.0 5.9 50 50 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.108 130.3 21.7 -40.6 125.1 12.8 -14.4 7.6 51 51 A G T 3 S+ 0 0 40 20,-3.3 21,-0.1 1,-0.3 2,-0.1 0.213 81.3 142.9 95.0 -7.0 13.4 -14.9 11.3 52 52 A T < - 0 0 3 -3,-2.4 19,-2.7 19,-0.1 2,-0.5 -0.372 37.7-151.1 -64.2 131.9 16.3 -12.4 11.7 53 53 A I E -BC 45 70A 40 -8,-2.5 -9,-2.9 17,-0.2 -8,-1.5 -0.952 14.9-177.0-112.3 132.8 16.0 -10.6 15.0 54 54 A K E -BC 43 69A 24 15,-2.6 15,-2.5 -2,-0.5 2,-0.6 -0.960 20.1-140.2-123.5 146.9 17.4 -7.2 15.7 55 55 A K E -BC 42 68A 59 -13,-2.7 -13,-2.7 -2,-0.4 2,-0.6 -0.939 16.7-164.2-107.7 115.8 17.4 -5.1 18.9 56 56 A I E -BC 41 67A 20 11,-3.1 11,-2.3 -2,-0.6 2,-0.4 -0.910 7.7-159.3-103.4 117.8 16.6 -1.4 18.3 57 57 A S E -BC 40 66A 26 -17,-2.4 -18,-2.2 -2,-0.6 -17,-1.1 -0.821 3.6-145.9-101.4 144.4 17.6 0.8 21.3 58 58 A F - 0 0 38 7,-2.4 -20,-0.2 -2,-0.4 3,-0.1 -0.682 26.6 -96.8-103.5 156.1 16.1 4.2 21.9 59 59 A P > - 0 0 27 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.195 52.9 -77.8 -64.9 161.9 17.9 7.2 23.4 60 60 A E T 3 S+ 0 0 195 1,-0.2 4,-0.0 3,-0.0 5,-0.0 -0.244 117.4 32.3 -54.1 144.6 17.6 8.2 27.0 61 61 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.273 86.6 125.1 88.3 -12.1 14.4 9.9 27.8 62 62 A F S < S- 0 0 77 -3,-1.7 -1,-0.3 2,-0.2 -4,-0.0 -0.368 74.5-111.1 -72.8 159.3 12.3 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 0.882 100.0 38.6 -60.7 -35.4 9.1 6.2 26.5 64 64 A F - 0 0 74 1,-0.1 -2,-0.2 -5,-0.1 -6,-0.1 -0.850 66.5-144.7-117.8 154.1 10.7 2.8 25.8 65 65 A K S S- 0 0 170 -2,-0.3 -7,-2.4 1,-0.3 2,-0.3 0.901 73.9 -34.4 -79.4 -47.7 14.1 1.4 26.2 66 66 A Y E -C 57 0A 49 -9,-0.3 23,-0.8 2,-0.0 2,-0.3 -0.979 46.5-142.1-162.9 164.3 14.2 -0.9 23.2 67 67 A V E -CD 56 88A 14 -11,-2.3 -11,-3.1 -2,-0.3 2,-0.5 -0.974 15.0-138.1-131.8 152.7 12.2 -3.2 20.9 68 68 A K E -CD 55 87A 45 19,-2.6 18,-2.7 -2,-0.3 19,-1.0 -0.975 22.8-163.9-103.8 124.2 13.2 -6.4 19.3 69 69 A D E -CD 54 85A 29 -15,-2.5 -15,-2.6 -2,-0.5 2,-0.5 -0.924 4.8-154.3-107.9 137.3 12.0 -6.7 15.6 70 70 A R E -CD 53 84A 75 14,-2.9 14,-2.5 -2,-0.4 2,-0.2 -0.962 19.3-125.3-110.8 127.5 11.9 -9.9 13.7 71 71 A V E + D 0 83A 4 -19,-2.7 -20,-3.3 -2,-0.5 12,-0.3 -0.497 29.4 176.4 -66.5 129.7 12.1 -9.9 9.9 72 72 A D E - 0 0 40 10,-2.9 2,-0.3 1,-0.4 11,-0.2 0.836 62.2 -12.8 -99.5 -52.1 9.0 -11.8 8.5 73 73 A E E - D 0 82A 129 9,-1.7 9,-2.7 -24,-0.1 2,-0.4 -0.991 50.1-161.0-153.9 149.7 9.5 -11.4 4.7 74 74 A V E - D 0 81A 36 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.974 4.3-169.8-139.4 114.7 11.6 -9.4 2.3 75 75 A D E >> - 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