==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 12-AUG-02 1H2O . COMPND 2 MOLECULE: MAJOR ALLERGEN PRU AV 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PRUNUS AVIUM; . AUTHOR P.NEUDECKER,K.LEHMANN,J.NERKAMP,K.SCHWEIMER,H.STICHT, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 70.4 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 . 51 32.1 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 . 0 0.0 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 3 0 0 1 1 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 93 0, 0.0 121,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 6.3 -34.8 71.2 2.8 2 2 A V E -A 121 0A 74 119,-0.2 2,-0.3 117,-0.0 119,-0.2 -0.956 360.0-142.4-122.3 137.1 -31.7 68.9 3.4 3 3 A F E -A 120 0A 32 117,-1.0 117,-1.1 -2,-0.4 2,-0.5 -0.709 10.7-156.4 -95.7 146.9 -31.8 65.3 4.7 4 4 A T E +A 119 0A 96 -2,-0.3 2,-0.4 115,-0.2 115,-0.2 -0.946 17.6 167.0-127.3 117.3 -29.2 64.0 7.1 5 5 A Y E -A 118 0A 60 113,-2.6 113,-3.0 -2,-0.5 2,-0.3 -0.987 7.2-178.8-129.7 132.9 -28.4 60.3 7.4 6 6 A E E -A 117 0A 122 -2,-0.4 2,-0.3 111,-0.3 111,-0.3 -0.941 5.6-165.8-130.2 153.5 -25.3 58.7 9.1 7 7 A S E -A 116 0A 37 109,-2.9 109,-1.4 -2,-0.3 2,-0.3 -0.873 2.1-161.8-131.8 165.9 -24.1 55.2 9.6 8 8 A E E +A 115 0A 122 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.896 23.7 137.5-154.1 122.0 -21.5 53.5 11.9 9 9 A F E -A 114 0A 26 105,-2.4 105,-4.2 -2,-0.3 2,-0.3 -0.875 29.4-139.0-149.5-178.3 -19.8 50.1 11.6 10 10 A T E -A 113 0A 84 103,-0.3 2,-0.3 -2,-0.3 103,-0.3 -0.886 9.9-167.7-142.4 174.6 -16.3 48.5 12.0 11 11 A S E -A 112 0A 15 101,-2.4 101,-4.2 -2,-0.3 96,-0.2 -0.991 32.5-122.1-159.8 162.2 -14.0 45.9 10.4 12 12 A E S S+ 0 0 154 -2,-0.3 -1,-0.1 99,-0.3 101,-0.1 0.728 86.5 92.3 -83.5 -20.3 -10.8 43.9 11.1 13 13 A I S S- 0 0 13 99,-0.1 99,-0.2 1,-0.1 -2,-0.2 -0.439 90.2 -98.0 -74.1 149.7 -9.1 45.3 8.0 14 14 A P > - 0 0 48 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.380 21.7-137.8 -67.6 142.2 -7.0 48.4 8.3 15 15 A P H > S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.804 100.7 59.5 -72.4 -30.9 -8.7 51.7 7.4 16 16 A P H > S+ 0 0 35 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.792 108.5 46.7 -70.4 -23.8 -5.6 53.1 5.5 17 17 A R H > S+ 0 0 28 -3,-0.2 4,-1.7 2,-0.2 5,-0.1 0.915 116.5 41.6 -82.2 -44.1 -5.8 50.1 3.2 18 18 A L H X S+ 0 0 7 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.864 114.1 56.0 -70.9 -31.4 -9.5 50.4 2.6 19 19 A F H X>S+ 0 0 3 -4,-2.5 4,-3.9 2,-0.2 5,-0.8 0.991 106.2 47.0 -63.7 -58.8 -9.2 54.1 2.3 20 20 A K H <>S+ 0 0 98 -4,-1.6 5,-0.6 1,-0.3 6,-0.3 0.910 116.8 46.7 -50.2 -41.2 -6.6 54.1 -0.4 21 21 A A H <5S+ 0 0 0 -4,-1.7 8,-0.3 3,-0.2 -1,-0.3 0.875 117.3 42.4 -70.5 -36.2 -8.8 51.6 -2.2 22 22 A F H <5S+ 0 0 25 -4,-2.5 -2,-0.2 -3,-0.2 -3,-0.2 0.895 136.6 11.5 -79.2 -40.3 -12.0 53.6 -1.6 23 23 A V T <5S+ 0 0 11 -4,-3.9 3,-0.3 -5,-0.2 -3,-0.2 0.849 136.8 35.8-103.8 -54.8 -10.5 57.1 -2.4 24 24 A L T > + 0 0 16 -3,-0.3 4,-0.9 -6,-0.3 -2,-0.1 0.721 69.4 72.9 -60.6 -16.5 -12.0 53.7 -6.1 27 27 A D H 34 S+ 0 0 58 1,-0.2 14,-0.3 -4,-0.2 -1,-0.3 0.772 118.6 14.0 -70.9 -22.1 -11.5 53.9 -9.9 28 28 A N H <4 S+ 0 0 66 -3,-2.0 -2,-0.2 -7,-0.2 -1,-0.2 0.338 119.5 68.2-132.1 3.3 -10.6 50.1 -9.9 29 29 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 -8,-0.3 3,-0.5 0.851 104.9 39.1 -92.3 -39.4 -11.7 49.0 -6.5 30 30 A V H X S+ 0 0 17 -4,-0.9 4,-1.8 -5,-0.2 8,-0.3 0.907 115.7 50.9 -77.1 -40.8 -15.5 49.3 -6.9 31 31 A P H 4 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.372 118.9 40.6 -77.8 7.9 -15.5 48.1 -10.5 32 32 A K H 4 S+ 0 0 123 -3,-0.5 -2,-0.2 2,-0.1 -3,-0.1 0.655 118.3 40.5-121.5 -38.2 -13.5 45.0 -9.3 33 33 A I H < S+ 0 0 35 -4,-2.1 -3,-0.2 1,-0.2 -4,-0.1 0.885 136.2 15.6 -80.2 -39.1 -15.1 44.1 -6.0 34 34 A A >X + 0 0 6 -4,-1.8 3,-1.3 -5,-0.3 4,-1.3 -0.636 63.9 165.8-137.7 80.0 -18.7 44.8 -7.2 35 35 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.446 72.0 74.3 -73.1 1.1 -18.9 44.9 -11.0 36 36 A Q T 34 S+ 0 0 165 22,-0.1 23,-0.3 -3,-0.1 3,-0.1 0.689 104.7 33.4 -88.0 -17.4 -22.7 44.6 -10.7 37 37 A A T <4 S+ 0 0 39 -3,-1.3 22,-0.7 1,-0.3 2,-0.4 0.855 125.3 28.9-101.2 -56.4 -23.1 48.2 -9.5 38 38 A I E < -B 58 0A 18 -4,-1.3 20,-0.3 -8,-0.3 -1,-0.3 -0.826 52.6-177.5-107.4 145.5 -20.4 50.2 -11.2 39 39 A K E - 0 0 124 18,-2.8 2,-0.3 1,-0.4 19,-0.2 0.647 69.6 -2.5-112.6 -23.5 -18.9 49.3 -14.7 40 40 A H E -B 57 0A 73 17,-0.9 17,-2.7 2,-0.0 -1,-0.4 -0.992 54.1-151.7-163.0 158.2 -16.3 52.0 -15.1 41 41 A S E +B 56 0A 22 -2,-0.3 2,-0.4 -14,-0.3 15,-0.2 -0.970 15.3 170.7-140.9 124.5 -14.8 55.1 -13.4 42 42 A E E -B 55 0A 102 13,-1.1 13,-1.4 -2,-0.4 -2,-0.0 -0.885 31.2-130.5-137.6 108.2 -13.2 58.1 -15.1 43 43 A I E -B 54 0A 36 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.284 20.4-172.2 -54.8 131.4 -12.3 61.3 -13.1 44 44 A L + 0 0 69 9,-4.5 2,-0.3 1,-0.1 10,-0.2 0.799 66.0 30.4 -97.5 -34.9 -13.6 64.3 -15.0 45 45 A W S S- 0 0 168 8,-1.8 8,-0.4 0, 0.0 3,-0.4 -0.847 118.3 -21.4-123.0 161.8 -12.1 67.2 -13.0 46 46 A G S S- 0 0 59 -2,-0.3 5,-0.0 6,-0.2 -3,-0.0 -0.066 88.3 -89.8 40.2-133.6 -8.8 67.5 -11.0 47 47 A D S S- 0 0 138 7,-0.0 -1,-0.2 3,-0.0 -4,-0.1 0.175 82.6 -48.5-157.7 20.1 -7.6 64.0 -10.1 48 48 A G S S+ 0 0 15 -3,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.096 103.5 116.2 128.6 -21.7 -9.2 63.2 -6.7 49 49 A G S > S- 0 0 33 1,-0.2 3,-1.3 2,-0.1 2,-0.3 0.018 83.0 -62.4 -65.7-175.9 -8.4 66.4 -4.8 50 50 A P T 3 S+ 0 0 103 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 -0.532 126.7 26.4 -73.2 128.7 -11.2 68.7 -3.5 51 51 A G T 3 S+ 0 0 32 20,-2.5 -5,-0.1 1,-0.3 21,-0.1 0.223 91.8 129.2 103.2 -14.3 -13.2 70.2 -6.4 52 52 A T < - 0 0 4 -3,-1.3 19,-1.4 -7,-0.1 2,-0.4 -0.224 50.6-140.3 -67.9 164.1 -12.5 67.3 -8.7 53 53 A I E - C 0 70A 29 -8,-0.4 -9,-4.5 17,-0.3 -8,-1.8 -0.972 11.5-163.0-132.0 121.6 -15.4 65.5 -10.4 54 54 A K E -BC 43 69A 11 15,-4.0 15,-3.8 -2,-0.4 2,-0.9 -0.861 9.3-150.6-106.0 135.8 -15.6 61.7 -10.9 55 55 A K E -BC 42 68A 41 -13,-1.4 -13,-1.1 -2,-0.4 2,-0.3 -0.746 17.6-170.9-104.7 89.6 -18.0 60.1 -13.4 56 56 A I E -BC 41 67A 33 -2,-0.9 11,-3.3 11,-0.9 2,-0.3 -0.582 6.6-157.2 -79.9 138.7 -18.9 56.7 -12.0 57 57 A T E -BC 40 66A 2 -17,-2.7 -18,-2.8 9,-0.3 -17,-0.9 -0.857 1.5-150.8-116.5 152.9 -20.8 54.4 -14.4 58 58 A F E -BC 38 65A 45 7,-3.0 7,-0.6 -20,-0.3 -20,-0.2 -0.702 10.7-157.5-115.3 169.8 -23.1 51.5 -13.7 59 59 A G + 0 0 34 -22,-0.7 -21,-0.1 -23,-0.3 -22,-0.1 0.008 44.9 133.2-136.1 29.9 -24.0 48.3 -15.7 60 60 A E S S- 0 0 158 -23,-0.3 2,-0.3 5,-0.2 4,-0.1 0.792 86.5 -38.4 -54.1 -23.5 -27.4 47.3 -14.2 61 61 A G S S- 0 0 46 2,-0.4 4,-0.2 1,-0.1 -1,-0.1 -0.955 82.7 -60.0-176.4-166.9 -28.4 46.9 -17.8 62 62 A S S S+ 0 0 125 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.946 101.6 93.9 -64.6 -45.7 -28.1 48.4 -21.3 63 63 A Q S S- 0 0 169 1,-0.1 2,-0.4 -3,-0.1 -2,-0.4 -0.157 92.9-106.1 -46.9 135.5 -29.6 51.7 -20.3 64 64 A Y + 0 0 146 -4,-0.1 2,-0.5 -5,-0.1 -1,-0.1 -0.514 44.0 177.7 -69.4 122.1 -26.8 54.1 -19.4 65 65 A G E +C 58 0A 16 -7,-0.6 -7,-3.0 -2,-0.4 2,-0.3 -0.859 20.3 131.4-129.6 99.9 -26.7 54.4 -15.6 66 66 A Y E -C 57 0A 57 -2,-0.5 23,-0.4 -9,-0.3 -9,-0.3 -0.893 32.3-153.5-140.3 171.7 -23.8 56.6 -14.2 67 67 A V E -C 56 0A 10 -11,-3.3 -11,-0.9 -2,-0.3 2,-0.5 -0.883 16.1-121.6-141.1 173.8 -23.3 59.5 -11.8 68 68 A K E -C 55 0A 53 19,-0.5 18,-2.0 -2,-0.3 19,-0.9 -0.971 20.2-163.2-123.2 127.3 -21.0 62.4 -11.1 69 69 A H E -CD 54 85A 31 -15,-3.8 -15,-4.0 -2,-0.5 2,-0.8 -0.923 4.2-159.6-113.7 126.5 -19.0 62.8 -7.8 70 70 A K E -CD 53 84A 93 14,-4.2 14,-3.7 -2,-0.5 -17,-0.3 -0.851 24.9-127.1-104.2 106.6 -17.4 66.2 -6.8 71 71 A I E + D 0 83A 1 -19,-1.4 -20,-2.5 -2,-0.8 12,-0.3 -0.193 30.0 177.3 -49.8 136.0 -14.7 65.6 -4.2 72 72 A D E - 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