==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 20-FEB-12 2LPX . COMPND 2 MOLECULE: MAJOR STRAWBERRY ALLERGEN FRA A 1-E; . SOURCE 2 ORGANISM_SCIENTIFIC: FRAGARIA X ANANASSA; . AUTHOR C.SEUTTER VON LOETZEN,O.HARTL-SPIEGELHAUER,K.SCHWEIMER,W.SCH . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 62.3 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 . 48 30.2 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 24.5 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 1 1 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 2 1 0 0 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 2 A G 0 0 97 0, 0.0 2,-0.4 0, 0.0 123,-0.1 0.000 360.0 360.0 360.0 -52.8 -9.9 -1.4 19.7 2 3 A V - 0 0 45 125,-0.0 2,-0.4 117,-0.0 119,-0.1 -0.949 360.0-156.8-118.6 133.1 -7.1 -2.0 17.2 3 4 A Y - 0 0 200 -2,-0.4 117,-0.4 117,-0.1 2,-0.3 -0.857 13.4-133.9-108.2 142.0 -4.5 0.6 16.3 4 5 A T - 0 0 83 -2,-0.4 2,-0.4 115,-0.1 115,-0.2 -0.716 18.1-160.3 -93.7 143.1 -2.5 0.6 13.0 5 6 A Y E -A 118 0A 96 113,-1.9 113,-2.3 -2,-0.3 2,-0.4 -0.968 2.2-156.3-124.8 137.5 1.3 1.1 13.0 6 7 A E E -A 117 0A 96 -2,-0.4 2,-0.4 111,-0.2 111,-0.2 -0.915 7.5-168.1-113.6 136.3 3.4 2.2 10.1 7 8 A N E -A 116 0A 58 109,-2.7 109,-2.6 -2,-0.4 2,-0.4 -0.973 4.8-157.4-125.0 134.2 7.2 1.4 9.9 8 9 A E E +A 115 0A 116 -2,-0.4 2,-0.3 107,-0.2 107,-0.2 -0.863 16.2 169.8-109.9 143.4 9.6 2.9 7.4 9 10 A F E -A 114 0A 68 105,-1.5 105,-3.9 -2,-0.4 2,-0.5 -0.987 27.0-134.6-152.2 139.8 12.9 1.3 6.4 10 11 A T E +A 113 0A 98 -2,-0.3 2,-0.3 103,-0.3 103,-0.3 -0.810 31.5 170.2 -97.7 131.7 15.5 2.0 3.7 11 12 A S E -A 112 0A 7 101,-3.7 101,-2.0 -2,-0.5 134,-0.1 -0.847 33.2-100.2-132.8 170.8 16.8 -1.0 1.6 12 13 A D S S+ 0 0 88 -2,-0.3 -1,-0.1 99,-0.2 99,-0.1 -0.137 81.0 58.9 -80.6-175.7 19.0 -1.5 -1.5 13 14 A I S S- 0 0 42 97,-0.1 -2,-0.2 135,-0.1 2,-0.1 0.474 94.6 -78.6 67.4 139.3 17.6 -2.3 -5.0 14 15 A P > - 0 0 37 0, 0.0 4,-2.9 0, 0.0 5,-0.5 -0.346 44.9-104.0 -70.2 148.9 15.1 0.2 -6.7 15 16 A A H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.875 122.4 43.9 -37.5 -52.4 11.5 0.2 -5.6 16 17 A P H > S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.945 113.2 47.8 -64.9 -50.4 10.5 -1.7 -8.8 17 18 A K H > S+ 0 0 140 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.893 120.1 40.9 -60.8 -35.0 13.3 -4.3 -8.8 18 19 A L H X S+ 0 0 0 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.868 110.0 58.4 -80.6 -36.1 12.6 -4.9 -5.1 19 20 A F H X>S+ 0 0 4 -4,-2.8 4,-2.0 -5,-0.5 5,-0.6 0.953 108.7 45.0 -59.2 -48.3 8.8 -4.8 -5.5 20 21 A K H X>S+ 0 0 135 -4,-2.3 4,-2.1 1,-0.3 5,-1.7 0.978 118.0 41.7 -61.3 -54.3 8.9 -7.7 -8.1 21 22 A A H <5S+ 0 0 5 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.583 114.1 57.9 -70.2 -4.5 11.3 -9.9 -6.1 22 23 A F H <5S+ 0 0 31 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.800 129.3 6.5 -94.1 -32.8 9.2 -8.8 -3.0 23 24 A V H X5S+ 0 0 14 -4,-2.0 4,-0.6 -3,-0.4 -3,-0.2 0.697 134.7 46.9-117.3 -39.2 5.8 -10.1 -4.2 24 25 A L T < S+ 0 0 10 -6,-0.4 4,-3.1 3,-0.2 6,-0.2 0.922 78.4 58.6 -69.8 -41.1 8.1 -13.7 -2.4 27 28 A D H < S+ 0 0 37 -4,-0.6 14,-0.3 1,-0.2 -1,-0.2 0.852 123.0 26.1 -57.5 -30.6 6.4 -17.2 -2.8 28 29 A N H > S+ 0 0 101 -4,-0.2 4,-0.7 2,-0.1 -2,-0.2 0.783 127.3 45.4-101.3 -35.8 9.9 -18.5 -3.5 29 30 A L H X S+ 0 0 15 -4,-4.0 4,-2.3 2,-0.2 3,-0.4 0.904 104.2 63.3 -75.2 -39.7 12.0 -15.9 -1.6 30 31 A I H X S+ 0 0 78 -4,-3.1 4,-1.0 -5,-0.4 3,-0.4 0.951 110.1 39.1 -48.0 -55.0 9.8 -16.0 1.5 31 32 A P H 4 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.714 110.3 62.8 -69.3 -19.9 10.7 -19.7 2.1 32 33 A K H < S+ 0 0 135 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.1 0.883 100.2 51.2 -74.2 -36.3 14.3 -19.0 1.1 33 34 A I H < S+ 0 0 35 -4,-2.3 -1,-0.2 -3,-0.4 -3,-0.1 0.844 133.2 13.1 -70.1 -30.0 14.9 -16.6 4.0 34 35 A A S X S+ 0 0 39 -4,-1.0 4,-1.3 -5,-0.3 -1,-0.3 -0.482 72.1 152.0-146.8 72.2 13.5 -19.2 6.4 35 36 A P T 4 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.908 80.1 48.7 -69.7 -43.6 13.3 -22.7 4.8 36 37 A Q T 4 S+ 0 0 155 1,-0.2 23,-0.2 -4,-0.1 3,-0.1 0.763 105.0 63.0 -69.9 -20.6 13.8 -24.6 8.0 37 38 A A T 4 S+ 0 0 39 -6,-0.2 23,-0.4 1,-0.2 2,-0.3 0.936 117.8 16.2 -70.2 -43.9 11.1 -22.4 9.6 38 39 A V < - 0 0 20 -4,-1.3 20,-0.2 20,-0.2 -1,-0.2 -0.925 68.2-134.5-128.5 154.8 8.4 -23.6 7.2 39 40 A K S S- 0 0 170 18,-3.1 2,-0.2 -2,-0.3 -1,-0.1 0.942 79.7 -42.4 -73.9 -45.9 8.1 -26.6 4.9 40 41 A C E -B 57 0A 85 17,-0.5 17,-0.8 2,-0.0 2,-0.5 -0.816 51.4-117.6 178.6 139.1 6.8 -24.7 1.9 41 42 A A E -B 56 0A 31 -14,-0.3 2,-0.4 -2,-0.2 15,-0.2 -0.737 32.4-171.5 -89.4 128.9 4.2 -21.9 1.2 42 43 A E E -B 55 0A 128 13,-2.6 13,-3.7 -2,-0.5 2,-0.6 -0.933 15.9-141.3-120.9 144.2 1.3 -22.9 -1.0 43 44 A I E -B 54 0A 28 -2,-0.4 11,-0.3 11,-0.3 3,-0.1 -0.890 3.1-161.2-106.5 119.4 -1.4 -20.7 -2.6 44 45 A L E S- 0 0 92 9,-2.2 2,-0.3 -2,-0.6 -1,-0.2 0.942 76.0 -18.8 -63.3 -44.4 -4.9 -22.2 -2.7 45 46 A E E S+B 53 0A 145 8,-0.8 8,-1.7 4,-0.1 3,-0.3 -0.992 116.4 49.7-159.7 154.6 -6.0 -19.7 -5.4 46 47 A G S S- 0 0 45 -2,-0.3 6,-0.1 6,-0.2 8,-0.1 -0.175 77.0-131.6 106.1 -41.9 -4.9 -16.3 -6.8 47 48 A D S S- 0 0 132 6,-0.2 -1,-0.2 1,-0.2 -20,-0.1 0.905 85.5 -32.2 60.5 38.1 -1.2 -17.2 -7.3 48 49 A G S S+ 0 0 18 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.842 118.5 118.0 87.6 35.3 -0.1 -14.0 -5.6 49 50 A G S > S- 0 0 10 -4,-0.2 3,-1.3 1,-0.1 2,-0.3 -0.481 73.4 -51.4-119.1-167.6 -3.1 -11.9 -6.8 50 51 A P T 3 S+ 0 0 93 0, 0.0 22,-0.2 0, 0.0 23,-0.2 -0.486 125.7 8.1 -70.1 129.3 -6.1 -10.0 -5.1 51 52 A G T 3 S+ 0 0 34 20,-2.6 2,-0.2 -2,-0.3 21,-0.2 0.797 92.9 160.6 71.9 24.9 -8.0 -12.2 -2.6 52 53 A T < - 0 0 0 -3,-1.3 19,-1.7 19,-0.3 2,-0.5 -0.551 31.8-142.4 -80.1 144.6 -5.4 -14.9 -3.0 53 54 A I E -BC 45 70A 42 -8,-1.7 -9,-2.2 -2,-0.2 -8,-0.8 -0.913 16.0-168.9-110.7 128.6 -5.2 -17.5 -0.2 54 55 A K E -BC 43 69A 19 15,-3.2 15,-1.4 -2,-0.5 2,-0.4 -0.863 5.0-160.7-114.9 150.2 -1.8 -18.8 1.0 55 56 A K E -BC 42 68A 66 -13,-3.7 -13,-2.6 -2,-0.3 2,-0.4 -0.975 4.7-169.9-132.5 123.5 -1.2 -21.8 3.3 56 57 A I E -BC 41 67A 17 11,-3.0 11,-1.3 -2,-0.4 2,-0.5 -0.918 6.5-156.9-114.2 136.7 2.1 -22.4 5.2 57 58 A T E -BC 40 66A 54 -17,-0.8 -18,-3.1 -2,-0.4 -17,-0.5 -0.928 5.6-151.9-113.7 130.9 2.9 -25.6 7.1 58 59 A F - 0 0 55 7,-2.3 -20,-0.2 -2,-0.5 -21,-0.1 -0.851 12.8-175.4-102.5 131.3 5.5 -25.7 9.9 59 60 A G + 0 0 67 -2,-0.5 2,-0.2 -22,-0.3 -1,-0.1 0.348 66.3 71.9-103.9 6.2 7.4 -28.9 10.6 60 61 A E S S+ 0 0 109 -23,-0.4 2,-0.4 5,-0.1 -21,-0.1 -0.734 89.4 17.8-116.0 167.9 9.2 -27.6 13.7 61 62 A G S S+ 0 0 83 -2,-0.2 4,-0.1 2,-0.0 -2,-0.0 -0.596 117.8 25.5 76.2-126.4 7.9 -26.8 17.2 62 63 A S S S- 0 0 69 -2,-0.4 3,-0.0 2,-0.1 0, 0.0 -0.032 93.0-103.2 -61.0 174.8 4.5 -28.5 17.8 63 64 A H S S+ 0 0 195 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.881 102.5 13.8 -71.5 -35.2 3.7 -31.7 15.8 64 65 A Y S S+ 0 0 184 -7,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.853 70.0 134.5-133.5 170.7 1.4 -29.8 13.5 65 66 A G - 0 0 4 -2,-0.3 -7,-2.3 -4,-0.1 2,-0.3 -0.602 17.0-176.5 154.4 143.4 0.6 -26.1 12.7 66 67 A Y E -C 57 0A 79 -9,-0.2 2,-0.4 -2,-0.2 -9,-0.2 -0.971 13.0-147.8-161.0 144.0 0.0 -23.9 9.7 67 68 A V E -C 56 0A 12 -11,-1.3 -11,-3.0 -2,-0.3 2,-0.4 -0.918 12.1-150.2-117.3 142.3 -0.6 -20.2 9.0 68 69 A K E -C 55 0A 39 19,-3.3 18,-3.4 -2,-0.4 19,-0.4 -0.878 7.9-162.7-112.0 143.3 -2.7 -18.8 6.1 69 70 A H E -CD 54 85A 40 -15,-1.4 -15,-3.2 -2,-0.4 2,-0.4 -0.954 0.9-161.8-124.5 143.1 -2.1 -15.5 4.4 70 71 A K E -CD 53 84A 66 14,-3.8 14,-3.3 -2,-0.4 2,-0.4 -0.967 11.9-139.1-125.6 139.5 -4.6 -13.5 2.1 71 72 A I E - D 0 83A 0 -19,-1.7 -20,-2.6 -2,-0.4 -19,-0.3 -0.778 9.8-169.0 -96.9 138.0 -3.8 -10.7 -0.3 72 73 A H E - 0 0 85 10,-1.0 2,-0.3 -2,-0.4 -1,-0.2 0.903 65.8 -34.0 -90.5 -49.0 -6.1 -7.7 -0.5 73 74 A S E - D 0 82A 58 9,-0.7 9,-1.8 -23,-0.2 2,-0.4 -0.950 50.9-146.7-170.0 149.1 -4.8 -6.0 -3.7 74 75 A I E - D 0 81A 40 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.957 2.6-163.1-125.8 144.2 -1.5 -5.5 -5.6 75 76 A D E >> + D 0 80A 59 5,-3.0 5,-2.1 -2,-0.4 4,-0.5 -0.793 11.0 175.4-127.9 92.4 -0.4 -2.5 -7.6 76 77 A K T 45S+ 0 0 144 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.889 88.7 47.7 -63.4 -35.3 2.6 -3.2 -9.9 77 78 A V T 45S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.907 117.6 40.4 -72.9 -39.4 2.3 0.3 -11.4 78 79 A N T 45S- 0 0 102 2,-0.1 26,-0.2 -4,-0.0 -1,-0.2 0.406 105.5-130.7 -88.4 5.1 2.0 1.9 -8.0 79 80 A H T <5 + 0 0 66 -4,-0.5 25,-1.9 -3,-0.3 2,-0.4 0.925 63.2 135.0 47.7 46.5 4.7 -0.4 -6.6 80 81 A T E < -DE 75 103A 31 -5,-2.1 -5,-3.0 23,-0.2 2,-0.5 -0.984 36.2-171.1-129.1 132.2 2.4 -1.2 -3.7 81 82 A Y E -DE 74 102A 10 21,-2.0 21,-2.3 -2,-0.4 2,-0.4 -0.971 3.7-173.3-124.8 125.7 1.7 -4.6 -2.2 82 83 A S E +DE 73 101A 29 -9,-1.8 -10,-1.0 -2,-0.5 -9,-0.7 -0.931 14.4 153.2-118.5 140.6 -1.0 -5.2 0.4 83 84 A Y E -DE 71 100A 60 17,-2.3 17,-2.6 -2,-0.4 2,-0.3 -0.963 21.3-154.0-154.4 170.3 -1.7 -8.5 2.2 84 85 A S E -DE 70 99A 5 -14,-3.3 -14,-3.8 -2,-0.3 2,-0.5 -0.987 23.4-111.9-148.9 157.9 -3.1 -9.9 5.5 85 86 A L E -DE 69 98A 13 13,-2.2 13,-1.6 -2,-0.3 -16,-0.3 -0.783 25.2-176.3 -95.0 132.1 -2.7 -13.0 7.7 86 87 A I - 0 0 18 -18,-3.4 2,-0.3 -2,-0.5 -17,-0.2 0.918 64.1 -9.3 -89.8 -71.7 -5.7 -15.3 7.9 87 88 A E + 0 0 86 -19,-0.4 -19,-3.3 10,-0.1 -1,-0.3 -0.892 66.5 154.9-127.3 159.3 -4.8 -18.1 10.4 88 89 A G > - 0 0 10 -21,-0.3 4,-2.5 -2,-0.3 3,-0.4 -0.944 52.0-109.2-175.4 154.4 -1.6 -19.1 12.2 89 90 A D T 4 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.888 121.8 51.0 -62.2 -35.4 -0.3 -20.9 15.3 90 91 A A T 4 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -23,-0.0 0.783 110.4 50.8 -73.2 -23.8 0.8 -17.5 16.7 91 92 A L T > S+ 0 0 10 -3,-0.4 4,-1.8 3,-0.1 3,-0.3 0.946 84.4 174.1 -78.9 -49.5 -2.6 -16.1 16.0 92 93 A S T < - 0 0 74 -4,-2.5 3,-0.2 1,-0.2 -4,-0.1 0.018 58.7 -65.7 65.0 176.9 -4.7 -18.8 17.7 93 94 A E T 4 S+ 0 0 174 1,-0.2 -1,-0.2 -4,-0.1 30,-0.1 0.636 135.4 62.3 -76.0 -10.1 -8.5 -18.4 18.1 94 95 A N T 4 S+ 0 0 79 -3,-0.3 29,-1.5 28,-0.1 2,-0.5 0.848 97.5 60.9 -83.2 -34.2 -7.8 -15.4 20.4 95 96 A I E < S- F 0 122A 55 -4,-1.8 27,-0.2 -3,-0.2 3,-0.1 -0.790 77.5-148.2 -96.2 132.7 -6.1 -13.3 17.7 96 97 A E E - 0 0 79 25,-3.3 25,-0.4 -2,-0.5 -11,-0.1 -0.252 42.3 -61.7 -87.1-179.2 -8.1 -12.4 14.6 97 98 A K E - 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