==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 24-AUG-09 2WQL . COMPND 2 MOLECULE: MAJOR ALLERGEN DAU C 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DAUCUS CAROTA; . AUTHOR Z.MARKOVIC-HOUSLEY,A.BASLE,S.PADAVATTAN,K.HOFFMANN-SOMMERGRU . 608 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 77.3 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 . 204 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 50 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 8 4 4 4 0 0 4 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 4 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 3 A A 0 0 113 0, 0.0 118,-0.1 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 123.8 43.0 -19.1 74.4 2 4 A Q + 0 0 55 116,-0.4 116,-2.4 115,-0.1 2,-0.3 -0.162 360.0 175.3 -56.9 136.3 41.7 -18.8 70.9 3 5 A S E -A 117 0A 76 114,-0.2 2,-0.3 2,-0.0 114,-0.2 -0.928 17.3-172.6-142.6 165.9 43.3 -21.2 68.5 4 6 A H E -A 116 0A 47 112,-2.4 112,-3.1 -2,-0.3 2,-0.4 -0.990 9.8-148.8-156.3 146.3 43.1 -22.5 64.9 5 7 A S E -A 115 0A 72 -2,-0.3 2,-0.4 110,-0.2 110,-0.2 -0.947 5.3-167.4-125.6 151.8 44.7 -25.2 62.8 6 8 A L E -A 114 0A 31 108,-2.3 108,-2.8 -2,-0.4 2,-0.4 -0.999 3.8-166.2-132.6 131.2 45.6 -25.4 59.1 7 9 A E E -A 113 0A 116 -2,-0.4 2,-0.5 106,-0.2 106,-0.2 -0.969 2.5-169.8-119.8 133.1 46.5 -28.6 57.3 8 10 A I E -A 112 0A 14 104,-2.0 104,-2.6 -2,-0.4 2,-0.3 -0.983 10.0-150.0-125.6 124.2 48.1 -28.6 53.8 9 11 A T E +A 111 0A 96 -2,-0.5 2,-0.3 102,-0.2 102,-0.2 -0.665 18.5 176.4 -90.5 144.4 48.5 -31.8 51.8 10 12 A S E -A 110 0A 5 100,-2.3 100,-2.5 -2,-0.3 4,-0.1 -0.995 36.8-142.8-145.3 148.6 51.4 -32.2 49.3 11 13 A S S S+ 0 0 54 -2,-0.3 2,-0.2 98,-0.2 -1,-0.1 0.571 81.4 95.0 -83.4 -11.9 52.7 -35.0 47.0 12 14 A V S S- 0 0 15 1,-0.1 -2,-0.2 98,-0.1 98,-0.1 -0.528 88.7 -96.5 -77.4 148.7 56.2 -33.9 47.9 13 15 A S > - 0 0 50 -2,-0.2 4,-2.5 96,-0.1 97,-0.2 -0.192 25.6-115.7 -68.2 158.6 58.0 -35.7 50.7 14 16 A A H > S+ 0 0 8 95,-0.5 4,-2.3 1,-0.2 5,-0.2 0.881 113.9 51.1 -59.9 -46.8 58.1 -34.5 54.3 15 17 A E H > S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 113.5 45.4 -56.7 -45.8 61.9 -34.0 54.3 16 18 A K H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.904 112.3 49.4 -70.9 -42.3 61.8 -32.0 51.1 17 19 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.943 110.8 50.9 -60.8 -48.3 58.8 -29.8 52.1 18 20 A F H X>S+ 0 0 2 -4,-2.3 5,-1.5 1,-0.2 4,-1.4 0.848 108.0 52.5 -58.1 -37.7 60.5 -29.0 55.5 19 21 A S H <>S+ 0 0 28 -4,-1.6 5,-3.1 3,-0.2 -1,-0.2 0.876 114.5 43.5 -68.4 -33.8 63.7 -28.0 53.8 20 22 A G H <5S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.903 120.5 36.1 -77.6 -43.0 61.8 -25.6 51.5 21 23 A I H <5S+ 0 0 31 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.529 136.7 10.5 -96.3 -5.0 59.5 -24.0 53.9 22 24 A V T ><5S+ 0 0 13 -4,-1.4 3,-0.7 -5,-0.3 4,-0.3 0.520 125.0 39.8-127.7 -67.3 61.8 -23.9 57.0 23 25 A L T 3 > + 0 0 20 -3,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.801 67.8 59.7 -51.6 -37.6 63.3 -20.5 53.1 26 28 A D H 34 S+ 0 0 71 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.797 116.6 31.1 -68.6 -30.2 65.5 -17.4 52.9 27 29 A T H <> S+ 0 0 98 -3,-1.3 4,-0.6 2,-0.1 -1,-0.2 0.702 120.2 54.3 -94.0 -24.5 67.1 -18.4 49.5 28 30 A V H >X S+ 0 0 6 -4,-2.3 4,-2.8 -8,-0.2 3,-0.9 0.942 99.4 57.8 -74.4 -47.7 64.0 -20.3 48.3 29 31 A I H 3X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.3 7,-0.2 0.872 102.5 53.1 -57.8 -42.3 61.3 -17.6 48.6 30 32 A P H 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.839 118.0 38.4 -61.9 -28.9 63.1 -15.1 46.3 31 33 A K H << S+ 0 0 151 -3,-0.9 3,-0.3 -4,-0.6 -2,-0.2 0.804 125.3 38.3 -84.8 -32.5 63.3 -17.7 43.6 32 34 A A H < S+ 0 0 24 -4,-2.8 2,-0.3 1,-0.2 -3,-0.2 0.879 129.8 23.6 -88.4 -43.2 59.9 -19.3 44.2 33 35 A A S >X S- 0 0 17 -4,-2.7 3,-1.2 -5,-0.3 4,-0.6 -0.677 75.6-177.0-124.9 72.9 57.6 -16.3 45.1 34 36 A T T 34 S+ 0 0 78 -2,-0.3 -1,-0.1 -3,-0.3 3,-0.1 0.763 77.9 23.0 -55.6 -38.5 59.5 -13.5 43.4 35 37 A G T 34 S+ 0 0 18 1,-0.1 -1,-0.3 151,-0.0 152,-0.1 0.477 91.1 101.1-104.8 -3.5 57.4 -10.5 44.4 36 38 A A T <4 S+ 0 0 39 -3,-1.2 2,-0.4 -7,-0.2 -2,-0.1 0.890 84.4 44.6 -50.2 -48.2 55.6 -11.8 47.5 37 39 A Y < - 0 0 63 -4,-0.6 19,-0.2 1,-0.1 3,-0.1 -0.780 58.4-162.5-100.4 141.1 58.0 -9.9 49.8 38 40 A K S S- 0 0 130 17,-2.7 2,-0.3 1,-0.4 18,-0.2 0.866 80.1 -21.7 -78.6 -43.0 59.1 -6.3 49.5 39 41 A S E -B 55 0A 52 16,-1.7 16,-2.2 2,-0.0 -1,-0.4 -0.980 53.0-153.7-161.8 158.2 62.0 -7.0 51.9 40 42 A V E -B 54 0A 59 -2,-0.3 2,-0.6 14,-0.2 14,-0.2 -0.970 3.0-163.6-138.9 120.8 63.3 -9.3 54.7 41 43 A E E -B 53 0A 115 12,-2.3 12,-2.6 -2,-0.4 2,-0.5 -0.943 15.1-163.5 -99.5 121.1 65.7 -8.4 57.5 42 44 A V E -B 52 0A 59 -2,-0.6 2,-0.6 10,-0.2 10,-0.2 -0.937 9.5-172.3-108.6 120.3 67.1 -11.6 59.1 43 45 A K E +B 51 0A 145 8,-2.7 8,-2.0 -2,-0.5 2,-0.2 -0.911 60.6 13.5-112.5 100.5 68.8 -11.4 62.5 44 46 A G S S- 0 0 55 -2,-0.6 5,-0.1 6,-0.2 4,-0.1 -0.607 92.3 -74.5 123.4 177.3 70.3 -14.8 63.3 45 47 A D S S- 0 0 146 -2,-0.2 -1,-0.1 3,-0.2 3,-0.1 0.415 73.1 -91.8 -94.3 -1.9 71.1 -18.2 61.7 46 48 A G S S+ 0 0 22 1,-0.4 3,-0.1 -3,-0.1 2,-0.1 0.159 96.5 101.3 108.5 -17.9 67.6 -19.7 61.4 47 49 A G S > S- 0 0 21 1,-0.2 3,-2.1 2,-0.0 -1,-0.4 -0.188 88.0 -38.4 -87.5-173.5 67.7 -21.5 64.7 48 50 A A T 3 S+ 0 0 72 1,-0.3 -1,-0.2 24,-0.1 22,-0.2 -0.109 129.1 29.1 -50.3 138.6 66.0 -20.5 68.0 49 51 A G T 3 S+ 0 0 53 20,-2.8 -1,-0.3 1,-0.3 21,-0.1 0.192 83.9 138.2 94.0 -14.4 66.2 -16.8 68.7 50 52 A T < - 0 0 2 -3,-2.1 19,-3.0 19,-0.2 2,-0.4 -0.391 35.7-162.1 -64.5 138.8 66.2 -15.8 65.0 51 53 A V E -BC 43 68A 38 -8,-2.0 -8,-2.7 17,-0.2 2,-0.5 -0.991 5.3-163.8-129.7 126.9 64.0 -12.8 64.2 52 54 A R E -BC 42 67A 24 15,-2.7 15,-2.5 -2,-0.4 2,-0.7 -0.949 7.6-157.3-113.6 125.4 62.8 -11.8 60.8 53 55 A I E -BC 41 66A 57 -12,-2.6 -12,-2.3 -2,-0.5 2,-0.4 -0.891 22.2-168.7 -98.9 108.0 61.4 -8.4 60.0 54 56 A I E -BC 40 65A 9 11,-3.1 11,-2.3 -2,-0.7 2,-0.4 -0.814 11.0-170.2-106.8 137.9 59.2 -8.9 56.9 55 57 A T E -BC 39 64A 36 -16,-2.2 -17,-2.7 -2,-0.4 -16,-1.7 -0.994 5.7-160.3-129.2 125.0 57.6 -6.1 54.7 56 58 A L - 0 0 15 7,-2.5 -19,-0.1 -2,-0.4 -20,-0.1 -0.562 41.9 -66.3 -97.6 165.9 55.0 -6.7 52.0 57 59 A P > - 0 0 31 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 -0.036 55.2 -97.0 -56.7 159.7 54.2 -4.3 49.1 58 60 A E T 3 S+ 0 0 171 1,-0.3 -2,-0.1 -3,-0.1 5,-0.0 0.786 116.8 40.5 -48.3 -50.0 52.6 -0.9 49.7 59 61 A G T 3 S+ 0 0 80 4,-0.0 -1,-0.3 3,-0.0 4,-0.1 0.683 84.8 125.7 -74.3 -19.4 48.9 -1.7 49.1 60 62 A S < - 0 0 32 -3,-1.4 3,-0.1 1,-0.1 -4,-0.1 0.086 68.5-124.0 -54.8 150.0 48.7 -5.1 50.8 61 63 A P S S+ 0 0 80 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.867 109.5 36.1 -60.4 -38.5 46.1 -5.8 53.6 62 64 A I + 0 0 25 1,-0.1 -2,-0.1 -5,-0.1 3,-0.1 -0.988 69.6 172.2-110.4 119.1 49.0 -6.8 55.9 63 65 A T + 0 0 44 -2,-0.5 -7,-2.5 1,-0.2 2,-0.3 0.734 61.2 25.6 -97.8 -27.5 52.1 -4.6 55.3 64 66 A T E +C 55 0A 49 -9,-0.2 24,-1.3 2,-0.0 23,-0.3 -0.999 53.6 168.1-143.8 138.0 54.5 -5.6 58.1 65 67 A M E -C 54 0A 30 -11,-2.3 -11,-3.1 -2,-0.3 2,-0.5 -0.977 17.5-155.7-148.2 141.0 55.2 -8.6 60.4 66 68 A T E -CD 53 85A 20 19,-2.3 18,-2.5 -2,-0.3 19,-1.1 -0.975 18.5-169.7-114.6 122.4 58.0 -9.5 62.8 67 69 A V E -CD 52 83A 24 -15,-2.5 -15,-2.7 -2,-0.5 2,-0.4 -0.962 8.1-158.6-123.8 125.3 58.4 -13.2 63.4 68 70 A R E -CD 51 82A 91 14,-2.9 14,-2.6 -2,-0.5 2,-0.6 -0.822 16.8-133.9 -99.7 136.3 60.6 -14.9 66.0 69 71 A T E + D 0 81A 1 -19,-3.0 -20,-2.8 -2,-0.4 12,-0.3 -0.838 23.4 178.6 -86.9 121.7 61.8 -18.5 65.7 70 72 A D E - 0 0 57 10,-2.0 2,-0.3 -2,-0.6 11,-0.2 0.777 64.3 -6.2 -91.1 -34.7 61.2 -20.3 69.1 71 73 A A E - D 0 80A 35 9,-1.8 9,-2.5 -24,-0.1 2,-0.4 -0.976 51.2-164.6-163.7 144.0 62.5 -23.8 68.1 72 74 A V E - D 0 79A 42 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.998 2.4-174.1-132.6 132.5 63.6 -25.9 65.1 73 75 A N E >> - D 0 78A 75 5,-2.4 5,-1.6 -2,-0.4 4,-1.1 -0.887 0.9-177.0-127.5 100.0 63.9 -29.7 65.0 74 76 A K T 45S+ 0 0 142 -2,-0.5 -1,-0.1 1,-0.2 -51,-0.1 0.809 83.8 48.2 -65.4 -33.3 65.5 -30.8 61.8 75 77 A E T 45S+ 0 0 178 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.861 117.9 38.9 -78.4 -37.4 65.1 -34.5 62.6 76 78 A A T 45S- 0 0 54 2,-0.1 26,-0.2 27,-0.0 -2,-0.2 0.550 103.5-127.6 -88.9 -8.3 61.5 -34.3 63.7 77 79 A L T <5 + 0 0 21 -4,-1.1 25,-2.5 1,-0.2 2,-0.3 0.907 61.4 137.6 56.1 47.4 60.5 -31.8 60.9 78 80 A S E < -DE 73 101A 29 -5,-1.6 -5,-2.4 23,-0.2 2,-0.3 -0.915 31.9-173.4-120.5 153.1 58.9 -29.4 63.4 79 81 A Y E -DE 72 100A 29 21,-2.5 21,-3.1 -2,-0.3 2,-0.4 -0.984 4.1-167.2-147.5 128.3 59.1 -25.6 63.6 80 82 A D E +DE 71 99A 36 -9,-2.5 -10,-2.0 -2,-0.3 -9,-1.8 -0.977 18.8 159.0-120.1 133.7 57.8 -23.3 66.3 81 83 A S E -DE 69 98A 13 17,-1.8 17,-2.8 -2,-0.4 2,-0.4 -0.990 25.1-143.6-154.6 156.2 57.6 -19.5 65.8 82 84 A T E -DE 68 97A 7 -14,-2.6 -14,-2.9 -2,-0.3 2,-0.6 -0.979 12.8-138.8-129.7 130.7 55.8 -16.4 67.1 83 85 A V E +DE 67 96A 15 13,-2.5 13,-2.0 -2,-0.4 -16,-0.2 -0.800 31.7 166.7 -85.4 121.8 54.5 -13.3 65.4 84 86 A I E + 0 0 62 -18,-2.5 2,-0.3 -2,-0.6 -17,-0.1 0.555 52.9 14.5-117.8 -13.4 55.4 -10.5 67.8 85 87 A D E S+D 66 0A 101 -19,-1.1 -19,-2.3 0, 0.0 -1,-0.2 -0.972 74.0 77.9-156.3 163.7 55.0 -7.2 65.9 86 88 A G S > S- 0 0 14 -2,-0.3 3,-1.9 -21,-0.2 -21,-0.2 -0.301 84.3 -72.5 118.5 165.7 53.5 -5.6 62.8 87 89 A D G > S+ 0 0 61 -23,-0.3 3,-1.7 1,-0.3 -22,-0.1 0.617 117.2 81.7 -70.1 -10.0 50.1 -4.5 61.5 88 90 A I G 3 S+ 0 0 30 -24,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.763 83.3 62.6 -56.5 -28.9 49.3 -8.2 61.2 89 91 A L G X> S- 0 0 16 -3,-1.9 4,-2.4 1,-0.2 3,-0.9 0.414 96.1-154.3 -78.9 3.6 48.5 -7.9 65.0 90 92 A L T <4 - 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