==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 23-OCT-09 2KPY . COMPND 2 MOLECULE: MAJOR POLLEN ALLERGEN ART V 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTEMISIA VULGARIS; . AUTHOR G.RAZZERA,G.GADERMAIER,M.ALMEIDA,M.EGGER,B.JAHN-SCHMID,F.ALM . 108 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 37.0 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 . 15 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 10 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 0 0 0 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 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 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 A 0 0 155 0, 0.0 2,-0.1 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 -57.4 2.1 -0.0 -1.2 2 2 A G + 0 0 24 1,-0.1 2,-0.1 51,-0.0 52,-0.0 -0.370 360.0 156.0 146.1 134.0 5.6 -0.5 0.2 3 3 A S + 0 0 64 52,-0.2 2,-0.3 51,-0.1 51,-0.2 -0.463 35.0 88.3 178.6 101.5 8.3 1.5 2.1 4 4 A K E -A 53 0A 103 49,-2.1 49,-2.0 -2,-0.1 51,-0.5 -0.955 65.5 -76.1-174.7-171.5 11.0 0.1 4.2 5 5 A L E -A 52 0A 29 56,-0.9 2,-0.5 55,-0.5 47,-0.2 -0.879 30.8-155.3-112.4 143.0 14.6 -1.3 4.3 6 6 A a E -A 51 0A 43 45,-2.7 45,-2.2 -2,-0.4 2,-0.4 -0.968 9.7-173.4-121.0 127.2 15.8 -4.7 3.2 7 7 A E E -A 50 0A 29 -2,-0.5 2,-0.3 56,-0.3 43,-0.2 -0.957 9.6-150.6-122.0 137.4 18.9 -6.4 4.5 8 8 A K E -A 49 0A 7 41,-1.8 41,-2.2 -2,-0.4 2,-0.2 -0.782 6.4-154.3-106.0 149.7 20.5 -9.6 3.3 9 9 A T E -A 48 0A 55 -2,-0.3 39,-0.2 39,-0.2 4,-0.0 -0.519 67.6 -71.6-120.3 63.3 22.6 -12.1 5.3 10 10 A S S S+ 0 0 35 37,-1.0 4,-0.3 -2,-0.2 3,-0.1 0.909 77.8 156.1 51.1 47.1 24.8 -13.8 2.7 11 11 A K S S+ 0 0 161 1,-0.2 -1,-0.1 36,-0.1 -3,-0.0 0.484 85.1 6.4 -80.1 -2.5 21.7 -15.6 1.4 12 12 A T S S+ 0 0 59 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.124 100.3 104.6-166.7 27.6 23.6 -16.0 -2.0 13 13 A Y + 0 0 12 -3,-0.1 -2,-0.1 34,-0.1 -3,-0.1 0.940 45.5 159.2 -81.0 -53.1 27.1 -14.7 -1.4 14 14 A S + 0 0 93 -4,-0.3 -2,-0.1 1,-0.1 -3,-0.0 0.086 29.8 75.7 53.9-174.0 29.0 -18.0 -1.2 15 15 A G S S- 0 0 56 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 0.197 96.3 -37.6 61.1 170.3 32.7 -18.1 -1.8 16 16 A K S S- 0 0 192 1,-0.1 2,-0.6 -3,-0.0 0, 0.0 0.076 70.0 -98.6 -54.0 173.1 35.4 -16.9 0.7 17 17 A b + 0 0 28 4,-0.0 2,-0.2 20,-0.0 -1,-0.1 -0.888 54.7 154.8-105.0 114.3 34.8 -13.9 2.9 18 18 A D - 0 0 74 -2,-0.6 58,-0.1 1,-0.2 60,-0.1 -0.500 43.8-117.5-121.8-168.7 36.4 -10.7 1.7 19 19 A N S > S+ 0 0 55 58,-0.4 4,-1.5 -2,-0.2 3,-0.2 0.867 106.2 23.1 -97.3 -74.3 35.9 -6.9 2.0 20 20 A K H > S+ 0 0 130 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.844 122.1 59.7 -63.7 -34.1 35.1 -5.3 -1.3 21 21 A K H > S+ 0 0 84 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.904 102.2 52.3 -61.1 -42.7 33.9 -8.7 -2.6 22 22 A c H > S+ 0 0 0 2,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.920 117.0 38.3 -60.1 -45.9 31.2 -8.9 0.1 23 23 A D H X S+ 0 0 38 -4,-1.5 4,-2.3 12,-0.3 3,-0.3 0.966 119.4 45.5 -70.0 -55.1 29.9 -5.4 -0.9 24 24 A K H X S+ 0 0 85 -4,-3.4 4,-2.1 1,-0.3 5,-0.2 0.927 113.9 49.7 -54.2 -49.1 30.3 -5.8 -4.6 25 25 A K H X>S+ 0 0 47 -4,-3.0 4,-2.1 -5,-0.3 5,-0.6 0.817 109.4 54.2 -60.7 -30.8 28.8 -9.2 -4.6 26 26 A d H X5S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.3 6,-1.5 0.908 114.1 38.5 -70.2 -43.2 25.9 -7.8 -2.6 27 27 A I H <5S+ 0 0 62 -4,-2.3 -2,-0.2 4,-0.4 -1,-0.2 0.691 120.5 47.8 -80.0 -19.8 25.2 -5.1 -5.1 28 28 A E H <5S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.760 130.0 20.1 -89.8 -29.5 25.9 -7.5 -8.0 29 29 A W H <5S+ 0 0 139 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.811 144.4 21.4-104.7 -49.6 23.7 -10.3 -6.6 30 30 A E S < +B 44 0A 158 4,-1.8 4,-1.7 -2,-0.5 -2,-0.1 -0.972 35.2 62.4-178.9 173.2 32.0 -15.8 14.1 41 41 A E T >4 S- 0 0 118 -2,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.947 127.9 -13.1 56.0 94.5 30.1 -18.8 15.2 42 42 A A T 34 S- 0 0 96 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.747 127.5 -63.4 57.0 23.3 32.3 -21.9 14.6 43 43 A G T 34 S+ 0 0 43 1,-0.2 2,-0.6 -4,-0.0 -1,-0.3 0.805 93.4 156.1 72.4 29.3 34.5 -19.6 12.5 44 44 A K E << - B 0 40A 133 -4,-1.7 -4,-1.8 -3,-1.6 2,-0.5 -0.799 36.1-141.1 -94.0 123.4 31.7 -19.0 10.0 45 45 A E E - B 0 39A 105 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.3 -0.703 19.0-166.2 -86.2 127.4 31.9 -15.7 8.0 46 46 A S E - B 0 38A 45 -8,-3.1 -8,-2.0 -2,-0.5 2,-0.6 -0.884 11.5-144.4-115.8 145.9 28.6 -14.0 7.4 47 47 A c E - B 0 37A 1 -2,-0.4 -37,-1.0 -10,-0.2 2,-0.5 -0.935 15.2-173.2-113.4 118.0 27.8 -11.1 5.0 48 48 A F E +AB 9 36A 35 -12,-2.0 -12,-1.8 -2,-0.6 2,-0.3 -0.941 8.1 173.8-114.2 122.4 25.3 -8.5 6.0 49 49 A d E -AB 8 35A 0 -41,-2.2 -41,-1.8 -2,-0.5 2,-0.4 -0.946 15.3-153.8-127.9 148.3 24.2 -5.8 3.6 50 50 A Y E +AB 7 34A 74 -16,-2.6 -16,-1.7 -2,-0.3 -17,-1.0 -0.972 18.2 165.2-124.9 136.1 21.5 -3.1 3.8 51 51 A F E -A 6 0A 45 -45,-2.2 -45,-2.7 -2,-0.4 2,-0.3 -0.996 40.9-103.2-150.1 142.6 19.6 -1.5 0.9 52 52 A D E -A 5 0A 83 -2,-0.3 2,-0.3 -47,-0.2 -47,-0.2 -0.479 43.1-174.3 -67.8 126.2 16.5 0.7 0.6 53 53 A a E > -A 4 0A 15 -49,-2.0 2,-2.9 -2,-0.3 -49,-2.1 -0.926 56.8 -5.7-125.2 149.7 13.5 -1.3 -0.7 54 54 A S T 3 S- 0 0 80 -2,-0.3 -51,-0.1 1,-0.3 -49,-0.1 -0.376 135.8 -35.8 71.1 -69.2 10.0 -0.3 -1.6 55 55 A K T 3 S- 0 0 138 -2,-2.9 -1,-0.3 -51,-0.5 -52,-0.2 0.379 72.7-135.9-152.8 -36.4 10.5 3.3 -0.6 56 56 A S < - 0 0 39 -3,-1.1 -51,-0.1 -52,-0.2 -2,-0.1 0.974 23.9-140.1 64.5 87.4 12.7 3.4 2.5 57 57 A P > - 0 0 45 0, 0.0 3,-1.6 0, 0.0 -2,-0.0 -0.090 27.1 -97.0 -69.7 172.6 11.2 5.9 4.9 58 58 A P T 3 S+ 0 0 149 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.518 123.2 60.5 -69.7 -4.2 13.1 8.4 7.1 59 59 A G T 3 S- 0 0 49 1,-0.2 2,-1.8 2,-0.1 -3,-0.0 0.457 86.4-157.4-101.8 -3.5 12.8 5.9 9.9 60 60 A A < + 0 0 38 -3,-1.6 -55,-0.5 1,-0.2 -1,-0.2 -0.423 17.3 176.5 65.0 -86.0 14.7 3.1 8.1 61 61 A T - 0 0 87 -2,-1.8 -56,-0.9 -57,-0.1 -1,-0.2 0.961 18.7-166.1 47.0 68.6 13.3 0.2 10.1 62 62 A P - 0 0 49 0, 0.0 -56,-0.2 0, 0.0 -12,-0.0 0.114 28.7 -99.6 -69.7-170.9 15.0 -2.6 8.2 63 63 A A + 0 0 59 -58,-0.2 -56,-0.3 -59,-0.0 -2,-0.0 -0.594 51.5 174.0-117.0 69.1 14.2 -6.3 8.3 64 64 A P - 0 0 50 0, 0.0 -55,-0.0 0, 0.0 -56,-0.0 -0.146 41.6-113.6 -69.8 167.7 16.9 -7.7 10.6 65 65 A P S S- 0 0 110 0, 0.0 -56,-0.0 0, 0.0 0, 0.0 0.905 103.6 -14.3 -69.7 -43.8 17.0 -11.4 11.8 66 66 A G S S- 0 0 60 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.164 97.8 -96.2-147.8 19.0 16.3 -10.5 15.5 67 67 A A S S+ 0 0 78 1,-0.1 -4,-0.0 0, 0.0 0, 0.0 0.910 96.0 107.1 63.4 43.7 16.8 -6.8 15.8 68 68 A A - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.488 47.0-178.2-152.9 74.1 20.4 -7.2 17.0 69 69 A P - 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.146 35.2 -85.3 -69.7 167.7 23.1 -6.3 14.4 70 70 A P - 0 0 50 0, 0.0 -32,-0.0 0, 0.0 0, 0.0 -0.145 49.1 -93.7 -69.7 167.7 26.8 -6.5 15.0 71 71 A P - 0 0 103 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.098 50.5 -80.9 -69.8-172.1 29.0 -3.9 16.6 72 72 A A - 0 0 105 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.748 68.5-176.2 -65.3 -23.4 31.0 -1.1 14.9 73 73 A A - 0 0 77 1,-0.1 -1,-0.1 2,-0.0 -35,-0.0 0.067 21.3-147.5 52.1-169.8 33.7 -3.7 14.2 74 74 A G + 0 0 79 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.216 55.5 103.1 174.0 39.2 36.9 -2.6 12.5 75 75 A G + 0 0 62 -38,-0.2 -37,-0.1 2,-0.1 -56,-0.1 0.728 18.2 149.5 -96.5 -99.9 38.3 -5.3 10.2 76 76 A S - 0 0 77 -39,-0.3 2,-0.1 1,-0.1 -57,-0.1 0.996 40.9-148.7 59.2 68.7 37.9 -5.1 6.5 77 77 A P + 0 0 85 0, 0.0 -58,-0.4 0, 0.0 -1,-0.1 -0.402 35.7 148.0 -69.7 142.3 41.1 -7.0 5.5 78 78 A S - 0 0 89 -2,-0.1 3,-0.1 -59,-0.1 -60,-0.0 -0.236 20.5-173.6-176.3 73.3 42.8 -6.0 2.2 79 79 A P - 0 0 107 0, 0.0 2,-1.0 0, 0.0 0, 0.0 -0.146 45.9 -75.3 -69.8 167.7 46.6 -6.3 2.1 80 80 A P S S+ 0 0 138 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.530 75.8 140.6 -69.7 100.7 48.8 -5.1 -0.8 81 81 A A + 0 0 72 -2,-1.0 0, 0.0 1,-0.3 0, 0.0 -0.971 41.4 28.4-142.5 156.2 48.3 -7.7 -3.5 82 82 A D + 0 0 168 -2,-0.3 -1,-0.3 1,-0.1 0, 0.0 0.954 54.8 157.3 58.0 93.1 47.9 -7.8 -7.3 83 83 A G S S- 0 0 68 -3,-0.1 -1,-0.1 24,-0.0 24,-0.0 -0.065 70.3 -59.0-137.6 35.5 49.8 -4.8 -8.7 84 84 A G S S+ 0 0 58 1,-0.1 22,-0.1 22,-0.0 -2,-0.0 0.880 76.3 142.4 86.0 90.9 50.6 -5.8 -12.3 85 85 A S + 0 0 79 20,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.373 22.2 179.6-160.5 69.7 52.7 -9.0 -12.7 86 86 A P - 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.146 36.2 -85.2 -69.7 167.7 51.6 -11.1 -15.7 87 87 A P - 0 0 111 0, 0.0 3,-0.1 0, 0.0 13,-0.0 -0.146 52.6 -85.2 -69.7 167.7 53.3 -14.4 -16.7 88 88 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 11,-0.0 -0.145 57.5 -75.1 -69.7 167.7 56.4 -14.7 -18.9 89 89 A P - 0 0 113 0, 0.0 2,-1.0 0, 0.0 11,-0.2 -0.529 46.7-122.8 -69.8 116.0 56.4 -14.8 -22.8 90 90 A A + 0 0 109 -2,-0.5 9,-0.0 1,-0.2 0, 0.0 -0.437 42.4 165.6 -62.7 98.6 55.2 -18.1 -24.0 91 91 A D - 0 0 158 -2,-1.0 -1,-0.2 0, 0.0 8,-0.0 0.940 39.6-124.8 -80.9 -53.2 58.1 -19.2 -26.2 92 92 A G + 0 0 71 3,-0.0 7,-0.0 0, 0.0 -2,-0.0 0.439 34.2 176.6 107.2 115.2 57.3 -22.9 -26.6 93 93 A G - 0 0 44 5,-0.0 6,-0.0 6,-0.0 0, 0.0 0.749 19.0-149.9-109.1 -79.1 59.4 -25.9 -25.8 94 94 A S S S+ 0 0 112 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.975 99.8 43.4 55.9 86.9 57.8 -29.3 -26.3 95 95 A P S S- 0 0 109 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.551 117.6-118.6 -69.8 161.9 59.1 -31.0 -24.4 96 96 A P - 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.416 24.3-169.6 -69.8 140.4 58.7 -28.2 -21.7 97 97 A V - 0 0 119 -2,-0.1 2,-2.8 1,-0.1 0, 0.0 -0.116 44.5-111.3-121.6 34.5 61.9 -26.8 -20.2 98 98 A D - 0 0 171 2,-0.0 -1,-0.1 3,-0.0 2,-0.0 -0.389 50.3-164.4 72.1 -69.4 60.4 -24.8 -17.3 99 99 A G + 0 0 42 -2,-2.8 2,-1.0 1,-0.1 -9,-0.1 -0.257 47.7 89.7 82.9-174.0 61.3 -21.5 -18.9 100 100 A G + 0 0 56 -11,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.734 47.2 166.1 90.2 -99.8 61.4 -18.1 -17.2 101 101 A S - 0 0 105 -2,-1.0 -1,-0.1 0, 0.0 -3,-0.0 0.302 33.0 -13.6 63.1 160.6 64.8 -17.6 -15.7 102 102 A P S S+ 0 0 107 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.136 85.6 70.5 -69.8 168.6 66.2 -14.2 -14.5 103 103 A P S S- 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.570 84.3-120.5 -69.8 167.7 66.1 -11.4 -14.3 104 104 A P - 0 0 99 0, 0.0 4,-0.1 0, 0.0 -4,-0.0 -0.146 29.8 -93.0 -69.8 167.8 63.1 -11.4 -12.0 105 105 A P - 0 0 106 0, 0.0 -20,-0.1 0, 0.0 0, 0.0 0.079 53.2 -72.7 -69.8-173.5 59.7 -9.7 -12.8 106 106 A S S S+ 0 0 92 -22,-0.1 -22,-0.0 2,-0.0 0, 0.0 -0.116 97.6 54.6 -75.9 178.0 58.7 -6.2 -11.7 107 107 A T 0 0 103 -24,-0.0 -24,-0.0 0, 0.0 -23,-0.0 0.939 360.0 360.0 58.6 96.6 57.7 -5.1 -8.2 108 108 A H 0 0 224 -4,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.107 360.0 360.0 -76.1 360.0 60.6 -6.0 -5.8