==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 16-MAY-12 4AUD . COMPND 2 MOLECULE: MAJOR ALLERGEN ALT A 1 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ALTERNARIA ALTERNATA; . AUTHOR A.E.MECHALY,A.IBANEZ DE OPAKUA,J.ASTURIAS,A.R.VIGUERA . 246 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 60.6 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 . 107 43.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 2 0.8 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 . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 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 3 1 4 2 4 4 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 0 0 2 2 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 7 A T 0 0 139 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 72.9 64.6 76.5 65.4 2 8 A E + 0 0 131 31,-0.1 2,-0.2 112,-0.0 31,-0.1 -0.769 360.0 131.5-121.8 164.6 62.7 78.8 62.9 3 9 A G > - 0 0 2 3,-0.3 3,-1.2 -2,-0.2 29,-0.4 -0.839 59.7 -97.7 163.8 162.0 63.4 81.9 60.7 4 10 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 29,-0.1 0.802 125.7 36.1 -67.8 -29.6 63.0 83.6 57.3 5 11 A Y T 3 S+ 0 0 96 -3,-0.1 112,-2.2 112,-0.1 2,-0.5 -0.112 96.8 102.0-116.5 34.4 66.6 82.6 56.4 6 12 A V E < -A 116 0A 12 -3,-1.2 2,-0.4 110,-0.2 26,-0.3 -0.984 50.0-174.1-115.0 127.1 66.6 79.2 58.1 7 13 A W E -A 115 0A 24 108,-1.9 108,-2.7 -2,-0.5 2,-0.5 -0.935 21.9-130.4-121.5 147.5 66.2 76.1 56.0 8 14 A K E -AB 114 30A 56 22,-2.3 22,-2.2 -2,-0.4 2,-0.5 -0.809 17.5-160.2 -93.3 126.5 65.7 72.5 56.7 9 15 A I E +AB 113 29A 0 104,-3.2 104,-2.7 -2,-0.5 2,-0.3 -0.934 30.8 141.2-102.2 129.7 68.0 70.1 54.8 10 16 A S E + B 0 28A 10 18,-1.9 18,-3.2 -2,-0.5 102,-0.1 -0.872 35.8 54.2-153.2 179.9 66.7 66.6 54.7 11 17 A E E - 0 0 124 -2,-0.3 -1,-0.1 16,-0.2 2,-0.1 0.814 65.4-170.3 53.8 38.9 66.4 63.5 52.4 12 18 A F E + 0 0 8 99,-0.2 97,-2.1 15,-0.1 2,-0.3 -0.386 7.7 178.2 -58.6 136.0 70.1 63.4 51.6 13 19 A Y E +CB 108 26A 87 13,-2.8 13,-1.8 95,-0.2 2,-0.3 -0.974 9.8 163.0-149.2 126.2 70.9 60.8 48.8 14 20 A G E -CB 107 25A 0 93,-1.8 93,-2.7 -2,-0.3 2,-0.4 -0.961 23.4-142.1-138.6 157.5 74.0 59.8 47.1 15 21 A R E -CB 106 24A 52 9,-1.8 8,-2.1 -2,-0.3 9,-0.7 -0.989 5.7-168.3-122.3 126.0 75.2 56.9 44.9 16 22 A K E > -C 105 0A 46 89,-2.6 89,-2.7 -2,-0.4 3,-1.0 -0.881 7.7-171.7-107.3 94.1 78.6 55.3 45.0 17 23 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 86,-0.1 0.820 91.4 23.5 -62.1 -33.3 78.6 53.1 41.9 18 24 A E T 3 S- 0 0 84 3,-0.4 86,-0.2 86,-0.1 4,-0.1 0.160 120.4-103.4-110.2 13.5 81.9 51.4 42.9 19 25 A G S < S+ 0 0 25 -3,-1.0 3,-0.1 2,-0.3 85,-0.1 0.756 104.2 68.7 76.6 23.2 81.4 52.3 46.5 20 26 A T S S+ 0 0 80 1,-0.6 -1,-0.1 85,-0.1 2,-0.1 0.340 90.4 30.4-130.5 -92.2 83.9 55.1 46.5 21 27 A Y S S- 0 0 52 1,-0.1 -1,-0.6 -5,-0.0 -3,-0.4 -0.408 79.4-115.4 -69.8 154.0 83.2 58.4 44.6 22 28 A Y - 0 0 9 26,-0.3 26,-3.1 -6,-0.2 -6,-0.2 -0.679 24.9-177.9 -82.1 143.7 79.6 59.7 44.2 23 29 A N S S+ 0 0 50 -8,-2.1 22,-1.1 1,-0.3 2,-0.3 0.203 78.8 30.7-119.3 5.6 78.2 59.9 40.7 24 30 A S E +BD 15 44A 25 -9,-0.7 -9,-1.8 20,-0.2 -1,-0.3 -0.940 64.9 173.2-161.3 137.6 75.0 61.3 42.1 25 31 A L E +BD 14 43A 8 18,-2.5 18,-2.8 -2,-0.3 2,-0.3 -0.990 10.3 146.1-150.3 146.4 74.1 63.6 45.1 26 32 A G E +BD 13 42A 7 -13,-1.8 -13,-2.8 -2,-0.3 2,-0.3 -0.993 13.1 176.3-172.2 161.8 71.0 65.3 46.3 27 33 A F E - D 0 41A 6 14,-2.3 14,-2.0 -2,-0.3 2,-0.4 -0.959 30.6-102.3-163.0 174.5 68.9 66.6 49.2 28 34 A N E -BD 10 40A 2 -18,-3.2 -18,-1.9 -2,-0.3 2,-0.5 -0.861 19.9-156.4-113.0 143.8 65.8 68.5 49.9 29 35 A I E +BD 9 39A 1 10,-3.5 10,-3.0 -2,-0.4 2,-0.3 -0.980 15.7 179.9-119.5 122.3 65.4 72.1 51.1 30 36 A K E -BD 8 38A 64 -22,-2.2 -22,-2.3 -2,-0.5 8,-0.3 -0.906 28.8-113.5-117.0 150.7 62.3 73.3 53.0 31 37 A A - 0 0 25 6,-2.9 -24,-0.1 -2,-0.3 -27,-0.1 -0.215 19.7-161.5 -65.0 171.1 61.1 76.6 54.5 32 38 A T S S+ 0 0 37 -29,-0.4 -28,-0.1 -26,-0.3 -1,-0.1 0.553 76.4 59.8-135.8 -20.4 60.8 76.7 58.2 33 39 A N S S- 0 0 61 -30,-0.3 3,-0.1 -27,-0.2 -29,-0.1 -0.129 127.0 -76.8-110.2 31.0 58.6 79.7 59.0 34 40 A G S S+ 0 0 81 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.568 91.0 142.6 80.6 5.6 55.5 78.7 57.1 35 41 A G - 0 0 42 1,-0.1 -1,-0.2 2,-0.1 -4,-0.1 -0.017 57.9-120.6 -64.8-174.7 57.1 79.7 53.8 36 42 A T + 0 0 141 -6,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.542 63.3 126.9-116.6 -10.0 56.6 77.7 50.7 37 43 A L + 0 0 63 1,-0.1 -6,-2.9 -7,-0.1 2,-0.1 -0.336 14.8 151.4 -56.9 120.5 60.1 76.6 49.7 38 44 A D E +D 30 0A 100 -8,-0.3 2,-0.4 -2,-0.2 -8,-0.2 -0.664 22.3 162.9-151.8 80.3 60.3 72.8 49.2 39 45 A F E -D 29 0A 70 -10,-3.0 -10,-3.5 -2,-0.1 2,-0.8 -0.888 32.4-146.6-118.6 131.9 63.0 72.3 46.7 40 46 A T E -D 28 0A 82 -2,-0.4 2,-0.5 -12,-0.2 -12,-0.2 -0.860 15.2-161.1-103.5 112.3 65.0 69.3 45.8 41 47 A a E +D 27 0A 0 -14,-2.0 -14,-2.3 -2,-0.8 2,-0.3 -0.762 21.2 162.0 -90.6 122.1 68.5 70.0 44.9 42 48 A S E -D 26 0A 51 14,-2.0 2,-0.3 -2,-0.5 -16,-0.2 -0.996 15.2-179.3-149.0 147.4 70.3 67.3 42.9 43 49 A A E -D 25 0A 9 -18,-2.8 -18,-2.5 -2,-0.3 2,-0.3 -0.964 5.4-164.4-141.1 154.2 73.4 66.8 40.7 44 50 A Q E +D 24 0A 118 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.984 11.5 163.9-137.1 147.7 75.2 64.0 38.7 45 51 A A - 0 0 31 -22,-1.1 3,-0.4 -2,-0.3 -2,-0.0 -0.952 50.3-105.0-151.3 169.2 78.5 63.5 37.1 46 52 A D S S- 0 0 153 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.957 114.5 -3.2 -58.8 -53.4 80.5 60.5 35.8 47 53 A K S S- 0 0 130 -3,-0.1 -1,-0.3 -24,-0.1 -24,-0.2 -0.932 84.1-144.0-136.1 115.0 82.7 60.7 38.9 48 54 A X - 0 0 13 -26,-3.1 -26,-0.3 -3,-0.4 2,-0.3 -0.541 10.7-141.4 -81.0 145.5 82.0 63.6 41.3 49 55 A E - 0 0 124 -2,-0.2 3,-0.5 -28,-0.1 17,-0.3 -0.786 17.3-114.6-102.3 145.7 84.8 65.3 43.1 50 56 A D S S+ 0 0 55 -2,-0.3 17,-0.2 1,-0.2 3,-0.1 -0.356 97.2 24.0 -65.4 156.7 84.8 66.5 46.7 51 57 A H S S+ 0 0 63 15,-2.1 195,-0.4 1,-0.2 2,-0.4 0.879 93.5 120.8 54.5 47.3 85.0 70.3 47.2 52 58 A K - 0 0 85 -3,-0.5 14,-0.4 14,-0.3 -1,-0.2 -0.996 66.1-111.8-140.2 133.9 83.7 71.3 43.8 53 59 A W - 0 0 39 -2,-0.4 2,-0.3 12,-0.1 12,-0.2 -0.453 34.9-176.7 -64.9 133.1 80.7 73.4 43.0 54 60 A Y E -F 64 0B 27 10,-2.7 10,-2.5 -2,-0.2 2,-0.2 -0.965 28.0-112.1-124.1 147.7 77.8 71.6 41.4 55 61 A S E -F 63 0B 59 -2,-0.3 8,-0.3 8,-0.2 3,-0.1 -0.536 11.4-144.0 -73.6 144.7 74.5 73.1 40.1 56 62 A a S S- 0 0 4 6,-2.5 -14,-2.0 1,-0.4 2,-0.2 0.642 72.4 -53.7 -79.7 -15.7 71.3 72.2 42.0 57 63 A G S > S- 0 0 28 5,-0.5 3,-1.9 -16,-0.2 4,-0.5 -0.704 75.3 -51.1 150.5 156.1 69.4 72.2 38.7 58 64 A E T 3 S- 0 0 175 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.250 123.3 -0.0 -52.0 133.3 68.7 74.3 35.6 59 65 A N T 3 S+ 0 0 126 1,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.781 97.2 116.1 50.1 32.4 67.4 77.7 36.6 60 66 A S < - 0 0 21 -3,-1.9 -2,-0.1 2,-0.2 -1,-0.1 0.683 66.1-148.2 -89.8 -24.1 67.8 76.9 40.3 61 67 A F + 0 0 119 -4,-0.5 17,-2.9 1,-0.2 2,-0.3 0.838 59.5 116.5 50.2 38.5 70.4 79.6 40.6 62 68 A X E - G 0 77B 11 -5,-0.4 -6,-2.5 15,-0.2 -5,-0.5 -0.980 41.6-178.8-134.4 148.8 71.9 77.4 43.3 63 69 A N E -FG 55 76B 52 13,-2.7 13,-3.4 -2,-0.3 2,-0.3 -0.967 3.6-170.4-141.6 154.8 75.2 75.5 43.7 64 70 A F E -FG 54 75B 2 -10,-2.5 -10,-2.7 -2,-0.3 2,-0.3 -0.958 11.1-154.1-144.3 162.1 76.7 73.3 46.3 65 71 A S E - G 0 74B 3 9,-2.1 9,-2.5 -2,-0.3 2,-0.4 -0.978 14.8-160.5-134.2 147.0 79.9 71.6 47.2 66 72 A F E - G 0 73B 8 -14,-0.4 -15,-2.1 -2,-0.3 2,-0.6 -0.986 12.6-158.2-135.6 141.2 80.2 68.4 49.3 67 73 A G E >>> - G 0 72B 5 5,-2.5 5,-1.7 -2,-0.4 4,-1.0 -0.930 0.7-169.6-118.4 102.6 83.0 66.9 51.2 68 74 A S T 345S+ 0 0 45 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.636 80.6 79.2 -62.9 -13.7 82.5 63.2 51.7 69 75 A D T 345S- 0 0 109 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.978 121.3 -1.4 -55.4 -60.6 85.4 63.4 54.1 70 76 A R T <45S- 0 0 119 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.085 103.3-106.2-121.7 19.4 83.3 64.8 57.0 71 77 A S T <5 + 0 0 24 -4,-1.0 20,-2.6 1,-0.2 2,-0.4 0.898 62.1 169.3 55.4 42.0 80.0 65.0 55.1 72 78 A G E < -GH 67 90B 10 -5,-1.7 -5,-2.5 18,-0.2 2,-0.4 -0.698 19.3-160.0 -90.0 136.1 80.3 68.7 54.9 73 79 A L E -GH 66 89B 3 16,-3.2 16,-2.1 -2,-0.4 2,-0.5 -0.954 7.7-168.3-119.0 135.0 77.9 70.7 52.7 74 80 A L E -GH 65 88B 10 -9,-2.5 -9,-2.1 -2,-0.4 2,-0.4 -0.988 12.8-165.0-121.2 123.2 78.4 74.2 51.3 75 81 A L E -GH 64 87B 7 12,-2.6 12,-1.6 -2,-0.5 2,-0.4 -0.911 7.0-173.3-117.7 134.5 75.4 75.8 49.8 76 82 A K E -GH 63 86B 55 -13,-3.4 -13,-2.7 -2,-0.4 2,-0.5 -0.980 2.3-172.5-130.8 124.1 75.3 78.8 47.5 77 83 A Q E -GH 62 85B 49 8,-2.3 8,-2.1 -2,-0.4 2,-0.8 -0.955 12.5-153.2-116.5 120.8 72.2 80.7 46.2 78 84 A K E + H 0 84B 88 -17,-2.9 6,-0.2 -2,-0.5 3,-0.1 -0.812 19.0 171.6 -88.5 112.7 72.4 83.5 43.7 79 85 A V - 0 0 74 4,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.864 67.3 -24.3 -88.5 -38.5 69.4 85.7 44.3 80 86 A S S S- 0 0 38 3,-1.7 -1,-0.3 -19,-0.0 3,-0.2 -0.913 75.9 -83.8-155.3 178.1 70.5 88.4 41.9 81 87 A D S S+ 0 0 139 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.613 132.1 39.6 -62.0 -8.2 73.7 89.8 40.3 82 88 A D S S+ 0 0 102 1,-0.2 2,-0.5 40,-0.0 -1,-0.2 0.603 111.1 56.2-118.2 -21.0 74.0 91.8 43.5 83 89 A I + 0 0 62 -3,-0.2 -4,-2.3 38,-0.0 -3,-1.7 -0.964 51.2 164.6-124.9 120.8 72.9 89.4 46.3 84 90 A T E -HI 78 120B 29 36,-0.5 36,-3.3 -2,-0.5 2,-0.3 -0.999 15.1-161.5-129.5 135.8 74.3 85.9 47.1 85 91 A Y E -HI 77 119B 35 -8,-2.1 -8,-2.3 -2,-0.4 2,-0.3 -0.845 6.3-166.7-108.9 153.0 73.7 83.9 50.3 86 92 A V E +HI 76 118B 13 32,-2.9 32,-2.5 -2,-0.3 2,-0.3 -0.929 6.7 177.5-133.5 162.7 75.8 81.0 51.6 87 93 A A E -H 75 0B 2 -12,-1.6 -12,-2.6 -2,-0.3 2,-0.3 -0.974 14.6-143.0-157.6 163.3 75.4 78.3 54.3 88 94 A T E +H 74 0B 31 28,-0.3 2,-0.3 -2,-0.3 28,-0.3 -0.991 21.0 163.8-137.6 140.8 77.1 75.3 55.8 89 95 A A E -H 73 0B 12 -16,-2.1 -16,-3.2 -2,-0.3 2,-0.4 -0.956 31.2-130.6-148.0 163.9 75.9 72.0 57.2 90 96 A T E -H 72 0B 64 -2,-0.3 -18,-0.2 -18,-0.2 -19,-0.1 -0.992 20.5-155.5-117.3 130.8 76.9 68.5 58.1 91 97 A L - 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