==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 08-DEC-11 3V0R . COMPND 2 MOLECULE: MAJOR ALLERGEN ALT A 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ALTERNARIA ALTERNATA; . AUTHOR M.CHRUSZCZ,R.SOLBERG,T.OSINSKI,M.D.CHAPMAN,W.MINOR . 130 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 60.0 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 . 53 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.6 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+4), SAME NUMBER PER 100 RESIDUES . 1 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 2 0 2 2 0 3 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 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 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 28 A A 0 0 140 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -98.3 10.8 12.9 18.3 2 29 A S + 0 0 122 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.211 360.0 124.7 -88.4 13.9 10.9 16.5 17.0 3 30 A C S S- 0 0 79 2,-0.1 2,-2.3 1,-0.1 0, 0.0 -0.565 71.7-123.6 -73.9 137.5 13.6 17.3 19.6 4 31 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.377 83.0 90.9 -80.3 61.7 16.9 18.8 18.2 5 32 A V S S- 0 0 73 -2,-2.3 2,-0.5 -4,-0.1 -2,-0.1 -0.970 73.6-129.1-155.7 138.8 18.9 16.0 19.7 6 33 A T - 0 0 90 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.829 23.9-179.7 -92.6 124.2 20.1 12.5 18.5 7 34 A T + 0 0 71 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.403 59.3 46.2-110.7 3.8 19.2 9.9 21.1 8 35 A E + 0 0 111 31,-0.1 2,-0.2 5,-0.1 -1,-0.2 -0.995 62.0 108.6-147.3 141.4 20.5 6.7 19.5 9 36 A G > - 0 0 14 3,-0.5 3,-1.3 -2,-0.4 29,-0.5 -0.840 69.1 -96.6 169.2 162.4 23.6 5.6 17.8 10 37 A D T 3 S+ 0 0 110 1,-0.3 29,-0.1 -2,-0.2 -1,-0.1 0.768 128.6 36.0 -63.9 -26.3 26.8 3.5 18.1 11 38 A Y T 3 S+ 0 0 119 -3,-0.1 112,-2.9 27,-0.1 2,-0.5 0.113 101.0 94.9-114.2 18.6 28.6 6.7 19.2 12 39 A V E < -A 122 0A 9 -3,-1.3 26,-1.1 110,-0.2 -3,-0.5 -0.953 50.8-177.8-116.2 122.5 25.8 8.2 21.2 13 40 A W E -AB 121 37A 20 108,-1.9 108,-2.6 -2,-0.5 2,-0.4 -0.901 22.9-125.5-118.5 152.6 25.5 7.7 24.9 14 41 A K E -AB 120 36A 57 22,-2.9 22,-2.3 -2,-0.3 2,-0.5 -0.823 17.0-157.3-101.3 135.8 22.9 8.9 27.5 15 42 A I E +AB 119 35A 3 104,-3.2 104,-2.0 -2,-0.4 2,-0.3 -0.925 27.2 152.7-112.1 130.5 24.0 10.8 30.5 16 43 A S E + B 0 34A 11 18,-2.0 18,-3.4 -2,-0.5 102,-0.1 -0.951 40.3 40.6-151.0 170.2 21.6 10.8 33.5 17 44 A E E - 0 0 137 -2,-0.3 -1,-0.1 16,-0.2 101,-0.1 0.873 65.6-172.0 50.4 44.8 21.4 11.0 37.3 18 45 A F E + 0 0 9 99,-0.2 97,-2.4 80,-0.2 2,-0.3 -0.415 6.6 178.4 -59.1 137.1 23.9 13.9 37.6 19 46 A Y E +CB 114 32A 111 13,-2.7 13,-2.2 95,-0.2 2,-0.3 -0.981 7.8 165.0-136.1 152.4 24.8 14.6 41.3 20 47 A G E -CB 113 31A 0 93,-1.9 93,-3.0 -2,-0.3 2,-0.4 -0.959 21.2-147.8-161.2 154.4 27.1 17.0 42.9 21 48 A R E -CB 112 30A 60 9,-2.2 8,-2.4 -2,-0.3 9,-1.0 -0.994 3.9-169.3-125.0 131.3 27.8 18.5 46.3 22 49 A K E > -C 111 0A 44 89,-2.9 89,-2.5 -2,-0.4 3,-1.0 -0.936 6.9-169.3-114.5 99.0 29.1 22.0 47.0 23 50 A P T 3 S+ 0 0 13 0, 0.0 86,-0.3 0, 0.0 -1,-0.1 0.760 90.5 25.2 -66.5 -26.6 30.1 22.0 50.7 24 51 A E T 3 S- 0 0 80 3,-0.5 86,-0.2 86,-0.1 4,-0.1 0.125 117.3-103.1-122.0 17.7 30.6 25.7 50.8 25 52 A G S < S+ 0 0 32 -3,-1.0 3,-0.1 2,-0.2 85,-0.1 0.543 104.8 65.6 77.4 8.7 28.3 26.6 47.9 26 53 A T S S+ 0 0 92 1,-0.5 -1,-0.1 83,-0.1 2,-0.0 0.492 93.1 29.2-121.5 -91.7 31.2 27.1 45.4 27 54 A Y S S- 0 0 68 1,-0.1 -3,-0.5 -3,-0.1 -1,-0.5 -0.322 79.4-114.6 -71.5 154.0 33.5 24.2 44.3 28 55 A Y - 0 0 9 26,-0.3 26,-2.7 -6,-0.2 -6,-0.3 -0.695 23.8-176.5 -81.1 145.7 32.2 20.6 44.2 29 56 A N S S+ 0 0 32 -8,-2.4 22,-1.7 1,-0.3 2,-0.3 0.413 80.8 29.9-111.2 -8.2 33.7 18.0 46.5 30 57 A S E +BD 21 50A 26 -9,-1.0 -9,-2.2 20,-0.2 -1,-0.3 -0.958 67.5 168.0-150.6 132.0 31.7 15.2 44.9 31 58 A L E +BD 20 49A 8 18,-2.2 18,-2.5 -2,-0.3 2,-0.3 -0.995 9.5 147.4-147.6 139.8 30.5 14.9 41.3 32 59 A G E +BD 19 48A 9 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.3 -0.995 14.6 177.3-166.3 167.6 29.0 12.1 39.3 33 60 A F E - D 0 47A 2 14,-2.0 14,-2.8 -2,-0.3 2,-0.4 -0.969 31.7-106.1-168.0 160.4 26.6 10.8 36.6 34 61 A N E -BD 16 46A 48 -18,-3.4 -18,-2.0 -2,-0.3 2,-0.4 -0.815 25.4-159.7 -98.2 142.7 25.5 7.6 34.9 35 62 A I E +BD 15 45A 0 10,-3.0 10,-2.4 -2,-0.4 2,-0.4 -0.993 13.5 177.9-123.9 128.5 26.6 6.8 31.3 36 63 A K E -BD 14 44A 78 -22,-2.3 -22,-2.9 -2,-0.4 8,-0.2 -0.995 28.8-119.6-134.7 135.5 24.6 4.3 29.2 37 64 A A E -B 13 0A 8 6,-2.5 -24,-0.2 -2,-0.4 3,-0.1 -0.358 14.9-159.8 -63.9 148.8 24.9 3.1 25.6 38 65 A T S S+ 0 0 33 -26,-1.1 -1,-0.1 -29,-0.5 -28,-0.1 0.420 77.2 75.4-105.1 -6.8 21.9 3.7 23.4 39 66 A N S S- 0 0 64 -30,-0.3 -1,-0.1 -27,-0.2 3,-0.1 0.167 116.5 -93.0 -96.2 17.1 22.6 1.1 20.7 40 67 A G S S+ 0 0 78 1,-0.3 -30,-0.0 -3,-0.1 -2,-0.0 0.371 84.6 134.5 83.0 -1.9 21.6 -2.0 22.7 41 68 A G - 0 0 34 1,-0.1 -1,-0.3 2,-0.1 -4,-0.1 -0.301 66.4-111.5 -70.4 169.0 25.1 -2.6 24.0 42 69 A T + 0 0 140 -3,-0.1 -1,-0.1 -6,-0.1 -2,-0.0 0.675 69.5 126.3 -75.4 -19.4 25.8 -3.5 27.6 43 70 A L + 0 0 49 -7,-0.1 -6,-2.5 1,-0.0 2,-0.2 -0.128 20.2 139.6 -58.2 127.2 27.6 -0.3 28.7 44 71 A D E +D 36 0A 94 -8,-0.2 2,-0.3 2,-0.0 -8,-0.2 -0.717 22.3 137.1-169.0 102.1 26.1 1.3 31.8 45 72 A F E -D 35 0A 39 -10,-2.4 -10,-3.0 -2,-0.2 2,-0.4 -0.934 47.8-100.4-152.1 168.3 28.2 2.7 34.5 46 73 A T E -D 34 0A 82 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.792 22.0-162.9 -96.2 133.4 28.9 5.5 36.9 47 74 A a E +D 33 0A 0 -14,-2.8 -14,-2.0 -2,-0.4 2,-0.3 -0.985 31.3 144.3-111.2 122.2 31.4 8.1 36.3 48 75 A S E -D 32 0A 39 14,-2.1 2,-0.3 -2,-0.5 -16,-0.2 -0.992 28.1-166.5-153.0 165.0 32.4 10.1 39.5 49 76 A A E -D 31 0A 9 -18,-2.5 -18,-2.2 -2,-0.3 2,-0.3 -0.993 2.9-168.4-151.5 153.2 35.1 11.8 41.4 50 77 A Q E +D 30 0A 126 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.990 18.2 144.6-137.3 145.9 35.7 13.1 44.9 51 78 A A - 0 0 41 -22,-1.7 3,-0.4 -2,-0.3 -2,-0.0 -0.953 62.7 -96.0-165.0 167.1 38.3 15.3 46.5 52 79 A D S S+ 0 0 157 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.913 121.5 7.6 -55.7 -39.2 38.5 18.0 49.2 53 80 A K S S- 0 0 100 -24,-0.1 -1,-0.3 -3,-0.1 -24,-0.2 -0.845 78.1-149.4-145.5 108.8 38.2 20.4 46.2 54 81 A L - 0 0 10 -26,-2.7 2,-0.3 -3,-0.4 -26,-0.3 -0.510 21.2-136.3 -73.2 145.3 37.4 19.2 42.7 55 82 A E > - 0 0 87 -2,-0.1 3,-0.5 -28,-0.1 17,-0.4 -0.784 7.5-122.4-104.3 144.1 38.9 21.4 40.0 56 83 A D T 3 S+ 0 0 58 -2,-0.3 17,-0.2 1,-0.2 3,-0.1 -0.437 93.8 20.5 -69.5 156.9 37.4 22.7 36.7 57 84 A H T 3 S+ 0 0 154 15,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.880 96.1 120.4 45.8 48.7 39.1 21.8 33.4 58 85 A K < - 0 0 104 -3,-0.5 14,-0.3 14,-0.2 2,-0.3 -0.996 65.1-116.7-137.6 136.3 41.0 18.8 34.9 59 86 A W - 0 0 101 -2,-0.3 2,-0.4 12,-0.1 12,-0.2 -0.563 32.4-178.4 -74.6 131.7 40.8 15.2 33.8 60 87 A Y E -F 70 0B 37 10,-2.8 10,-2.6 -2,-0.3 2,-0.1 -0.978 30.9-112.7-122.7 145.5 39.5 12.8 36.4 61 88 A S E -F 69 0B 53 -2,-0.4 8,-0.2 8,-0.2 -13,-0.2 -0.457 20.5-130.3 -65.5 145.5 39.2 9.0 35.9 62 89 A a S S- 0 0 1 6,-2.5 -14,-2.1 -15,-0.1 2,-0.2 0.772 82.9 -27.5 -66.5 -26.1 35.6 7.9 35.7 63 90 A G S S- 0 0 31 5,-0.3 -1,-0.1 -16,-0.2 -16,-0.0 -0.931 83.8 -70.5-171.6-174.8 36.5 5.2 38.3 64 91 A E S S+ 0 0 111 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.910 131.2 22.1 -62.3 -43.8 39.5 3.1 39.5 65 92 A N S S+ 0 0 169 -3,-0.0 -1,-0.2 -4,-0.0 -3,-0.0 0.707 92.7 145.8 -90.6 -19.8 39.6 0.9 36.4 66 93 A S - 0 0 33 1,-0.1 -3,-0.1 2,-0.0 -4,-0.1 0.326 44.5-157.6 -54.3 140.4 37.9 3.1 33.9 67 94 A F S S+ 0 0 105 -6,-0.1 17,-0.5 -5,-0.1 2,-0.4 0.477 79.0 77.3 -77.9 -2.2 38.7 3.4 30.2 68 95 A M - 0 0 0 15,-0.1 -6,-2.5 -5,-0.0 2,-0.3 -0.921 59.7-165.8-115.8 141.4 37.0 6.8 30.3 69 96 A D E -FG 61 82B 50 13,-2.2 13,-2.4 -2,-0.4 2,-0.3 -0.862 10.7-167.9-113.2 152.9 38.2 10.3 31.6 70 97 A F E -FG 60 81B 1 -10,-2.6 -10,-2.8 -2,-0.3 2,-0.3 -0.961 11.0-167.4-136.9 159.6 36.0 13.3 32.2 71 98 A S E - G 0 80B 8 9,-2.2 9,-2.4 -2,-0.3 2,-0.4 -0.953 11.3-152.6-137.8 155.7 36.4 17.0 32.9 72 99 A F E - G 0 79B 5 -17,-0.4 -15,-1.7 -14,-0.3 2,-0.6 -0.990 12.6-156.7-133.3 140.5 33.8 19.5 34.1 73 100 A D E >>> - G 0 78B 40 5,-2.5 5,-2.0 -2,-0.4 3,-1.3 -0.929 12.7-168.3-109.4 104.9 33.3 23.3 33.7 74 101 A S G >45S+ 0 0 36 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.813 78.8 68.7 -70.0 -24.4 31.2 24.2 36.6 75 102 A D G 345S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.765 119.4 19.2 -62.3 -24.2 30.5 27.7 35.3 76 103 A R G <45S- 0 0 152 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.218 104.3-115.0-128.7 10.4 28.4 26.2 32.4 77 104 A S T <<5 + 0 0 24 -3,-0.7 20,-2.5 -4,-0.6 2,-0.5 0.882 61.0 166.0 48.4 45.0 27.6 22.7 33.7 78 105 A G E < -GH 73 96B 13 -5,-2.0 -5,-2.5 18,-0.2 2,-0.4 -0.782 24.7-160.1-102.4 126.1 29.6 21.5 30.9 79 106 A L E -GH 72 95B 4 16,-2.9 16,-1.8 -2,-0.5 2,-0.4 -0.853 5.3-171.0-100.2 140.3 30.9 17.9 30.6 80 107 A L E -GH 71 94B 54 -9,-2.4 -9,-2.2 -2,-0.4 2,-0.3 -0.996 5.9-168.9-128.5 128.8 33.8 16.7 28.5 81 108 A L E -GH 70 93B 0 12,-2.5 12,-1.5 -2,-0.4 2,-0.4 -0.917 0.9-165.8-112.0 150.8 34.5 12.9 28.1 82 109 A K E -GH 69 92B 54 -13,-2.4 -13,-2.2 -2,-0.3 2,-0.4 -0.999 7.7-178.0-139.1 135.3 37.6 11.4 26.5 83 110 A Q E - 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