==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 12-JAN-09 3FT1 . COMPND 2 MOLECULE: PHL P 3 ALLERGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR W.KELLER,S.C.DEVANABOYINA . 398 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 67.3 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 . 164 41.2 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 . 4 1.0 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 . 59 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.8 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+4), 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 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 . 8 8 4 4 4 8 0 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 4 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 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 51 0, 0.0 2,-0.6 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 169.7 41.5 -11.9 -5.6 2 2 A V B -A 98 0A 2 96,-2.2 96,-2.5 23,-0.1 2,-0.4 -0.923 360.0-177.2-106.9 119.6 41.9 -8.9 -3.3 3 3 A Q E +B 24 0B 88 21,-2.4 21,-2.7 -2,-0.6 2,-0.3 -0.925 7.9 175.8-114.6 140.2 38.7 -6.8 -3.0 4 4 A V E -B 23 0B 4 -2,-0.4 2,-0.3 91,-0.4 19,-0.2 -0.999 19.3-170.8-147.7 145.4 38.7 -3.6 -0.9 5 5 A T E -B 22 0B 30 17,-1.4 17,-2.3 -2,-0.3 2,-0.5 -0.980 10.5-156.3-129.2 149.8 36.6 -0.7 0.1 6 6 A F E -BC 21 93B 0 87,-2.3 87,-3.2 -2,-0.3 2,-0.5 -0.990 8.6-169.6-123.7 118.6 37.7 2.4 2.1 7 7 A T E -BC 20 92B 22 13,-2.4 13,-2.6 -2,-0.5 2,-0.5 -0.949 21.2-132.1-112.5 123.1 35.0 4.3 4.0 8 8 A V E -B 19 0B 0 83,-2.3 82,-3.2 -2,-0.5 2,-0.2 -0.590 27.9-148.0 -75.4 122.1 36.0 7.7 5.4 9 9 A Q > - 0 0 62 9,-3.2 3,-1.8 -2,-0.5 9,-0.4 -0.609 23.7 -92.8 -95.6 149.9 34.8 7.9 9.0 10 10 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.307 112.7 52.2 -54.3 140.0 33.7 10.9 11.0 11 11 A G T 3 S+ 0 0 38 1,-0.5 -1,-0.3 -3,-0.1 2,-0.1 0.125 81.2 121.7 108.5 -17.8 36.7 12.3 12.8 12 12 A S < + 0 0 13 -3,-1.8 -1,-0.5 6,-0.2 5,-0.2 -0.465 32.7 160.1 -70.3 149.4 38.7 12.5 9.6 13 13 A D B > -D 16 0B 72 3,-2.5 3,-2.4 -2,-0.1 74,-0.1 -0.906 59.5 -71.2-156.6-178.9 39.9 16.0 8.5 14 14 A P T 3 S+ 0 0 90 0, 0.0 47,-3.4 0, 0.0 3,-0.1 0.761 135.0 38.6 -56.2 -22.4 42.6 17.4 6.2 15 15 A K T 3 S+ 0 0 95 45,-0.3 42,-2.4 1,-0.2 2,-0.3 0.276 118.1 51.5-105.6 7.6 45.3 16.2 8.7 16 16 A K E < -DE 13 56B 33 -3,-2.4 -3,-2.5 40,-0.2 2,-0.6 -0.930 56.2-164.4-154.2 121.3 43.7 12.9 9.6 17 17 A L E - E 0 55B 0 38,-2.7 38,-2.0 -2,-0.3 2,-0.6 -0.937 6.5-175.7-106.6 120.5 42.3 9.9 7.7 18 18 A V E - E 0 54B 14 -2,-0.6 -9,-3.2 -9,-0.4 2,-0.5 -0.972 18.9-173.4-112.2 115.0 40.1 7.5 9.7 19 19 A L E -BE 8 53B 0 34,-3.2 34,-2.7 -2,-0.6 2,-1.0 -0.947 31.6-151.4-124.7 125.3 39.2 4.7 7.4 20 20 A D E -B 7 0B 34 -13,-2.6 -13,-2.4 -2,-0.5 2,-0.6 -0.830 30.7-168.5 -80.5 104.8 37.0 1.7 7.7 21 21 A I E -B 6 0B 12 -2,-1.0 2,-0.7 30,-0.3 -15,-0.2 -0.899 11.9-163.2-103.9 121.9 38.9 -0.6 5.4 22 22 A K E -B 5 0B 107 -17,-2.3 -17,-1.4 -2,-0.6 2,-0.5 -0.916 13.8-174.0-106.0 107.6 37.1 -3.8 4.3 23 23 A Y E -B 4 0B 33 -2,-0.7 2,-0.5 -19,-0.2 -19,-0.2 -0.890 5.0-171.8-110.2 127.7 39.7 -6.1 3.0 24 24 A T E +B 3 0B 68 -21,-2.7 -21,-2.4 -2,-0.5 5,-0.1 -0.962 20.9 146.7-126.2 113.3 38.7 -9.4 1.4 25 25 A R > - 0 0 71 -2,-0.5 3,-2.5 3,-0.5 -23,-0.1 -0.886 53.4-109.5-143.2 113.2 41.2 -12.1 0.4 26 26 A P T 3 S- 0 0 99 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.080 98.9 -0.7 -48.5 128.3 40.1 -15.7 0.7 27 27 A G T 3 S+ 0 0 95 1,-0.2 2,-0.3 46,-0.0 -3,-0.0 0.582 123.1 82.5 72.2 11.4 41.9 -17.5 3.5 28 28 A D < - 0 0 31 -3,-2.5 -3,-0.5 44,-0.1 2,-0.3 -0.831 57.5-157.7-138.6 170.9 43.9 -14.4 4.3 29 29 A S - 0 0 55 -2,-0.3 43,-2.9 -5,-0.1 44,-0.4 -0.968 33.8 -83.8-150.2 165.3 43.6 -11.2 6.3 30 30 A L E +G 71 0C 17 -2,-0.3 41,-0.2 41,-0.3 3,-0.1 -0.499 39.3 167.9 -74.3 136.4 45.1 -7.7 6.4 31 31 A A E + 0 0 13 39,-2.6 2,-0.3 1,-0.4 40,-0.2 0.735 65.4 12.2-109.9 -48.5 48.3 -7.3 8.4 32 32 A E E -G 70 0C 34 38,-2.3 38,-2.2 15,-0.0 -1,-0.4 -0.977 53.9-169.9-134.7 145.5 49.6 -3.9 7.4 33 33 A V E -G 69 0C 2 13,-0.4 13,-2.9 -2,-0.3 2,-0.3 -0.997 11.9-176.5-131.8 132.3 48.3 -0.8 5.6 34 34 A E E -GH 68 45C 7 34,-2.4 34,-2.4 -2,-0.4 2,-0.4 -0.954 15.0-141.0-127.2 150.8 50.5 2.1 4.6 35 35 A L E -GH 67 44C 0 9,-3.4 9,-3.7 -2,-0.3 2,-0.5 -0.868 7.2-166.0-106.1 138.6 49.7 5.4 2.9 36 36 A R E -G 66 0C 60 30,-2.6 30,-2.2 -2,-0.4 7,-0.1 -0.977 19.9-141.4-119.1 117.2 51.7 7.2 0.3 37 37 A Q > - 0 0 24 -2,-0.5 3,-1.9 5,-0.5 26,-0.2 -0.360 34.7 -87.2 -69.8 154.4 50.7 10.8 -0.2 38 38 A H T 3 S+ 0 0 90 24,-2.5 -1,-0.1 1,-0.3 3,-0.1 -0.428 116.6 14.8 -60.6 132.9 50.7 12.2 -3.7 39 39 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.596 107.1 110.3 76.9 10.3 54.2 13.6 -4.6 40 40 A S < - 0 0 31 -3,-1.9 -1,-0.3 22,-0.1 -4,-0.0 -0.852 54.2-159.7-114.3 154.0 55.7 11.7 -1.7 41 41 A E + 0 0 83 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.596 63.8 86.7-108.1 -13.6 58.0 8.7 -1.9 42 42 A E - 0 0 77 285,-0.1 2,-0.5 -5,-0.0 -5,-0.5 -0.675 69.5-132.7 -95.9 142.8 57.6 7.3 1.6 43 43 A W - 0 0 19 -2,-0.3 -7,-0.2 -7,-0.1 24,-0.1 -0.792 20.7-156.0 -85.2 126.6 55.0 4.8 2.8 44 44 A E E -H 35 0C 28 -9,-3.7 -9,-3.4 -2,-0.5 2,-0.0 -0.915 17.5-123.5-107.3 123.5 53.5 5.9 6.1 45 45 A P E -H 34 0C 91 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.341 15.9-140.6 -68.4 140.5 51.9 3.2 8.3 46 46 A L - 0 0 10 -13,-2.9 2,-0.5 9,-0.1 -13,-0.4 -0.734 19.2-127.0 -89.1 149.8 48.3 3.5 9.3 47 47 A T E -F 54 0B 83 7,-3.2 7,-2.6 -2,-0.3 2,-0.5 -0.860 16.3-128.5 -99.2 130.4 47.5 2.4 12.9 48 48 A K E -F 53 0B 123 -2,-0.5 2,-0.3 5,-0.2 5,-0.3 -0.678 26.5-180.0 -80.3 124.1 44.8 -0.2 13.4 49 49 A K E > -F 52 0B 30 3,-3.4 3,-0.8 -2,-0.5 2,-0.8 -0.626 56.5 -77.9-124.5 71.1 42.3 1.0 16.0 50 50 A G T 3 S+ 0 0 28 -2,-0.3 -1,-0.1 1,-0.2 130,-0.0 -0.640 118.0 4.9 76.0-111.1 39.7 -1.7 16.3 51 51 A N T 3 S+ 0 0 86 -2,-0.8 -30,-0.3 -3,-0.1 2,-0.3 0.501 130.8 47.4 -87.0 -5.8 37.3 -1.5 13.3 52 52 A V E < - F 0 49B 26 -3,-0.8 -3,-3.4 -32,-0.2 2,-0.4 -0.826 69.0-131.8-134.1 170.5 39.2 1.3 11.6 53 53 A W E -EF 19 48B 17 -34,-2.7 -34,-3.2 -2,-0.3 2,-0.4 -0.962 24.7-161.5-124.9 142.1 42.7 2.3 10.5 54 54 A E E +EF 18 47B 10 -7,-2.6 -7,-3.2 -2,-0.4 2,-0.4 -0.955 16.8 179.7-131.2 142.4 44.1 5.8 11.1 55 55 A V E -E 17 0B 9 -38,-2.0 -38,-2.7 -2,-0.4 2,-0.3 -0.980 12.2-172.9-137.6 130.8 46.9 8.0 9.8 56 56 A K E -E 16 0B 95 -2,-0.4 2,-0.3 -40,-0.2 -40,-0.2 -0.847 2.1-168.2-116.3 155.5 47.6 11.5 11.1 57 57 A S - 0 0 33 -42,-2.4 4,-0.1 -2,-0.3 -2,-0.0 -0.967 31.1-130.8-139.0 156.0 49.9 14.2 10.0 58 58 A S S S+ 0 0 96 -2,-0.3 -43,-0.1 2,-0.1 -42,-0.1 0.602 100.1 42.4 -79.1 -10.9 51.1 17.5 11.4 59 59 A K S S- 0 0 147 -44,-0.1 3,-0.1 -45,-0.1 -2,-0.0 -0.895 109.1 -75.4-129.2 159.9 50.3 19.0 8.0 60 60 A P - 0 0 85 0, 0.0 -45,-0.3 0, 0.0 2,-0.1 -0.269 54.9-111.3 -56.4 139.7 47.4 18.6 5.7 61 61 A L - 0 0 7 -47,-3.4 2,-0.6 -4,-0.1 -45,-0.1 -0.453 25.7-136.5 -72.6 144.0 47.6 15.3 3.8 62 62 A V - 0 0 71 -2,-0.1 -24,-2.5 -3,-0.1 -22,-0.1 -0.913 38.9-128.6-110.6 115.5 48.3 15.6 0.1 63 63 A G S S+ 0 0 7 -2,-0.6 2,-0.2 -26,-0.2 -26,-0.1 -0.412 78.7 78.2-105.5-175.8 46.2 13.4 -2.3 64 64 A P S S- 0 0 36 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.471 79.6-136.1 -66.3 154.5 45.1 11.6 -4.2 65 65 A F E - I 0 83C 1 18,-3.1 17,-2.4 -2,-0.2 18,-0.9 -0.672 15.9-157.2 -97.5 137.4 46.1 8.9 -1.7 66 66 A N E -G 36 0C 1 -30,-2.2 -30,-2.6 -2,-0.3 2,-0.4 -0.828 9.6-157.0-106.1 147.3 47.8 5.5 -2.5 67 67 A F E -GI 35 79C 0 12,-2.5 12,-2.9 -2,-0.3 2,-0.5 -0.989 6.3-158.4-130.7 132.0 47.6 2.5 -0.2 68 68 A R E -GI 34 78C 4 -34,-2.4 -34,-2.4 -2,-0.4 2,-0.4 -0.951 14.1-163.4-108.9 126.6 49.9 -0.5 0.2 69 69 A F E -GI 33 77C 0 8,-3.5 8,-2.0 -2,-0.5 2,-0.4 -0.878 10.6-170.5-107.1 140.7 48.5 -3.6 1.8 70 70 A M E -GI 32 76C 12 -38,-2.2 -39,-2.6 -2,-0.4 -38,-2.3 -0.994 17.3-148.5-124.8 122.4 50.4 -6.6 3.2 71 71 A S E > -G 30 0C 4 4,-2.3 3,-1.6 -2,-0.4 -41,-0.3 -0.394 28.3-109.8 -81.3 164.8 48.3 -9.6 4.1 72 72 A K T 3 S+ 0 0 129 -43,-2.9 -42,-0.1 1,-0.3 -1,-0.1 0.863 122.8 56.5 -59.2 -35.4 49.1 -12.0 7.0 73 73 A G T 3 S- 0 0 41 -44,-0.4 -1,-0.3 2,-0.1 321,-0.1 0.459 125.5-104.3 -76.6 -2.1 49.9 -14.5 4.2 74 74 A G < + 0 0 6 -3,-1.6 320,-3.0 1,-0.3 2,-0.5 0.738 68.4 150.1 86.7 24.8 52.4 -12.1 2.7 75 75 A M - 0 0 23 318,-0.2 -4,-2.3 234,-0.0 2,-0.4 -0.814 31.4-153.2 -92.1 128.8 50.4 -10.9 -0.2 76 76 A R E +I 70 0C 52 -2,-0.5 2,-0.4 316,-0.3 -6,-0.2 -0.851 17.9 171.3-104.1 131.3 51.2 -7.4 -1.3 77 77 A N E -I 69 0C 6 -8,-2.0 -8,-3.5 -2,-0.4 2,-0.5 -0.999 15.3-160.4-135.6 138.1 48.8 -5.1 -3.1 78 78 A V E -I 68 0C 17 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.981 3.3-164.0-114.8 128.1 49.1 -1.4 -4.0 79 79 A F E -I 67 0C 3 -12,-2.9 -12,-2.5 -2,-0.5 3,-0.4 -0.963 18.8-146.7-110.2 117.7 45.9 0.5 -4.7 80 80 A D E - 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