==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 04-APR-97 1WHO . COMPND 2 MOLECULE: ALLERGEN PHL P 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,C.DOLECEK,M.SUSANI,R.VALENTA, . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 58.5 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 . 38 40.4 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 . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 6 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.5 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+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 . 1 3 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 V 0 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.9 13.4 11.1 26.0 2 2 A P - 0 0 73 0, 0.0 3,-0.1 0, 0.0 22,-0.1 -0.233 360.0-149.6 -57.0 141.2 11.2 13.2 28.3 3 3 A K S S+ 0 0 123 1,-0.2 21,-2.9 20,-0.1 2,-0.4 0.789 83.9 38.7 -83.4 -29.8 9.4 16.2 26.7 4 4 A V E S+A 23 0A 4 19,-0.2 2,-0.3 2,-0.0 19,-0.2 -0.989 71.9 179.9-124.8 129.5 9.3 18.3 29.8 5 5 A T E -A 22 0A 17 17,-2.3 17,-2.0 -2,-0.4 2,-0.5 -0.970 18.9-155.9-133.4 151.9 12.2 18.5 32.3 6 6 A F E -AB 21 92A 0 86,-3.2 86,-3.0 -2,-0.3 2,-0.5 -0.976 12.9-169.7-126.3 110.9 12.9 20.4 35.5 7 7 A T E -AB 20 91A 12 13,-2.6 13,-2.8 -2,-0.5 2,-0.3 -0.926 18.8-134.3-108.0 120.2 16.6 20.9 36.4 8 8 A V E -A 19 0A 0 82,-1.7 81,-2.6 -2,-0.5 2,-0.2 -0.558 25.5-141.5 -76.3 130.8 17.4 22.2 39.9 9 9 A E > - 0 0 51 9,-2.4 3,-1.8 -2,-0.3 9,-0.3 -0.624 21.2 -91.4 -98.7 154.8 20.0 25.0 39.9 10 10 A K T 3 S+ 0 0 192 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.313 111.3 42.0 -59.0 133.4 22.9 26.0 42.2 11 11 A G T 3 S+ 0 0 41 1,-0.4 -1,-0.3 6,-0.0 2,-0.1 0.184 78.5 135.9 110.5 -16.8 21.8 28.3 44.9 12 12 A S < + 0 0 11 -3,-1.8 -1,-0.4 6,-0.1 2,-0.3 -0.441 23.8 139.8 -68.3 133.5 18.5 26.5 45.6 13 13 A N B > -C 16 0A 80 3,-3.0 3,-1.1 -2,-0.1 47,-0.1 -0.881 67.2 -57.1-154.9-170.2 17.9 26.1 49.3 14 14 A E T 3 S+ 0 0 136 1,-0.3 46,-2.5 -2,-0.3 3,-0.1 0.713 134.5 27.9 -54.4 -27.3 15.0 26.3 51.9 15 15 A K T 3 S+ 0 0 89 1,-0.2 41,-2.4 44,-0.2 2,-0.4 0.439 120.9 52.8-115.3 0.2 14.0 29.8 50.9 16 16 A H E < -CD 13 55A 50 -3,-1.1 -3,-3.0 39,-0.2 2,-0.5 -0.964 55.6-178.8-142.0 121.0 15.1 30.0 47.3 17 17 A L E - D 0 54A 1 37,-2.5 37,-2.0 -2,-0.4 2,-0.5 -0.973 1.8-176.7-119.4 126.8 14.3 27.6 44.5 18 18 A A E - D 0 53A 7 -2,-0.5 -9,-2.4 -9,-0.3 2,-0.4 -0.992 9.5-178.4-121.9 126.9 15.7 28.1 40.9 19 19 A V E -AD 8 52A 0 33,-3.1 33,-2.3 -2,-0.5 2,-0.7 -0.984 24.5-145.1-131.8 132.4 14.6 25.7 38.3 20 20 A L E -AD 7 51A 35 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.4 -0.828 27.0-165.3 -91.3 114.0 15.5 25.5 34.6 21 21 A V E -A 6 0A 7 29,-1.9 2,-0.4 -2,-0.7 -15,-0.2 -0.811 8.4-176.9-104.2 140.4 12.3 24.3 32.9 22 22 A K E -A 5 0A 85 -17,-2.0 -17,-2.3 -2,-0.4 2,-0.5 -0.988 13.2-177.2-141.9 131.5 12.3 23.0 29.3 23 23 A Y E > -A 4 0A 28 3,-0.5 3,-1.9 -2,-0.4 -19,-0.2 -0.987 38.7-115.9-124.2 113.1 9.4 21.9 27.1 24 24 A E T 3 S+ 0 0 114 -21,-2.9 3,-0.1 -2,-0.5 -21,-0.0 -0.237 94.5 5.3 -57.5 131.5 10.6 20.5 23.8 25 25 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.552 123.0 64.8 78.1 9.9 9.5 22.7 20.9 26 26 A D < - 0 0 23 -3,-1.9 -3,-0.5 45,-0.0 2,-0.3 -0.894 69.9-129.5-150.2 175.6 7.9 25.4 23.0 27 27 A T - 0 0 72 -2,-0.3 44,-3.1 -5,-0.1 45,-0.3 -0.975 32.0-101.4-135.3 145.7 8.8 28.1 25.5 28 28 A M E +F 70 0B 13 -2,-0.3 42,-0.3 42,-0.3 3,-0.1 -0.523 29.8 178.6 -72.1 130.8 7.3 28.9 28.9 29 29 A A E S- 0 0 48 40,-3.4 2,-0.3 1,-0.4 41,-0.2 0.816 76.1 -1.5 -92.9 -43.4 4.9 31.8 29.2 30 30 A E E -F 69 0B 64 39,-2.2 39,-2.7 15,-0.0 2,-0.4 -0.992 61.1-165.0-150.2 138.0 4.1 31.4 32.9 31 31 A V E -F 68 0B 0 -2,-0.3 13,-2.8 13,-0.2 2,-0.3 -0.997 10.4-170.2-128.7 125.7 5.3 28.9 35.5 32 32 A E E -FG 67 43B 29 35,-3.6 35,-2.4 -2,-0.4 2,-0.4 -0.887 8.6-145.8-116.5 151.1 3.5 28.5 38.9 33 33 A L E -FG 66 42B 5 9,-3.0 9,-2.7 -2,-0.3 2,-0.4 -0.901 11.4-173.4-119.9 142.9 4.5 26.6 42.0 34 34 A R E -F 65 0B 50 31,-2.4 31,-2.0 -2,-0.4 7,-0.1 -0.963 19.4-149.8-131.9 111.0 2.5 24.7 44.6 35 35 A E > - 0 0 47 -2,-0.4 3,-2.0 5,-0.3 27,-0.2 -0.344 38.8 -77.4 -78.7 164.0 4.5 23.4 47.5 36 36 A H T 3 S+ 0 0 101 25,-2.1 25,-0.2 27,-0.3 -1,-0.1 -0.383 121.4 21.3 -58.8 128.8 3.5 20.3 49.4 37 37 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.545 100.1 113.5 90.8 4.3 0.6 21.1 51.7 38 38 A S < - 0 0 29 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.851 49.8-163.9-111.5 147.5 -0.5 24.2 49.8 39 39 A D + 0 0 158 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.269 67.2 89.5-107.2 7.0 -3.7 24.7 47.9 40 40 A E - 0 0 134 -5,-0.1 2,-0.8 2,-0.0 -5,-0.3 -0.885 66.1-143.6-114.7 139.3 -2.4 27.8 46.0 41 41 A W - 0 0 75 -2,-0.4 2,-0.4 -7,-0.1 -7,-0.2 -0.853 26.6-166.3 -93.3 107.8 -0.6 28.1 42.7 42 42 A V E -G 33 0B 56 -9,-2.7 -9,-3.0 -2,-0.8 2,-0.1 -0.853 22.9-110.6-101.8 132.7 1.9 31.0 43.2 43 43 A A E -G 32 0B 49 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.342 25.6-143.3 -64.6 136.5 3.6 32.6 40.3 44 44 A M - 0 0 7 -13,-2.8 2,-0.5 10,-0.1 -13,-0.2 -0.488 23.7-108.2 -89.8 165.6 7.3 32.1 39.8 45 45 A T E -E 53 0A 88 8,-3.0 8,-2.5 -2,-0.2 2,-0.5 -0.879 27.5-120.9-100.8 131.5 9.6 34.9 38.5 46 46 A K E -E 52 0A 122 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.558 36.1-178.1 -74.0 120.8 11.0 34.6 35.0 47 47 A G - 0 0 25 4,-2.8 3,-0.5 -2,-0.5 2,-0.3 -0.141 36.5 -65.9 -99.3-160.5 14.8 34.6 35.1 48 48 A E S > S+ 0 0 175 1,-0.2 3,-1.1 2,-0.1 -1,-0.1 -0.644 107.8 12.4 -95.2 148.8 17.3 34.5 32.2 49 49 A G T 3 S- 0 0 75 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.719 132.5 -50.4 62.6 30.5 17.8 31.5 29.9 50 50 A G T 3 S+ 0 0 24 -3,-0.5 -29,-1.9 1,-0.3 2,-0.3 0.405 100.3 134.3 90.7 -0.4 14.7 29.5 30.9 51 51 A V E < -D 20 0A 33 -3,-1.1 -4,-2.8 -31,-0.2 2,-0.4 -0.613 35.3-166.7 -86.4 138.2 15.3 29.6 34.6 52 52 A W E -DE 19 46A 3 -33,-2.3 -33,-3.1 -2,-0.3 2,-0.3 -0.965 9.0-162.7-123.2 136.3 12.3 30.4 36.9 53 53 A T E -DE 18 45A 27 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.3 -0.903 14.0-164.6-126.5 161.3 12.8 31.3 40.5 54 54 A F E -D 17 0A 31 -37,-2.0 -37,-2.5 -2,-0.3 2,-0.4 -0.970 3.4-166.1-145.9 125.1 10.9 31.6 43.7 55 55 A D E -D 16 0A 108 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.930 13.4-177.2-112.1 128.3 11.8 33.4 47.0 56 56 A S - 0 0 30 -41,-2.4 4,-0.1 -2,-0.4 -2,-0.0 -0.934 30.8-144.0-126.0 153.8 9.9 32.6 50.2 57 57 A E S S+ 0 0 162 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.765 91.8 48.7 -86.1 -25.5 10.1 34.0 53.7 58 58 A E S S- 0 0 143 1,-0.1 -2,-0.1 -43,-0.1 0, 0.0 -0.664 108.6 -77.5-105.9 165.8 9.3 30.6 55.2 59 59 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -44,-0.2 -0.277 45.0-122.2 -62.8 144.4 10.9 27.3 54.4 60 60 A L - 0 0 20 -46,-2.5 2,-0.5 -4,-0.1 -44,-0.1 -0.796 24.3-152.9 -91.3 133.2 9.8 25.7 51.1 61 61 A Q - 0 0 88 -2,-0.4 -25,-2.1 -25,-0.2 23,-0.1 -0.952 24.3-129.9-113.7 119.0 8.4 22.2 51.6 62 62 A G S S+ 0 0 2 -2,-0.5 2,-0.2 -27,-0.2 22,-0.1 -0.338 77.4 91.3 -92.8 177.5 8.6 19.6 48.8 63 63 A P S S- 0 0 27 0, 0.0 -27,-0.3 0, 0.0 2,-0.3 0.497 74.9-144.0 -64.4 155.4 7.8 17.6 47.0 64 64 A F E - H 0 82B 6 18,-3.2 18,-1.3 -2,-0.2 17,-1.1 -0.712 12.1-157.6-101.5 143.4 7.0 20.5 44.5 65 65 A N E -F 34 0B 3 -31,-2.0 -31,-2.4 -2,-0.3 2,-0.4 -0.920 10.6-158.3-116.4 140.0 4.2 20.7 42.0 66 66 A F E -FH 33 78B 0 12,-2.3 12,-2.9 -2,-0.4 2,-0.4 -0.943 10.1-171.8-125.7 144.5 4.4 22.9 38.9 67 67 A R E +FH 32 77B 79 -35,-2.4 -35,-3.6 -2,-0.4 2,-0.3 -0.999 20.1 176.5-131.3 131.0 1.7 24.3 36.7 68 68 A F E -FH 31 76B 0 8,-2.6 8,-1.9 -2,-0.4 2,-0.4 -0.950 28.4-150.7-141.8 166.5 2.7 26.1 33.5 69 69 A L E -FH 30 75B 70 -39,-2.7 -40,-3.4 -2,-0.3 -39,-2.2 -0.997 21.9-149.3-131.6 130.0 1.5 27.9 30.4 70 70 A T E > -F 28 0B 7 4,-2.7 3,-1.8 -2,-0.4 -42,-0.3 -0.634 26.3-112.3-100.1 162.2 3.6 27.8 27.2 71 71 A E T 3 S+ 0 0 141 -44,-3.1 -43,-0.1 1,-0.3 -1,-0.1 0.818 117.1 53.3 -64.1 -27.2 3.8 30.5 24.5 72 72 A K T 3 S- 0 0 165 -45,-0.3 -1,-0.3 2,-0.0 -44,-0.1 0.470 128.3 -92.2 -88.4 3.0 2.1 28.2 22.0 73 73 A G S < S+ 0 0 57 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.560 73.5 143.1 107.7 5.9 -0.9 27.5 24.3 74 74 A M - 0 0 90 2,-0.0 -4,-2.7 0, 0.0 2,-0.4 -0.636 23.8-174.0 -84.8 142.7 -0.1 24.4 26.3 75 75 A K E +H 69 0B 69 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.999 15.0 159.9-134.1 125.2 -1.3 24.4 29.9 76 76 A N E -H 68 0B 50 -8,-1.9 -8,-2.6 -2,-0.4 2,-0.4 -0.994 30.9-144.7-149.2 158.1 -0.3 21.5 32.2 77 77 A V E -H 67 0B 67 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.962 12.5-169.8-122.8 128.1 0.0 20.5 35.8 78 78 A F E > -H 66 0B 44 -12,-2.9 -12,-2.3 -2,-0.4 3,-0.5 -0.973 14.8-149.0-123.3 114.0 2.8 18.1 37.0 79 79 A D E 3 - 0 0 99 -2,-0.5 -14,-0.2 -14,-0.2 -15,-0.1 -0.616 68.0 -7.7 -88.7 144.0 2.5 16.8 40.5 80 80 A D E 3 S+ 0 0 88 -2,-0.3 -15,-0.2 -17,-0.2 -1,-0.2 0.755 79.7 145.3 42.8 45.0 5.4 16.0 42.8 81 81 A V E < + 0 0 15 -17,-1.1 -16,-0.1 -3,-0.5 12,-0.1 0.819 62.6 47.6 -74.2 -38.0 8.0 16.3 40.1 82 82 A V E S-H 64 0B 0 -18,-1.3 -18,-3.2 10,-0.1 -1,-0.2 -0.964 89.0-133.1-110.4 125.0 10.8 17.7 42.3 83 83 A P - 0 0 47 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 -0.217 18.9-112.6 -73.6 163.1 11.3 15.8 45.5 84 84 A E S S+ 0 0 89 1,-0.3 2,-1.2 -22,-0.1 -22,-0.1 0.962 117.3 43.4 -57.4 -50.3 11.7 17.2 49.0 85 85 A K S S+ 0 0 163 2,-0.0 -1,-0.3 -23,-0.0 2,-0.2 -0.735 85.7 165.5 -99.0 84.5 15.3 16.1 49.0 86 86 A Y - 0 0 48 -2,-1.2 2,-0.4 -3,-0.3 -4,-0.0 -0.512 31.6-126.1 -94.6 168.7 16.5 17.1 45.6 87 87 A T > - 0 0 84 -2,-0.2 3,-1.7 3,-0.0 -79,-0.3 -0.955 26.0-110.0-119.5 133.5 20.1 17.3 44.3 88 88 A I T 3 S+ 0 0 80 -2,-0.4 -79,-0.2 1,-0.2 3,-0.1 -0.408 102.7 17.2 -60.1 134.0 21.5 20.4 42.7 89 89 A G T 3 S+ 0 0 54 -81,-2.6 -1,-0.2 1,-0.3 2,-0.2 0.222 94.3 125.0 88.3 -11.3 22.2 19.9 39.0 90 90 A A < - 0 0 30 -3,-1.7 -82,-1.7 -81,-0.0 2,-0.4 -0.485 55.6-131.2 -83.7 149.1 19.9 16.9 38.6 91 91 A T E -B 7 0A 85 -84,-0.2 2,-0.4 -2,-0.2 -84,-0.3 -0.853 18.1-163.7-101.4 134.4 17.2 16.8 36.0 92 92 A Y E +B 6 0A 43 -86,-3.0 -86,-3.2 -2,-0.4 -10,-0.1 -0.936 9.6 176.9-118.9 140.0 13.6 15.6 36.9 93 93 A A 0 0 43 -2,-0.4 -88,-0.1 -88,-0.2 -2,-0.0 -0.979 360.0 360.0-140.5 146.4 11.0 14.6 34.5 94 94 A P 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -89,-0.1 0.948 360.0 360.0 -66.6 360.0 7.4 13.3 34.9