==== 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 1WHP . 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) . 5482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 66.0 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 . 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 . 14 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.4 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 0 178 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 -0.3 32.5 40.0 2 2 A P - 0 0 72 0, 0.0 3,-0.1 0, 0.0 22,-0.1 -0.039 360.0-133.5 -65.5 174.2 -2.6 29.5 40.7 3 3 A K S S+ 0 0 114 1,-0.3 21,-2.7 20,-0.1 2,-0.6 0.835 94.3 41.5 -97.5 -43.7 -4.4 27.6 37.9 4 4 A V E S+A 23 0A 16 19,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.930 71.6 170.2-108.8 115.8 -7.8 27.5 39.6 5 5 A T E -A 22 0A 16 17,-1.7 17,-2.3 -2,-0.6 2,-0.5 -0.946 22.3-151.5-124.5 147.0 -8.9 30.7 41.5 6 6 A F E -AB 21 92A 0 86,-2.6 86,-2.9 -2,-0.3 2,-0.5 -0.918 15.4-171.2-121.6 103.9 -12.4 31.5 42.9 7 7 A T E -AB 20 91A 13 13,-2.2 13,-3.9 -2,-0.5 2,-0.8 -0.828 18.5-137.1 -98.5 127.7 -13.2 35.2 43.0 8 8 A V E -A 19 0A 0 82,-2.2 81,-3.2 -2,-0.5 11,-0.2 -0.739 28.3-143.3 -87.1 113.5 -16.3 36.5 44.8 9 9 A E > - 0 0 52 9,-2.1 3,-1.4 -2,-0.8 9,-0.2 -0.240 23.4 -84.7 -78.4 160.5 -18.0 39.1 42.7 10 10 A K T 3 S+ 0 0 192 1,-0.2 -1,-0.1 78,-0.1 3,-0.1 -0.414 111.2 45.2 -61.4 127.4 -19.8 42.3 43.5 11 11 A G T 3 S+ 0 0 49 1,-0.4 -1,-0.2 -2,-0.1 -2,-0.1 0.224 73.6 136.9 121.1 -12.9 -23.4 41.5 44.4 12 12 A S < + 0 0 17 -3,-1.4 -1,-0.4 6,-0.2 2,-0.3 -0.328 22.8 161.1 -64.1 148.5 -22.9 38.6 46.7 13 13 A N B > -C 16 0A 82 3,-2.0 3,-1.9 -3,-0.1 47,-0.1 -0.926 57.3 -76.3-156.9 172.7 -25.1 38.7 49.8 14 14 A E T 3 S+ 0 0 130 -2,-0.3 46,-1.9 1,-0.3 3,-0.1 0.716 132.9 33.2 -53.4 -25.3 -26.2 36.1 52.4 15 15 A K T 3 S+ 0 0 93 44,-0.2 41,-2.2 1,-0.2 2,-0.3 0.328 120.7 52.4-111.8 6.3 -28.9 34.7 50.1 16 16 A H E < -CD 13 55A 36 -3,-1.9 -3,-2.0 39,-0.2 2,-0.3 -0.771 60.6-174.3-147.5 100.8 -26.9 35.2 46.8 17 17 A L E - D 0 54A 0 37,-1.3 37,-1.5 -2,-0.3 2,-0.4 -0.665 5.0-171.1 -90.7 146.0 -23.4 34.0 46.2 18 18 A A E - D 0 53A 5 -2,-0.3 -9,-2.1 35,-0.2 2,-0.4 -0.931 8.3-174.2-141.1 112.8 -21.7 35.1 42.9 19 19 A V E -AD 8 52A 0 33,-2.3 33,-2.7 -2,-0.4 2,-1.0 -0.905 26.1-146.1-119.7 142.5 -18.3 33.5 42.0 20 20 A L E -AD 7 51A 37 -13,-3.9 -13,-2.2 -2,-0.4 2,-0.8 -0.819 24.7-166.2-100.7 91.1 -15.8 34.0 39.2 21 21 A V E -A 6 0A 9 -2,-1.0 2,-0.4 29,-0.7 7,-0.3 -0.741 9.5-179.2 -84.3 110.9 -14.5 30.5 38.7 22 22 A K E +A 5 0A 86 -17,-2.3 -17,-1.7 -2,-0.8 2,-0.4 -0.904 14.8 179.6-112.5 141.3 -11.3 30.6 36.6 23 23 A Y E > -A 4 0A 40 3,-0.5 3,-2.2 -2,-0.4 -19,-0.2 -0.864 30.4-131.8-138.2 98.7 -9.3 27.6 35.5 24 24 A E T 3 S+ 0 0 101 -21,-2.7 3,-0.1 -2,-0.4 -2,-0.0 -0.325 94.2 23.5 -53.9 127.4 -6.3 28.7 33.4 25 25 A G T 3 S+ 0 0 51 1,-0.3 2,-0.3 -2,-0.0 -1,-0.3 0.450 122.2 49.6 94.4 3.4 -6.2 26.5 30.3 26 26 A D < - 0 0 25 -3,-2.2 -3,-0.5 45,-0.0 2,-0.3 -0.930 67.6-125.6-158.5 178.3 -9.9 25.6 30.3 27 27 A T - 0 0 71 -2,-0.3 44,-3.3 -5,-0.1 45,-0.3 -0.988 30.5-110.9-136.0 142.8 -13.5 26.8 30.6 28 28 A M E -F 70 0B 11 -2,-0.3 42,-0.3 42,-0.3 3,-0.1 -0.534 25.3-179.1 -75.2 138.7 -16.3 25.8 32.9 29 29 A A E S- 0 0 42 40,-3.6 2,-0.3 1,-0.4 41,-0.2 0.663 77.1 -6.1-103.5 -31.7 -19.2 23.8 31.3 30 30 A E E -F 69 0B 65 39,-1.5 39,-2.4 2,-0.0 2,-0.5 -0.909 62.2-159.8-165.7 134.6 -21.1 23.5 34.6 31 31 A V E -F 68 0B 0 13,-0.4 13,-0.6 -2,-0.3 2,-0.3 -0.969 8.4-169.3-126.3 118.2 -20.3 24.5 38.2 32 32 A E E -FG 67 43B 38 35,-3.1 35,-2.5 -2,-0.5 2,-0.4 -0.761 6.6-154.1-104.1 154.2 -22.1 23.0 41.2 33 33 A L E -FG 66 42B 0 9,-2.5 9,-2.4 -2,-0.3 2,-0.5 -0.989 4.9-163.7-131.9 132.1 -21.9 24.2 44.7 34 34 A R E -F 65 0B 48 31,-2.6 31,-2.0 -2,-0.4 7,-0.2 -0.973 22.1-131.9-115.3 124.6 -22.4 22.3 48.0 35 35 A E > - 0 0 51 5,-0.5 3,-1.5 -2,-0.5 2,-0.3 -0.230 40.8 -76.4 -69.6 164.5 -22.9 24.3 51.1 36 36 A H T 3 S+ 0 0 82 25,-2.5 -1,-0.1 1,-0.3 3,-0.1 -0.435 115.1 2.8 -65.4 120.3 -21.0 23.5 54.3 37 37 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -2,-0.3 2,-0.2 0.398 102.2 112.2 87.9 -6.2 -22.5 20.5 56.0 38 38 A S < - 0 0 38 -3,-1.5 -1,-0.3 2,-0.1 -4,-0.0 -0.639 57.9-151.0 -93.0 160.8 -25.1 19.6 53.4 39 39 A D + 0 0 152 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.473 69.7 100.3-105.7 -7.9 -24.7 16.5 51.4 40 40 A E - 0 0 131 -5,-0.0 2,-0.6 1,-0.0 -5,-0.5 -0.597 59.1-155.0 -86.0 135.1 -26.6 18.1 48.5 41 41 A W - 0 0 66 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.933 13.3-161.4-108.1 117.9 -24.9 19.7 45.4 42 42 A V E -G 33 0B 35 -9,-2.4 -9,-2.5 -2,-0.6 2,-0.1 -0.724 20.6-115.4 -98.4 153.1 -27.0 22.4 43.8 43 43 A A E -G 32 0B 58 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.370 26.3-137.1 -78.8 164.0 -26.3 23.5 40.2 44 44 A M - 0 0 3 -13,-0.6 -13,-0.4 -2,-0.1 2,-0.3 -0.976 17.2-116.6-124.9 141.2 -25.2 27.1 39.7 45 45 A T E -E 53 0A 95 8,-1.3 2,-1.7 -2,-0.4 8,-1.4 -0.584 25.3-120.8 -78.5 136.3 -26.5 29.4 36.9 46 46 A K E -E 52 0A 93 -2,-0.3 6,-0.2 6,-0.2 -1,-0.1 -0.566 36.6-177.9 -78.0 84.9 -24.0 30.5 34.3 47 47 A G - 0 0 22 -2,-1.7 3,-0.5 4,-1.3 2,-0.3 -0.042 35.9 -83.6 -66.9-174.5 -24.2 34.3 34.6 48 48 A E S S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.2 4,-0.0 -0.736 105.0 39.8-112.8 155.7 -22.0 36.1 32.2 49 49 A G S S- 0 0 79 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.236 135.5 -63.2 102.7 -3.4 -18.4 37.1 31.9 50 50 A G S S+ 0 0 24 -3,-0.5 -29,-0.7 1,-0.3 2,-0.5 0.661 97.9 144.0 100.3 25.0 -17.9 33.6 33.4 51 51 A V E -D 20 0A 22 -31,-0.2 -4,-1.3 -5,-0.1 2,-0.6 -0.836 33.9-160.6 -98.5 128.2 -19.7 34.3 36.7 52 52 A W E -DE 19 46A 8 -33,-2.7 -33,-2.3 -2,-0.5 -6,-0.2 -0.942 16.9-179.4-110.6 114.9 -21.7 31.6 38.2 53 53 A T E -DE 18 45A 27 -8,-1.4 -8,-1.3 -2,-0.6 2,-0.3 -0.403 14.9-159.1-104.1-176.1 -24.3 32.8 40.8 54 54 A F E -D 17 0A 34 -37,-1.5 -37,-1.3 -10,-0.2 2,-0.8 -0.820 8.6-151.0-166.3 121.8 -26.8 31.1 42.9 55 55 A D E -D 16 0A 98 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.851 18.4-165.4-104.1 99.4 -29.9 32.6 44.5 56 56 A S - 0 0 15 -41,-2.2 4,-0.1 -2,-0.8 -2,-0.1 -0.649 20.2-144.5 -84.2 139.7 -30.7 30.7 47.8 57 57 A E S S+ 0 0 163 -2,-0.3 -1,-0.1 2,-0.1 -42,-0.1 0.429 92.8 36.9 -83.5 1.1 -34.1 31.2 49.4 58 58 A E S S- 0 0 144 -43,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.854 110.7 -79.8-137.1 165.7 -32.4 30.9 52.8 59 59 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 -44,-0.2 -0.199 49.8-112.3 -65.5 169.0 -29.0 32.3 53.7 60 60 A L - 0 0 23 -46,-1.9 2,-0.7 -4,-0.1 -44,-0.1 -0.873 18.6-139.2-107.0 137.5 -25.9 30.2 52.6 61 61 A Q - 0 0 82 -2,-0.4 -25,-2.5 -25,-0.1 23,-0.1 -0.853 36.1-126.6 -99.9 112.3 -23.6 28.4 55.1 62 62 A G S S+ 0 0 0 -2,-0.7 2,-0.2 -27,-0.2 22,-0.1 -0.290 78.2 79.3 -83.0 174.4 -19.9 28.6 54.4 63 63 A P S S- 0 0 34 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.608 77.4-142.4 -72.5 155.2 -17.2 27.5 53.9 64 64 A F E - H 0 82B 4 18,-3.8 17,-2.0 -2,-0.2 18,-1.1 -0.678 12.6-153.4 -99.3 144.7 -18.2 26.6 50.3 65 65 A N E -F 34 0B 3 -31,-2.0 -31,-2.6 -2,-0.3 2,-0.3 -0.913 15.1-165.8-109.6 130.9 -17.3 23.5 48.3 66 66 A F E -FH 33 78B 0 12,-2.2 12,-2.5 -2,-0.4 2,-0.4 -0.915 8.6-175.9-120.8 146.8 -17.3 23.8 44.5 67 67 A R E -FH 32 77B 54 -35,-2.5 -35,-3.1 -2,-0.3 2,-0.3 -0.993 12.3-177.5-139.8 135.0 -17.3 21.1 41.8 68 68 A F E -FH 31 76B 0 8,-1.8 8,-1.1 -2,-0.4 2,-0.5 -0.943 27.4-144.8-140.2 160.2 -17.0 21.7 38.1 69 69 A L E -FH 30 75B 69 -39,-2.4 -40,-3.6 -2,-0.3 -39,-1.5 -0.976 28.6-148.6-115.7 126.0 -17.0 20.1 34.7 70 70 A T E > -F 28 0B 2 4,-2.3 3,-2.1 -2,-0.5 -42,-0.3 -0.592 27.1-109.1 -95.1 166.2 -14.7 21.9 32.2 71 71 A E T 3 S+ 0 0 129 -44,-3.3 -43,-0.1 1,-0.3 -1,-0.1 0.744 120.4 57.1 -65.7 -16.4 -15.3 22.1 28.5 72 72 A K T 3 S- 0 0 161 -45,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.376 126.2 -98.8 -94.2 5.8 -12.4 19.7 28.1 73 73 A G S < S+ 0 0 53 -3,-2.1 2,-0.6 1,-0.3 -2,-0.1 0.588 73.4 148.5 89.7 9.4 -13.9 17.0 30.3 74 74 A M - 0 0 82 2,-0.0 -4,-2.3 1,-0.0 2,-0.5 -0.705 22.7-176.1 -80.6 119.6 -12.0 18.0 33.4 75 75 A K E +H 69 0B 109 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.920 11.7 162.1-122.2 106.0 -14.1 17.3 36.5 76 76 A N E -H 68 0B 54 -8,-1.1 -8,-1.8 -2,-0.5 2,-0.4 -0.801 26.5-143.8-120.4 162.5 -12.6 18.3 39.8 77 77 A V E -H 67 0B 71 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.944 9.2-170.5-125.0 142.6 -13.9 18.9 43.3 78 78 A F E -H 66 0B 42 -12,-2.5 -12,-2.2 -2,-0.4 2,-0.4 -0.975 12.0-153.1-136.1 114.0 -12.7 21.5 45.7 79 79 A D E - 0 0 100 -2,-0.4 -14,-0.2 -14,-0.2 -15,-0.1 -0.740 69.7 -7.9 -91.1 140.2 -13.9 21.3 49.2 80 80 A D E S+ 0 0 79 -2,-0.4 -15,-0.3 -17,-0.2 -1,-0.2 0.781 74.1 141.4 47.1 60.0 -14.1 24.5 51.2 81 81 A V E + 0 0 17 -17,-2.0 -16,-0.1 -3,-0.3 -75,-0.1 0.661 66.1 53.2-100.1 -17.9 -12.4 27.2 49.1 82 82 A V E S-H 64 0B 0 -18,-1.1 -18,-3.8 4,-0.1 -1,-0.2 -0.946 85.6-145.7-119.5 101.8 -14.7 30.2 49.9 83 83 A P > - 0 0 45 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 -0.058 25.5-104.9 -60.7 168.3 -15.0 30.6 53.7 84 84 A E T 3 S+ 0 0 111 1,-0.3 2,-1.1 -21,-0.1 -24,-0.1 0.919 120.7 51.9 -65.1 -37.8 -18.1 31.7 55.5 85 85 A K T 3 S+ 0 0 185 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.457 80.2 161.5 -95.7 61.3 -16.5 35.1 56.1 86 86 A Y < - 0 0 46 -2,-1.1 2,-0.4 -3,-0.6 -4,-0.1 -0.513 31.5-140.9 -77.9 151.7 -15.5 35.8 52.5 87 87 A T > - 0 0 88 -2,-0.2 3,-1.0 1,-0.0 -79,-0.3 -0.917 27.0-107.2-112.9 140.2 -14.7 39.4 51.5 88 88 A I T 3 S+ 0 0 73 -2,-0.4 -79,-0.2 1,-0.2 3,-0.1 -0.338 101.9 23.3 -65.5 147.2 -16.0 40.6 48.1 89 89 A G T 3 S+ 0 0 50 -81,-3.2 -1,-0.2 1,-0.3 -80,-0.1 0.128 95.3 129.4 84.9 -21.9 -13.5 41.1 45.3 90 90 A A < - 0 0 26 -3,-1.0 -82,-2.2 -82,-0.1 2,-0.5 -0.382 53.9-140.5 -70.2 141.5 -11.2 38.7 47.2 91 91 A T E -B 7 0A 83 -84,-0.2 2,-0.5 -3,-0.1 -84,-0.3 -0.914 12.9-160.2-105.0 125.2 -9.7 35.8 45.2 92 92 A Y E +B 6 0A 47 -86,-2.9 -86,-2.6 -2,-0.5 -11,-0.1 -0.925 12.8 176.6-111.0 123.4 -9.6 32.4 46.9 93 93 A A 0 0 49 -2,-0.5 -88,-0.1 -88,-0.2 -2,-0.0 -0.969 360.0 360.0-132.7 125.3 -7.2 29.8 45.7 94 94 A P 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -89,-0.1 0.907 360.0 360.0 -63.1 360.0 -6.4 26.3 47.1