==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 08-JUL-08 2VXQ . COMPND 2 MOLECULE: POLLEN ALLERGEN PHL P 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR S.PADAVATTAN,S.FLICKER,T.SCHIRMER,C.MADRITSCH,S.RANDOW,G.REE . 518 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 42.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 7 6 6 2 6 9 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 5 2 2 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 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 3 A K 0 0 176 0, 0.0 21,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -56.7 21.1 28.5 20.2 2 4 A V E +A 21 0A 5 19,-0.2 2,-0.3 90,-0.1 19,-0.2 -0.948 360.0 177.5-123.0 131.3 18.2 26.8 22.0 3 5 A T E -A 20 0A 46 17,-1.7 17,-1.6 -2,-0.4 2,-0.5 -0.947 16.9-152.2-129.9 152.8 16.4 27.8 25.2 4 6 A F E -AB 19 90A 0 86,-3.6 86,-3.5 -2,-0.3 2,-0.6 -0.960 11.1-168.1-126.4 111.1 13.4 26.4 27.2 5 7 A T E -AB 18 89A 24 13,-2.6 13,-3.0 -2,-0.5 2,-0.4 -0.889 22.8-128.5-102.1 123.5 11.4 28.8 29.3 6 8 A V E -A 17 0A 1 82,-2.4 81,-3.1 -2,-0.6 11,-0.2 -0.579 29.7-147.0 -75.8 122.9 8.9 27.2 31.7 7 9 A E > - 0 0 56 9,-3.1 3,-1.4 -2,-0.4 9,-0.4 -0.494 21.6 -87.9 -94.4 157.1 5.5 28.8 31.2 8 10 A K T 3 S+ 0 0 187 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.193 110.6 43.6 -57.9 150.9 2.7 29.6 33.7 9 11 A G T 3 S+ 0 0 37 1,-0.4 -1,-0.2 6,-0.0 2,-0.2 0.217 78.9 139.1 91.2 -13.6 0.2 26.8 34.2 10 12 A S < + 0 0 10 -3,-1.4 -1,-0.4 6,-0.2 2,-0.2 -0.470 22.3 141.6 -63.7 128.8 3.1 24.3 34.4 11 13 A N B > -C 14 0A 85 3,-3.3 3,-1.3 -2,-0.2 47,-0.1 -0.833 67.3 -63.7-154.2-171.1 2.4 21.8 37.2 12 14 A E T 3 S+ 0 0 120 1,-0.3 46,-3.9 -2,-0.2 3,-0.1 0.749 134.9 31.6 -60.5 -25.2 2.8 18.0 38.0 13 15 A K T 3 S+ 0 0 92 44,-0.2 41,-2.8 1,-0.2 2,-0.3 0.332 120.7 52.1-113.3 5.9 0.4 17.0 35.1 14 16 A H E < -CD 11 53A 39 -3,-1.3 -3,-3.3 39,-0.2 2,-0.5 -0.963 56.4-174.0-146.7 120.5 1.1 19.8 32.7 15 17 A L E - D 0 52A 0 37,-2.5 37,-2.6 -2,-0.3 2,-0.5 -0.987 7.0-177.9-115.5 126.1 4.4 21.1 31.3 16 18 A A E + D 0 51A 3 -2,-0.5 -9,-3.1 -9,-0.4 2,-0.4 -0.993 6.2 177.8-123.7 121.5 4.4 24.2 29.2 17 19 A V E -AD 6 50A 0 33,-3.2 33,-3.9 -2,-0.5 2,-0.7 -0.990 27.6-140.3-129.1 136.8 7.6 25.5 27.7 18 20 A L E -AD 5 49A 55 -13,-3.0 -13,-2.6 -2,-0.4 2,-0.5 -0.868 27.1-161.8 -89.1 115.1 8.4 28.4 25.4 19 21 A V E -A 4 0A 7 29,-2.8 2,-0.5 -2,-0.7 7,-0.2 -0.903 10.4-177.0-105.9 125.7 11.0 27.0 23.0 20 22 A K E -A 3 0A 88 -17,-1.6 -17,-1.7 -2,-0.5 2,-0.5 -0.981 3.4-173.6-126.9 116.7 13.1 29.5 21.0 21 23 A Y E > -A 2 0A 26 3,-0.5 3,-1.5 -2,-0.5 -19,-0.2 -0.954 31.5-115.3-111.6 125.6 15.6 28.3 18.5 22 24 A E T 3 S- 0 0 136 -21,-2.3 3,-0.1 -2,-0.5 -20,-0.0 -0.397 93.0 -2.9 -66.2 124.5 17.9 30.9 16.9 23 25 A G T 3 S+ 0 0 53 -2,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.701 127.2 59.9 71.0 22.2 17.4 31.3 13.1 24 26 A D S < S- 0 0 22 -3,-1.5 -3,-0.5 45,-0.0 2,-0.3 -0.965 70.9-125.4-164.1 170.2 14.8 28.6 12.9 25 27 A T - 0 0 87 -2,-0.3 44,-2.8 -5,-0.1 2,-0.4 -0.948 31.0-106.0-127.8 151.7 11.4 27.4 14.2 26 28 A M E +F 68 0B 16 -2,-0.3 42,-0.3 42,-0.2 3,-0.1 -0.612 27.6 177.6 -80.5 129.8 10.3 24.2 15.8 27 29 A A E S+ 0 0 20 40,-2.9 2,-0.3 1,-0.4 41,-0.2 0.783 78.2 6.3 -90.5 -41.5 8.3 21.7 13.8 28 30 A E E -F 67 0B 92 39,-2.2 39,-2.5 15,-0.1 -1,-0.4 -0.997 62.2-172.9-144.5 142.1 8.2 19.1 16.6 29 31 A V E -F 66 0B 1 13,-0.4 13,-2.9 -2,-0.3 2,-0.3 -0.999 10.1-179.2-135.8 135.0 9.3 19.1 20.2 30 32 A E E -FG 65 41B 4 35,-3.1 35,-1.7 -2,-0.4 2,-0.3 -0.920 10.0-152.2-132.2 156.5 9.2 16.0 22.5 31 33 A L E -FG 64 40B 0 9,-2.4 9,-2.7 -2,-0.3 2,-0.4 -0.914 4.9-165.0-126.4 152.8 10.1 15.4 26.1 32 34 A R E -F 63 0B 5 31,-2.6 31,-3.1 -2,-0.3 7,-0.1 -0.956 22.4-131.0-135.5 125.3 11.4 12.4 28.1 33 35 A E E > -F 62 0B 46 -2,-0.4 3,-1.4 5,-0.3 29,-0.2 -0.375 29.1-112.3 -64.0 148.0 11.3 12.3 31.9 34 36 A H T 3 S+ 0 0 99 27,-2.1 -1,-0.1 25,-0.4 26,-0.1 0.913 118.9 42.3 -49.1 -46.9 14.5 11.2 33.5 35 37 A G T 3 S+ 0 0 77 24,-0.5 -1,-0.3 26,-0.1 2,-0.2 0.647 99.2 98.1 -73.6 -14.1 12.9 8.0 34.7 36 38 A S < - 0 0 32 -3,-1.4 366,-0.0 1,-0.1 3,-0.0 -0.488 55.1-159.5 -95.2 146.8 11.0 7.3 31.4 37 39 A D S S+ 0 0 87 -2,-0.2 365,-3.1 364,-0.1 2,-0.4 0.519 74.1 70.2 -92.9 -7.7 11.8 5.0 28.5 38 40 A E B S-J 401 0C 56 363,-0.3 -5,-0.3 364,-0.1 363,-0.2 -0.937 72.6-131.8-124.7 135.7 9.6 6.7 26.0 39 41 A W - 0 0 3 361,-2.9 2,-0.4 -2,-0.4 -7,-0.2 -0.536 23.9-152.6 -73.9 142.3 9.6 10.1 24.2 40 42 A V E -G 31 0B 40 -9,-2.7 -9,-2.4 -2,-0.2 2,-0.3 -0.979 14.2-121.6-124.1 135.3 6.3 12.0 24.3 41 43 A A E -G 30 0B 53 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.534 22.2-145.5 -75.5 131.2 5.2 14.5 21.7 42 44 A M - 0 0 11 -13,-2.9 2,-0.5 -2,-0.3 -13,-0.4 -0.620 18.8-117.1 -90.9 159.1 4.5 18.0 22.9 43 45 A T E -E 51 0A 93 8,-3.0 8,-2.0 -2,-0.2 2,-0.3 -0.859 23.1-121.4-103.9 128.8 1.7 20.1 21.3 44 46 A K E +E 50 0A 112 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.518 38.2 173.6 -69.4 122.9 2.5 23.3 19.4 45 47 A G > - 0 0 30 4,-3.2 3,-0.5 -2,-0.3 2,-0.1 -0.320 39.4 -55.8-108.5-162.0 0.7 26.3 20.9 46 48 A E G > S+ 0 0 174 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 -0.430 111.0 11.3 -78.2 152.9 1.0 30.0 20.1 47 49 A G G 3 S- 0 0 67 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.814 133.5 -52.0 52.6 41.9 4.2 32.1 20.2 48 50 A G G < S+ 0 0 30 -3,-0.5 -29,-2.8 1,-0.2 2,-0.5 0.546 96.5 145.8 77.4 9.9 6.6 29.2 20.5 49 51 A V E < -D 18 0A 31 -3,-1.8 -4,-3.2 -31,-0.2 2,-0.4 -0.692 27.2-170.3 -87.0 126.3 4.8 27.6 23.4 50 52 A W E -DE 17 44A 10 -33,-3.9 -33,-3.2 -2,-0.5 2,-0.3 -0.936 7.1-168.3-115.5 138.6 4.8 23.8 23.6 51 53 A T E -DE 16 43A 31 -8,-2.0 -8,-3.0 -2,-0.4 2,-0.4 -0.930 15.3-166.9-131.2 149.0 2.7 21.8 26.1 52 54 A F E -D 15 0A 44 -37,-2.6 -37,-2.5 -2,-0.3 2,-0.5 -0.990 7.2-159.6-133.8 130.9 2.3 18.3 27.4 53 55 A D E -D 14 0A 98 -2,-0.4 2,-0.3 -39,-0.2 -39,-0.2 -0.940 17.2-157.6-107.9 122.4 -0.6 17.0 29.5 54 56 A S - 0 0 19 -41,-2.8 4,-0.1 -2,-0.5 -2,-0.0 -0.793 23.0-151.7-108.8 142.0 0.2 13.9 31.5 55 57 A E S S+ 0 0 158 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.930 92.2 37.2 -69.4 -49.2 -2.2 11.2 32.9 56 58 A E S S- 0 0 136 1,-0.1 -2,-0.0 -43,-0.0 0, 0.0 -0.621 110.5 -77.7 -97.5 160.9 0.3 10.5 35.7 57 59 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.314 46.1-128.9 -58.0 137.8 2.5 13.1 37.6 58 60 A L - 0 0 19 -46,-3.9 2,-0.4 -47,-0.1 -44,-0.1 -0.714 22.2-168.7 -87.5 140.7 5.5 14.2 35.6 59 61 A Q - 0 0 119 -2,-0.3 -24,-0.5 2,-0.1 -25,-0.4 -0.964 22.4-139.8-134.0 115.2 8.9 14.1 37.4 60 62 A G S S+ 0 0 6 -2,-0.4 2,-0.2 22,-0.3 22,-0.2 -0.042 72.9 121.7 -75.7-171.6 12.0 15.8 35.9 61 63 A P - 0 0 31 0, 0.0 -27,-2.1 0, 0.0 2,-0.5 0.522 68.3-146.4 -60.0 157.2 14.7 16.3 35.0 62 64 A F E -FH 33 80B 2 18,-3.1 17,-2.0 -29,-0.2 18,-1.3 -0.916 13.2-158.5-112.6 127.0 13.4 16.6 31.5 63 65 A N E -F 32 0B 0 -31,-3.1 -31,-2.6 -2,-0.5 2,-0.4 -0.726 15.6-161.2 -92.7 145.1 15.2 15.6 28.3 64 66 A F E -FH 31 76B 0 12,-2.6 12,-3.5 -2,-0.3 2,-0.3 -0.984 14.5-177.8-128.8 145.0 14.0 17.1 25.0 65 67 A R E +FH 30 75B 0 -35,-1.7 -35,-3.1 -2,-0.4 2,-0.3 -0.953 14.8 178.2-128.0 158.2 14.4 16.3 21.3 66 68 A F E -FH 29 74B 0 8,-2.0 8,-1.6 -2,-0.3 2,-0.4 -0.976 27.2-141.0-154.2 163.1 13.1 18.3 18.4 67 69 A L E -FH 28 73B 32 -39,-2.5 -40,-2.9 -2,-0.3 -39,-2.2 -0.999 25.3-146.1-127.2 124.3 12.8 18.7 14.7 68 70 A T E > -F 26 0B 2 4,-2.4 3,-1.4 -2,-0.4 -42,-0.2 -0.462 26.4-111.9 -86.3 163.2 13.1 22.2 13.2 69 71 A E T 3 S+ 0 0 115 -44,-2.8 -43,-0.1 1,-0.3 -1,-0.1 0.819 121.5 55.0 -63.3 -30.7 11.2 23.3 10.1 70 72 A K T 3 S- 0 0 160 -45,-0.3 -1,-0.3 2,-0.1 -44,-0.1 0.528 126.9-102.6 -78.7 -7.8 14.6 23.5 8.3 71 73 A G < + 0 0 33 -3,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.572 68.2 149.2 102.6 12.4 15.1 19.8 9.2 72 74 A M - 0 0 79 2,-0.0 -4,-2.4 0, 0.0 2,-0.4 -0.651 26.8-163.4 -80.3 129.4 17.6 20.0 12.2 73 75 A K E +H 67 0B 19 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.956 18.3 157.2-115.0 132.1 17.2 17.2 14.7 74 76 A N E -H 66 0B 11 -8,-1.6 -8,-2.0 -2,-0.4 2,-0.4 -0.979 27.0-150.2-147.0 160.7 18.7 17.4 18.2 75 77 A V E -HI 65 125B 0 50,-1.8 50,-0.7 -2,-0.3 2,-0.4 -0.999 7.8-169.6-133.7 136.7 18.4 16.0 21.7 76 78 A F E > -H 64 0B 13 -12,-3.5 -12,-2.6 -2,-0.4 3,-0.5 -0.977 16.2-143.2-128.9 118.4 19.3 17.8 24.9 77 79 A D E 3 S- 0 0 8 -2,-0.4 -14,-0.2 -14,-0.2 -15,-0.1 -0.500 73.0 -4.0 -82.8 147.1 19.4 15.8 28.2 78 80 A D E 3 S+ 0 0 53 -2,-0.2 -15,-0.2 -17,-0.1 -1,-0.2 0.841 77.3 148.8 43.9 51.0 18.3 17.1 31.6 79 81 A V E < + 0 0 12 -17,-2.0 -16,-0.2 -3,-0.5 12,-0.1 0.899 65.8 41.8 -79.4 -44.3 17.5 20.7 30.2 80 82 A V E S-H 62 0B 0 -18,-1.3 -18,-3.1 10,-0.1 -1,-0.2 -0.928 91.5-130.7-107.1 126.5 14.7 21.4 32.7 81 83 A P - 0 0 46 0, 0.0 3,-0.5 0, 0.0 -21,-0.2 -0.194 18.3-111.4 -75.9 166.7 15.3 20.3 36.2 82 84 A E S S+ 0 0 81 1,-0.3 2,-1.3 -22,-0.2 -22,-0.3 0.957 118.4 43.2 -56.3 -54.1 13.0 18.3 38.5 83 85 A K S S+ 0 0 167 -24,-0.1 -1,-0.3 2,-0.0 2,-0.1 -0.648 88.9 168.0 -96.3 75.8 12.5 21.3 40.8 84 86 A Y - 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