==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 12-JAN-09 3FT9 . COMPND 2 MOLECULE: PHL P 3 ALLERGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR W.KELLER,S.C.DEVANABOYINA . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5337.0 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 . 39 41.5 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 . 1 1.1 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 . 13 13.8 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 2 1 1 1 2 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 2 A V 0 0 97 0, 0.0 2,-0.3 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 73.7 -4.0 -0.7 6.5 2 3 A Q E -A 23 0A 111 21,-2.2 21,-2.1 2,-0.0 2,-0.4 -0.873 360.0-169.4-133.3 139.7 -2.8 -1.5 3.0 3 4 A V E -A 22 0A 5 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.988 4.0-177.8-138.3 136.0 -4.3 -2.5 -0.3 4 5 A T E -A 21 0A 27 17,-1.6 17,-2.0 -2,-0.4 2,-0.4 -0.891 10.6-157.7-120.1 156.8 -2.9 -3.7 -3.5 5 6 A F E -AB 20 92A 0 87,-2.4 87,-2.0 -2,-0.3 2,-0.5 -0.988 4.8-165.8-131.5 118.2 -5.0 -4.5 -6.7 6 7 A T E -AB 19 91A 24 13,-2.4 13,-2.4 -2,-0.4 2,-0.3 -0.944 24.4-125.3-104.5 125.2 -3.5 -6.8 -9.3 7 8 A V E -A 18 0A 0 83,-2.2 82,-2.8 -2,-0.5 2,-0.3 -0.521 29.8-142.9 -67.3 126.5 -5.3 -6.8 -12.7 8 9 A Q > - 0 0 60 9,-3.7 3,-2.0 -2,-0.3 9,-0.4 -0.711 21.7 -98.9 -96.6 146.0 -6.3 -10.4 -13.6 9 10 A K T 3 S+ 0 0 169 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.267 112.7 55.5 -49.5 137.8 -6.3 -12.0 -17.0 10 11 A G T 3 S+ 0 0 45 1,-0.5 -1,-0.3 -3,-0.1 2,-0.1 0.191 79.0 118.9 108.4 -19.8 -9.9 -11.8 -18.1 11 12 A S < + 0 0 13 -3,-2.0 -1,-0.5 6,-0.2 5,-0.2 -0.454 35.4 165.9 -73.8 155.5 -10.0 -8.0 -17.6 12 13 A D B > -C 15 0A 62 3,-2.6 3,-1.9 -2,-0.1 5,-0.0 -0.877 55.8 -72.7-154.4-178.8 -10.8 -6.0 -20.8 13 14 A P T 3 S+ 0 0 90 0, 0.0 47,-2.7 0, 0.0 3,-0.1 0.660 134.2 36.5 -58.3 -20.7 -11.9 -2.3 -21.5 14 15 A K T 3 S+ 0 0 87 45,-0.2 42,-2.4 1,-0.2 2,-0.3 0.344 119.3 50.7-108.5 4.3 -15.3 -3.0 -20.2 15 16 A K E < -CD 12 55A 61 -3,-1.9 -3,-2.6 40,-0.2 2,-0.5 -0.937 57.6-165.2-151.0 114.7 -14.4 -5.3 -17.4 16 17 A L E - D 0 54A 0 38,-2.4 38,-1.6 -2,-0.3 2,-0.5 -0.910 3.7-172.6-104.8 131.6 -11.9 -5.2 -14.5 17 18 A V E - D 0 53A 14 -2,-0.5 -9,-3.7 -9,-0.4 2,-0.4 -0.986 17.1-175.3-120.7 124.4 -11.1 -8.4 -12.6 18 19 A L E -AD 7 52A 0 34,-2.1 34,-2.9 -2,-0.5 2,-0.8 -0.972 30.1-147.7-131.0 131.7 -8.9 -7.6 -9.6 19 20 A D E -A 6 0A 39 -13,-2.4 -13,-2.4 -2,-0.4 2,-0.6 -0.874 30.7-165.6 -90.7 116.5 -7.1 -9.6 -7.0 20 21 A I E -A 5 0A 7 -2,-0.8 2,-0.7 30,-0.3 -15,-0.2 -0.892 12.1-162.4-112.6 116.9 -7.3 -7.3 -4.1 21 22 A K E -A 4 0A 117 -17,-2.0 -17,-1.6 -2,-0.6 2,-0.6 -0.910 12.0-173.0-101.8 116.8 -5.1 -7.9 -1.0 22 23 A Y E -A 3 0A 32 -2,-0.7 2,-0.5 -19,-0.2 7,-0.3 -0.918 4.7-174.9-115.0 104.2 -6.5 -6.0 1.9 23 24 A T E +A 2 0A 80 -21,-2.1 -21,-2.2 -2,-0.6 5,-0.1 -0.884 20.7 145.5 -97.6 121.4 -4.5 -5.9 5.2 24 25 A R > - 0 0 45 -2,-0.5 3,-2.2 3,-0.4 -2,-0.0 -0.763 51.1-118.2-150.5 96.9 -6.0 -4.2 8.2 25 26 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.132 95.4 7.8 -45.1 127.0 -5.1 -5.8 11.5 26 27 A G T 3 S+ 0 0 96 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.381 125.0 61.5 86.6 -0.7 -8.2 -7.2 13.4 27 28 A D < - 0 0 36 -3,-2.2 -3,-0.4 44,-0.1 2,-0.3 -0.786 62.1-158.7-139.9 178.1 -10.6 -6.6 10.5 28 29 A S - 0 0 43 -2,-0.2 43,-3.9 -5,-0.1 44,-0.4 -0.980 33.1 -70.3-164.3 174.7 -11.1 -7.6 6.9 29 30 A L E +F 70 0B 29 -2,-0.3 41,-0.3 -7,-0.3 3,-0.1 -0.318 39.7 161.1 -76.8 143.4 -12.7 -6.6 3.6 30 31 A A E + 0 0 47 39,-2.7 2,-0.3 1,-0.5 40,-0.2 0.523 65.0 10.6-120.7 -41.6 -16.5 -6.7 3.1 31 32 A E E -F 69 0B 84 38,-2.5 38,-2.0 15,-0.0 -1,-0.5 -0.998 52.0-168.2-144.4 152.3 -17.2 -4.5 0.1 32 33 A V E -F 68 0B 1 13,-0.4 13,-2.8 -2,-0.3 2,-0.3 -0.993 7.5-172.4-139.8 138.9 -15.3 -2.6 -2.8 33 34 A E E -FG 67 44B 18 34,-2.6 34,-1.9 -2,-0.3 2,-0.4 -0.981 11.7-146.7-128.9 148.2 -16.6 -0.0 -5.2 34 35 A L E -FG 66 43B 0 9,-2.9 9,-3.3 -2,-0.3 2,-0.4 -0.845 6.6-164.2-104.4 144.9 -15.1 1.6 -8.3 35 36 A R E -F 65 0B 60 30,-2.5 30,-2.1 -2,-0.4 7,-0.1 -0.982 19.7-133.3-125.3 124.4 -15.8 5.2 -9.4 36 37 A Q > - 0 0 28 -2,-0.4 3,-2.0 5,-0.4 26,-0.2 -0.234 41.2 -75.3 -71.1 157.9 -14.8 6.1 -13.0 37 38 A H T 3 S+ 0 0 107 24,-2.4 -1,-0.2 1,-0.3 3,-0.1 -0.359 118.2 1.4 -56.3 127.9 -12.9 9.4 -13.8 38 39 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.725 106.1 125.9 66.6 25.5 -15.1 12.3 -13.5 39 40 A S < - 0 0 22 -3,-2.0 -1,-0.2 22,-0.1 0, 0.0 -0.831 53.1-151.9-120.9 153.7 -18.1 10.3 -12.5 40 41 A E + 0 0 153 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.716 66.0 90.8 -99.1 -20.9 -20.4 10.5 -9.5 41 42 A E - 0 0 100 1,-0.0 2,-0.6 2,-0.0 -5,-0.4 -0.594 64.0-141.6 -81.4 138.3 -21.5 6.8 -9.0 42 43 A W - 0 0 55 -2,-0.3 -7,-0.2 -7,-0.1 24,-0.1 -0.814 20.1-156.3 -83.6 119.4 -19.9 4.3 -6.9 43 44 A E E -G 34 0B 39 -9,-3.3 -9,-2.9 -2,-0.6 -2,-0.0 -0.909 14.8-128.4-105.2 108.5 -20.1 1.0 -8.8 44 45 A P E -G 33 0B 85 0, 0.0 2,-0.4 0, 0.0 -11,-0.3 -0.214 11.5-140.4 -54.3 139.2 -19.9 -2.2 -6.6 45 46 A L - 0 0 10 -13,-2.8 -13,-0.4 9,-0.1 2,-0.4 -0.800 18.6-137.4 -88.6 147.7 -17.4 -4.9 -7.5 46 47 A T E -E 53 0A 75 7,-3.0 7,-3.0 -2,-0.4 2,-0.5 -0.870 14.4-121.4-111.1 137.0 -18.8 -8.4 -7.0 47 48 A K E -E 52 0A 115 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.660 30.9-179.1 -78.3 121.7 -16.7 -11.0 -5.4 48 49 A K E > -E 51 0A 107 3,-3.1 3,-1.3 -2,-0.5 2,-0.7 -0.911 67.2 -40.7-120.4 100.8 -16.3 -13.9 -7.9 49 50 A G T 3 S- 0 0 75 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.685 122.6 -31.3 82.5-122.2 -14.3 -16.7 -6.3 50 51 A N T 3 S+ 0 0 110 -2,-0.7 -30,-0.3 -3,-0.1 -1,-0.2 0.213 128.7 73.6-118.1 13.1 -11.5 -14.9 -4.5 51 52 A V E < S- E 0 48A 22 -3,-1.3 -3,-3.1 -32,-0.1 2,-0.4 -0.726 74.8-124.0-118.3 173.0 -11.3 -11.9 -7.0 52 53 A W E -DE 18 47A 18 -34,-2.9 -34,-2.1 -5,-0.2 2,-0.4 -0.932 23.0-166.9-124.2 139.9 -13.5 -9.0 -7.5 53 54 A E E -DE 17 46A 30 -7,-3.0 -7,-3.0 -2,-0.4 2,-0.4 -0.961 14.5-179.1-135.8 146.2 -15.2 -7.9 -10.7 54 55 A V E -D 16 0A 8 -38,-1.6 -38,-2.4 -2,-0.4 2,-0.3 -0.991 14.1-164.7-135.2 133.2 -17.0 -4.9 -12.2 55 56 A K E -D 15 0A 154 -2,-0.4 2,-0.3 -40,-0.2 -40,-0.2 -0.740 1.2-164.8-116.1 152.0 -18.5 -4.7 -15.8 56 57 A S - 0 0 27 -42,-2.4 4,-0.1 -2,-0.3 -2,-0.0 -0.977 27.6-138.2-132.4 148.8 -19.6 -1.9 -17.8 57 58 A S S S+ 0 0 104 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.763 99.0 42.2 -72.0 -27.4 -21.8 -1.6 -21.0 58 59 A K S S- 0 0 149 1,-0.1 3,-0.1 -44,-0.1 -2,-0.0 -0.733 111.0 -78.9-107.8 163.6 -19.2 1.1 -22.2 59 60 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -45,-0.2 -0.292 56.3-108.6 -55.1 148.3 -15.4 1.1 -21.9 60 61 A L - 0 0 6 -47,-2.7 2,-0.5 24,-0.1 -45,-0.1 -0.667 29.0-142.6 -82.6 141.5 -14.4 2.1 -18.4 61 62 A V - 0 0 75 -2,-0.3 -24,-2.4 -24,-0.1 -22,-0.1 -0.936 37.9-117.6-110.5 122.7 -12.8 5.6 -18.1 62 63 A G S S+ 0 0 8 -2,-0.5 2,-0.2 -26,-0.2 -26,-0.1 -0.320 80.2 71.9-107.9-166.2 -10.0 6.1 -15.6 63 64 A P S S- 0 0 37 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.550 78.1-138.0 -65.5 157.1 -7.8 6.6 -13.7 64 65 A F E - H 0 82B 0 18,-3.1 17,-2.1 -2,-0.2 18,-0.9 -0.691 14.0-152.1 -99.7 141.8 -10.1 4.6 -11.4 65 66 A N E -F 35 0B 1 -30,-2.1 -30,-2.5 -2,-0.3 2,-0.3 -0.783 10.2-156.4-104.0 157.0 -10.9 5.3 -7.8 66 67 A F E -FH 34 78B 0 12,-2.6 12,-3.2 -2,-0.3 2,-0.3 -0.947 9.1-164.6-136.1 144.5 -11.9 2.8 -5.2 67 68 A R E -FH 33 77B 66 -34,-1.9 -34,-2.6 -2,-0.3 2,-0.3 -0.975 14.7-162.7-128.1 139.1 -13.8 2.9 -1.9 68 69 A F E -FH 32 76B 0 8,-2.2 8,-1.6 -2,-0.3 2,-0.4 -0.883 11.5-162.5-123.0 149.6 -13.7 -0.1 0.6 69 70 A M E -FH 31 75B 51 -38,-2.0 -39,-2.7 -2,-0.3 -38,-2.5 -0.971 17.2-148.9-128.1 122.2 -15.9 -1.1 3.6 70 71 A S E > -F 29 0B 2 4,-1.7 3,-1.7 -2,-0.4 -41,-0.3 -0.550 30.2-110.3 -82.4 160.9 -14.3 -3.6 6.1 71 72 A K T 3 S+ 0 0 165 -43,-3.9 -42,-0.1 1,-0.3 -1,-0.1 0.882 122.4 61.3 -59.4 -30.0 -16.4 -6.2 8.1 72 73 A G T 3 S- 0 0 55 -44,-0.4 -1,-0.3 2,-0.1 -43,-0.1 0.540 123.0-105.8 -68.8 -11.5 -15.4 -3.8 11.0 73 74 A G S < S+ 0 0 48 -3,-1.7 2,-0.5 1,-0.3 -2,-0.1 0.544 72.5 142.5 97.9 5.6 -17.2 -0.8 9.5 74 75 A M - 0 0 97 2,-0.0 -4,-1.7 0, 0.0 2,-0.4 -0.731 31.6-163.4 -87.0 128.7 -14.0 1.0 8.4 75 76 A R E -H 69 0B 88 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.879 9.5-179.9-116.0 132.1 -14.2 2.8 5.1 76 77 A N E -H 68 0B 43 -8,-1.6 -8,-2.2 -2,-0.4 2,-0.4 -0.958 12.9-156.0-129.9 154.7 -11.4 4.1 2.9 77 78 A V E -H 67 0B 73 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.999 9.2-170.2-128.8 128.0 -11.3 5.9 -0.4 78 79 A F E -H 66 0B 40 -12,-3.2 -12,-2.6 -2,-0.4 3,-0.4 -0.983 11.5-150.3-123.9 126.7 -8.3 5.7 -2.7 79 80 A D E + 0 0 80 -2,-0.5 -14,-0.2 -14,-0.2 -15,-0.1 -0.712 66.8 4.2-100.9 149.9 -8.0 8.0 -5.7 80 81 A E E S+ 0 0 103 -2,-0.3 -15,-0.2 -17,-0.2 -1,-0.2 0.816 75.5 149.1 55.0 41.1 -6.3 7.5 -9.1 81 82 A V E + 0 0 12 -17,-2.1 12,-0.2 -3,-0.4 -16,-0.1 0.890 62.0 25.3 -76.8 -41.0 -5.3 3.9 -8.3 82 83 A I E S-H 64 0B 0 -18,-0.9 -18,-3.1 10,-0.1 -1,-0.2 -0.979 77.8-130.5-132.6 127.4 -5.3 2.3 -11.8 83 84 A P - 0 0 57 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.417 28.0-110.8 -71.8 159.4 -4.9 4.2 -15.2 84 85 A T S S+ 0 0 69 1,-0.3 2,-2.4 -2,-0.1 -24,-0.1 0.953 116.8 58.5 -51.1 -47.6 -7.3 3.6 -18.0 85 86 A A S S+ 0 0 90 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 -0.448 83.4 167.3 -85.9 68.3 -4.6 1.8 -19.9 86 87 A F - 0 0 34 -2,-2.4 2,-0.5 -3,-0.2 -4,-0.0 -0.412 29.1-127.2 -80.0 165.1 -4.0 -0.8 -17.3 87 88 A S > - 0 0 64 -2,-0.1 3,-2.7 4,-0.0 -80,-0.4 -0.920 18.6-114.7-122.4 136.3 -2.0 -3.8 -17.8 88 89 A I T 3 S+ 0 0 64 -2,-0.5 -80,-0.2 1,-0.3 3,-0.1 -0.310 102.1 15.0 -57.2 135.4 -3.0 -7.4 -17.1 89 90 A G T 3 S+ 0 0 51 -82,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.358 95.4 126.5 80.8 -3.6 -1.0 -8.9 -14.4 90 91 A K < - 0 0 113 -3,-2.7 -83,-2.2 -82,-0.0 2,-0.3 -0.600 54.8-132.4 -83.3 145.8 0.4 -5.6 -13.1 91 92 A T E -B 6 0A 72 -85,-0.2 2,-0.3 -2,-0.2 -85,-0.2 -0.779 19.7-167.0-102.1 146.4 0.0 -4.6 -9.4 92 93 A Y E -B 5 0A 22 -87,-2.0 -87,-2.4 -2,-0.3 -10,-0.1 -0.981 4.0-172.2-139.8 140.2 -1.3 -1.2 -8.3 93 94 A K 0 0 126 -2,-0.3 -89,-0.2 -12,-0.2 -2,-0.0 -0.999 360.0 360.0-142.6 132.8 -1.2 0.4 -4.9 94 95 A P 0 0 69 0, 0.0 -91,-0.1 0, 0.0 -14,-0.1 -0.338 360.0 360.0 -78.3 360.0 -2.8 3.7 -3.7