==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 27-JUL-98 1BMW . COMPND 2 MOLECULE: POLLEN ALLERGEN PHL P2; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR S.DE MARINO,M.A.C.MORELLI,F.FRATERNALI,E.TAMBORINO,S.VRTALA, . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 37.2 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 . 16 17.0 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 9 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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 . 1 1.1 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 . 5 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 184 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.9 2.7 11.7 25.4 2 2 A P + 0 0 101 0, 0.0 2,-0.1 0, 0.0 74,-0.0 -0.607 360.0 150.7 -75.5 111.1 3.3 14.1 28.3 3 3 A K + 0 0 172 -2,-0.7 2,-0.1 2,-0.0 90,-0.0 -0.583 13.7 159.2-143.1 75.6 7.1 14.1 29.0 4 4 A V - 0 0 5 90,-0.4 2,-0.3 -2,-0.1 17,-0.0 -0.405 16.5-167.3 -92.7 172.1 8.2 17.5 30.4 5 5 A T - 0 0 45 -2,-0.1 17,-1.4 88,-0.1 88,-0.1 -0.916 5.9-153.7-163.5 133.8 11.4 18.3 32.4 6 6 A F - 0 0 2 86,-0.3 86,-0.2 -2,-0.3 2,-0.2 -0.195 8.1-145.6 -95.6-169.9 12.6 21.2 34.4 7 7 A T - 0 0 28 84,-0.2 13,-1.7 -2,-0.1 2,-1.2 -0.680 19.5-126.2-165.8 104.9 16.2 22.4 35.2 8 8 A V - 0 0 2 82,-0.6 81,-0.3 11,-0.3 11,-0.3 -0.318 39.8-155.5 -55.2 91.8 17.3 24.0 38.4 9 9 A E > - 0 0 55 -2,-1.2 3,-1.5 43,-0.2 9,-0.4 -0.101 31.7 -97.2 -66.1 169.6 18.9 27.1 36.8 10 10 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 7,-0.1 -2,-0.1 0.658 105.8 96.5 -63.2 -15.3 21.6 29.1 38.5 11 11 A G T 3 + 0 0 10 2,-0.1 -1,-0.3 6,-0.0 2,-0.2 0.773 63.9 94.7 -46.0 -27.8 18.9 31.5 39.7 12 12 A S < + 0 0 12 -3,-1.5 5,-0.2 1,-0.1 76,-0.0 -0.506 42.8 125.3 -71.1 131.3 19.0 29.4 42.9 13 13 A N S S- 0 0 97 -2,-0.2 -1,-0.1 3,-0.2 -2,-0.1 0.194 76.9 -1.5-145.5 -86.6 21.3 31.0 45.5 14 14 A E S S- 0 0 161 1,-0.0 -2,-0.1 3,-0.0 0, 0.0 0.965 139.3 -25.1 -81.7 -66.8 20.1 31.8 49.1 15 15 A K S S+ 0 0 82 41,-0.0 41,-2.0 2,-0.0 2,-0.4 0.008 102.9 123.6-138.1 26.1 16.5 30.7 49.0 16 16 A H B -A 55 0A 62 39,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.738 42.1-162.1 -94.3 139.6 15.7 31.1 45.3 17 17 A L + 0 0 8 37,-1.3 2,-0.2 -2,-0.4 -7,-0.1 -0.804 15.8 178.1-124.3 89.2 14.3 28.1 43.3 18 18 A A - 0 0 0 -2,-0.5 2,-0.3 -9,-0.4 35,-0.2 -0.582 5.8-169.3 -90.3 153.4 14.8 28.7 39.6 19 19 A V B -B 52 0B 0 33,-1.2 33,-1.4 -11,-0.3 2,-0.5 -0.997 23.6-147.0-145.3 137.5 13.8 26.1 36.9 20 20 A L - 0 0 47 -13,-1.7 2,-0.4 -2,-0.3 -12,-0.1 -0.347 27.4-176.6 -98.7 51.6 14.5 25.9 33.2 21 21 A V + 0 0 14 -2,-0.5 -15,-0.2 31,-0.1 2,-0.2 -0.315 31.5 121.8 -53.6 107.6 11.2 24.3 32.3 22 22 A K + 0 0 116 -17,-1.4 -2,-0.1 -2,-0.4 5,-0.0 -0.735 26.2 164.2-174.5 120.7 11.5 23.7 28.6 23 23 A Y - 0 0 83 -2,-0.2 3,-0.1 3,-0.0 -2,-0.1 0.097 56.0-110.8-127.3 19.6 11.4 20.6 26.4 24 24 A E S S+ 0 0 173 1,-0.1 2,-0.8 2,-0.1 3,-0.1 0.467 88.3 60.4 60.4 147.9 11.0 22.2 23.0 25 25 A G S S+ 0 0 67 1,-0.3 -1,-0.1 -3,-0.0 0, 0.0 -0.823 90.1 58.8 109.1 -93.5 7.7 21.9 21.0 26 26 A D S S- 0 0 59 -2,-0.8 -1,-0.3 1,-0.1 2,-0.2 0.189 84.5-109.0 -57.5-173.4 4.9 23.4 23.1 27 27 A T - 0 0 68 -3,-0.1 2,-0.5 -5,-0.0 45,-0.2 -0.673 21.1-107.9-118.3 173.7 5.0 27.1 24.2 28 28 A M + 0 0 98 -2,-0.2 42,-0.1 42,-0.2 3,-0.1 -0.916 45.4 146.8-109.1 123.5 5.4 28.9 27.5 29 29 A A - 0 0 47 -2,-0.5 2,-0.3 1,-0.4 41,-0.2 0.723 65.6 -33.3-115.1 -62.6 2.4 30.6 29.1 30 30 A E - 0 0 80 2,-0.0 39,-2.3 15,-0.0 -1,-0.4 -0.972 50.0-140.7-158.9 164.2 2.7 30.4 32.9 31 31 A V - 0 0 7 -2,-0.3 13,-2.5 37,-0.3 2,-0.4 -0.992 3.5-158.6-138.7 145.4 4.0 28.2 35.6 32 32 A E E -C 43 0C 27 -2,-0.3 35,-1.1 11,-0.3 2,-0.3 -0.983 11.0-162.6-124.6 130.6 2.8 27.1 39.1 33 33 A L E +CD 42 66C 0 9,-2.1 9,-2.4 -2,-0.4 33,-0.2 -0.840 8.3 179.8-114.2 151.8 5.1 25.8 41.8 34 34 A R - 0 0 83 31,-1.9 31,-0.1 -2,-0.3 7,-0.1 -0.381 10.4-169.4-126.0-156.0 4.2 23.8 45.0 35 35 A E - 0 0 6 29,-0.2 -1,-0.1 -2,-0.1 6,-0.0 -0.064 50.1 -75.6-161.6 -88.5 6.1 22.3 47.9 36 36 A H S S- 0 0 110 4,-0.1 28,-0.1 26,-0.1 4,-0.0 0.278 107.7 -6.7-160.8 -46.7 4.6 20.0 50.5 37 37 A G S S+ 0 0 59 3,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.034 90.7 116.1-157.0 38.4 2.5 21.9 53.0 38 38 A S S S- 0 0 45 2,-0.1 3,-0.1 20,-0.0 -4,-0.0 0.986 94.8 -60.1 -73.6 -76.0 3.0 25.6 52.3 39 39 A D S S- 0 0 101 1,-0.5 -2,-0.0 3,-0.0 -1,-0.0 -0.095 81.8 -75.2-173.3 56.0 -0.5 26.8 51.2 40 40 A E S S- 0 0 161 2,-0.1 -1,-0.5 -4,-0.0 -4,-0.1 0.042 90.9 -19.2 67.8 176.3 -1.7 25.0 48.1 41 41 A W - 0 0 74 -3,-0.1 2,-0.5 -7,-0.1 -7,-0.2 -0.203 64.2-160.9 -52.7 138.6 -0.4 25.6 44.6 42 42 A V E -C 33 0C 31 -9,-2.4 -9,-2.1 0, 0.0 -1,-0.1 -0.946 20.9-120.1-131.0 110.7 1.4 29.0 44.2 43 43 A A E -C 32 0C 42 -2,-0.5 -11,-0.3 -11,-0.3 25,-0.0 -0.178 36.0-115.4 -48.7 131.4 1.9 30.5 40.8 44 44 A M - 0 0 16 -13,-2.5 2,-0.3 1,-0.1 10,-0.1 0.238 23.3-117.8 -55.2-171.3 5.6 31.0 40.1 45 45 A T B -F 53 0D 84 8,-1.1 2,-2.8 -15,-0.0 8,-1.2 -0.854 7.8-143.1-142.0 102.3 7.1 34.5 39.6 46 46 A K + 0 0 163 -2,-0.3 6,-0.1 1,-0.2 8,-0.0 -0.364 59.6 126.2 -64.6 76.2 8.7 35.4 36.3 47 47 A G + 0 0 62 -2,-2.8 -1,-0.2 4,-0.2 5,-0.1 0.621 60.6 62.6-107.1 -21.9 11.5 37.4 38.0 48 48 A E S S- 0 0 87 3,-0.8 4,-0.1 -3,-0.5 2,-0.1 0.836 91.7-143.0 -72.7 -33.4 14.4 35.7 36.3 49 49 A G S S+ 0 0 68 2,-0.7 -1,-0.1 1,-0.1 3,-0.1 -0.220 93.7 41.0 98.1 -42.4 13.3 36.8 32.9 50 50 A G S S+ 0 0 60 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.647 125.8 19.4-107.3 -25.1 14.4 33.6 31.2 51 51 A V S S- 0 0 10 -31,-0.1 -3,-0.8 -42,-0.0 -2,-0.7 -0.783 81.9 -99.0-136.5 179.0 13.2 31.2 33.9 52 52 A W B -B 19 0B 32 -33,-1.4 -33,-1.2 -2,-0.2 2,-0.2 -0.911 36.1-173.4-109.4 128.4 10.8 31.0 36.8 53 53 A T B -F 45 0D 17 -8,-1.2 -8,-1.1 -2,-0.5 2,-0.3 -0.700 8.6-154.0-114.7 167.9 12.1 31.4 40.4 54 54 A F - 0 0 21 -2,-0.2 -37,-1.3 -10,-0.1 2,-0.7 -0.988 12.2-137.5-146.7 133.2 10.4 31.0 43.8 55 55 A D B -A 16 0A 87 -2,-0.3 2,-0.2 -39,-0.2 -39,-0.2 -0.814 21.8-151.5 -94.6 114.3 11.2 32.6 47.2 56 56 A S + 0 0 14 -41,-2.0 5,-0.1 -2,-0.7 -2,-0.0 -0.573 18.4 179.1 -84.5 146.6 11.0 30.1 50.1 57 57 A E + 0 0 179 -2,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.710 57.6 82.3-113.1 -40.2 10.1 31.3 53.6 58 58 A E S S- 0 0 44 2,-0.1 -2,-0.0 1,-0.1 -20,-0.0 -0.315 80.5-126.2 -67.7 151.6 10.1 28.1 55.6 59 59 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.685 90.8 77.3 -71.7 -18.8 13.5 26.8 56.9 60 60 A L - 0 0 123 1,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.725 56.5-177.0 -96.3 144.1 12.8 23.4 55.2 61 61 A Q + 0 0 63 -2,-0.3 3,-0.1 -5,-0.1 -26,-0.0 -0.750 19.4 148.8-143.2 91.1 13.2 22.8 51.5 62 62 A G - 0 0 27 1,-0.3 -26,-0.1 -2,-0.3 20,-0.0 0.229 54.6 -28.6 -96.4-140.7 12.3 19.3 50.2 63 63 A P - 0 0 58 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.229 59.7-143.9 -73.9 166.4 10.8 18.2 46.8 64 64 A F - 0 0 2 18,-0.4 17,-1.2 -3,-0.1 16,-0.4 -0.708 3.4-144.3-125.2 177.5 8.6 20.4 44.6 65 65 A N - 0 0 9 -2,-0.2 -31,-1.9 14,-0.1 2,-0.3 -0.990 14.5-171.0-147.4 134.6 5.7 20.1 42.3 66 66 A F B +DE 33 78C 0 12,-0.8 12,-1.6 -2,-0.3 -33,-0.2 -0.787 17.4 175.6-124.2 168.5 4.8 22.0 39.1 67 67 A R - 0 0 64 -35,-1.1 10,-0.2 -2,-0.3 -34,-0.1 -0.278 20.6-165.4-170.9 68.4 1.9 22.3 36.7 68 68 A F - 0 0 14 8,-0.3 8,-0.5 -37,-0.1 -37,-0.3 0.169 19.0-135.0 -51.8 177.8 2.6 24.8 33.9 69 69 A L E -G 75 0E 48 -39,-2.3 6,-0.2 6,-0.1 -38,-0.1 -0.412 25.9-148.8-138.0 55.8 -0.2 26.2 31.7 70 70 A T E >> -G 74 0E 8 4,-0.9 3,-2.3 -41,-0.2 4,-0.6 0.185 22.9-116.7 -28.0 136.8 1.4 26.1 28.2 71 71 A E T 34 S+ 0 0 122 1,-0.3 -1,-0.2 2,-0.2 -43,-0.1 0.804 117.0 64.5 -50.8 -31.2 0.2 28.8 25.9 72 72 A K T 34 S- 0 0 136 -45,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.823 122.6-105.5 -63.2 -31.7 -1.3 26.0 23.8 73 73 A G T <4 S+ 0 0 49 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.837 74.3 127.1 103.2 62.3 -3.6 25.2 26.7 74 74 A M E < -G 70 0E 106 -4,-0.6 -4,-0.9 2,-0.0 -1,-0.2 -0.885 28.7-180.0-152.2 115.3 -2.4 22.0 28.4 75 75 A K E +G 69 0E 121 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.524 3.8 171.4-107.7 176.8 -1.6 21.5 32.0 76 76 A N - 0 0 77 -8,-0.5 -8,-0.3 -2,-0.2 2,-0.1 -0.654 28.7-121.0 173.2 126.9 -0.3 18.6 34.1 77 77 A V - 0 0 74 -2,-0.2 2,-0.4 -10,-0.2 -10,-0.2 -0.410 22.2-157.2 -76.2 152.8 0.8 18.1 37.7 78 78 A F B -E 66 0C 12 -12,-1.6 -12,-0.8 -2,-0.1 3,-0.3 -0.977 6.8-169.3-136.9 121.1 4.3 16.8 38.5 79 79 A D S S+ 0 0 108 -2,-0.4 -14,-0.1 1,-0.2 -2,-0.0 -0.789 70.4 17.4-109.5 153.0 5.4 15.1 41.7 80 80 A D S S+ 0 0 130 -16,-0.4 -1,-0.2 -2,-0.3 -15,-0.1 0.810 80.0 145.6 59.5 30.5 8.8 14.2 42.9 81 81 A V + 0 0 4 -17,-1.2 -16,-0.1 -3,-0.3 -2,-0.1 0.997 61.2 33.9 -59.8 -73.8 10.2 16.7 40.4 82 82 A V S S- 0 0 1 -18,-0.2 -18,-0.4 1,-0.1 -1,-0.1 -0.666 85.7-132.0 -87.5 139.3 13.2 18.0 42.3 83 83 A P - 0 0 47 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.099 28.2 -95.7 -73.8-168.1 15.1 15.7 44.7 84 84 A E S S+ 0 0 164 1,-0.2 2,-0.9 -21,-0.1 -2,-0.0 0.981 119.6 28.4 -76.1 -64.1 16.2 16.4 48.3 85 85 A K S S- 0 0 190 2,-0.0 -1,-0.2 -3,-0.0 -23,-0.1 -0.425 89.3-174.5 -96.4 57.7 19.8 17.5 47.8 86 86 A Y - 0 0 57 -2,-0.9 2,-0.5 -3,-0.5 -4,-0.0 -0.120 15.2-141.9 -51.8 148.9 19.2 19.0 44.3 87 87 A T - 0 0 99 0, 0.0 2,-0.5 0, 0.0 -79,-0.1 -0.944 18.1-120.9-122.9 110.2 22.3 20.2 42.5 88 88 A I S S+ 0 0 78 -2,-0.5 -79,-0.1 1,-0.2 3,-0.1 -0.266 98.5 55.9 -50.5 101.0 22.0 23.4 40.4 89 89 A G S S+ 0 0 70 -2,-0.5 2,-0.3 -81,-0.3 -1,-0.2 0.509 93.3 65.1 137.5 44.9 23.1 22.0 37.0 90 90 A A S S- 0 0 36 -82,-0.3 -82,-0.6 2,-0.0 2,-0.4 -0.940 75.2 -93.5-166.5-176.8 20.8 19.1 36.2 91 91 A T + 0 0 78 -2,-0.3 2,-0.3 -84,-0.2 -84,-0.2 -0.943 29.2 176.9-119.7 138.7 17.3 17.9 35.4 92 92 A Y + 0 0 42 -2,-0.4 -86,-0.3 -86,-0.2 -85,-0.1 -0.884 37.2 80.8-144.0 107.7 14.7 16.6 37.8 93 93 A A 0 0 33 -2,-0.3 -88,-0.1 -88,-0.1 -12,-0.1 -0.969 360.0 360.0 176.3 178.0 11.1 15.7 36.7 94 94 A P 0 0 74 0, 0.0 -90,-0.4 0, 0.0 -2,-0.1 -0.670 360.0 360.0 -78.2 360.0 8.9 13.1 35.0