==== 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 09-FEB-05 2BK0 . COMPND 2 MOLECULE: MAJOR ALLERGEN API G 1; . SOURCE 2 ORGANISM_SCIENTIFIC: APIUM GRAVEOLENS; . AUTHOR T.SCHIRMER,K.HOFFMANN-SOMMERGRUBER,H.BREITENEDER, Z.MARKOVIC . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 75.5 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 . 106 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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-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 . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 0 0 0 0 4 2 2 0 0 2 2 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 0 0 0 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 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 G 0 0 46 0, 0.0 120,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-168.4 47.5 -12.4 6.4 2 3 A V E -A 120 0A 103 118,-0.2 2,-0.4 122,-0.0 118,-0.2 -0.996 360.0-178.8-137.2 131.6 48.1 -9.6 9.0 3 4 A Q E -A 119 0A 38 116,-1.8 116,-2.1 -2,-0.4 2,-0.4 -0.996 11.9-151.9-134.4 136.5 47.2 -5.8 8.8 4 5 A T E +A 118 0A 82 -2,-0.4 2,-0.4 114,-0.2 114,-0.2 -0.885 12.2 179.2-112.1 134.7 47.9 -3.1 11.4 5 6 A H E -A 117 0A 58 112,-2.7 112,-3.0 -2,-0.4 2,-0.4 -1.000 9.7-159.8-133.1 138.9 45.9 0.1 12.0 6 7 A V E -A 116 0A 70 -2,-0.4 2,-0.4 110,-0.2 110,-0.2 -0.908 5.2-170.2-117.0 141.6 46.7 2.8 14.7 7 8 A L E -A 115 0A 28 108,-2.6 108,-2.8 -2,-0.4 2,-0.4 -0.999 5.2-164.5-130.8 131.4 44.5 5.4 16.2 8 9 A E E -A 114 0A 111 -2,-0.4 2,-0.4 106,-0.2 106,-0.2 -0.961 5.1-173.9-122.4 132.0 45.7 8.2 18.5 9 10 A L E -A 113 0A 25 104,-2.3 104,-3.3 -2,-0.4 2,-0.5 -0.975 9.1-157.3-130.4 122.1 43.5 10.4 20.7 10 11 A T E +A 112 0A 113 -2,-0.4 2,-0.3 102,-0.2 102,-0.2 -0.869 16.3 178.9-101.6 133.8 44.5 13.4 22.7 11 12 A S E -A 111 0A 10 100,-2.1 100,-1.7 -2,-0.5 4,-0.1 -0.842 38.3-129.8-122.7 163.4 42.3 14.4 25.7 12 13 A S S S+ 0 0 92 -2,-0.3 2,-0.3 98,-0.2 100,-0.1 0.167 84.3 97.4 -93.4 16.6 42.6 17.2 28.3 13 14 A V S S- 0 0 5 98,-0.1 -2,-0.2 1,-0.1 250,-0.1 -0.820 84.3 -99.3-107.6 145.6 42.1 14.5 30.9 14 15 A S > - 0 0 18 -2,-0.3 4,-2.2 248,-0.2 97,-0.2 -0.225 24.5-123.5 -62.3 149.1 44.9 12.8 32.9 15 16 A A H > S+ 0 0 0 95,-0.5 4,-2.8 246,-0.3 5,-0.3 0.869 113.0 54.3 -60.5 -40.8 46.1 9.3 31.9 16 17 A E H > S+ 0 0 101 245,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.923 110.5 46.6 -54.8 -48.3 45.3 8.0 35.4 17 18 A K H > S+ 0 0 73 244,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.840 116.5 42.4 -69.8 -37.5 41.7 9.3 35.1 18 19 A I H X S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.966 112.0 52.4 -73.3 -55.1 41.1 7.9 31.6 19 20 A F H X>S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 5,-1.2 0.868 111.2 51.8 -46.1 -41.3 42.8 4.6 32.2 20 21 A Q H <>S+ 0 0 94 -4,-1.9 5,-3.3 -5,-0.3 6,-0.3 0.958 115.8 36.5 -60.0 -55.6 40.5 4.3 35.2 21 22 A G H <5S+ 0 0 4 -4,-1.8 8,-0.2 1,-0.2 -2,-0.2 0.752 122.6 45.5 -71.5 -25.6 37.2 5.1 33.4 22 23 A F H <5S+ 0 0 52 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.713 131.8 7.7 -92.5 -23.4 38.2 3.2 30.2 23 24 A V T <5S+ 0 0 19 -4,-1.7 4,-0.2 -5,-0.3 3,-0.2 0.717 129.0 37.4-126.0 -59.2 39.6 0.0 31.7 24 25 A I T > + 0 0 19 1,-0.3 4,-2.7 -6,-0.3 -1,-0.1 0.827 69.0 60.0 -62.6 -36.0 34.5 0.7 32.3 27 28 A D H 34 S+ 0 0 76 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.617 116.4 36.6 -68.7 -12.9 31.7 -1.7 33.1 28 29 A T H <> S+ 0 0 77 -3,-1.5 4,-0.8 -7,-0.1 -2,-0.2 0.675 119.8 45.7-104.4 -31.4 30.3 1.0 35.4 29 30 A V H X S+ 0 0 12 -4,-2.1 4,-2.7 -8,-0.2 5,-0.3 0.884 101.7 63.3 -85.7 -41.6 31.2 4.1 33.4 30 31 A L H X S+ 0 0 38 -4,-2.7 4,-3.1 1,-0.2 7,-0.2 0.943 105.4 45.3 -42.8 -59.4 30.1 3.0 29.9 31 32 A P H 4 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.827 117.0 44.3 -64.4 -34.3 26.4 2.7 30.9 32 33 A K H < S+ 0 0 127 -4,-0.8 -2,-0.2 2,-0.1 -3,-0.1 0.871 121.8 37.9 -71.0 -39.2 26.3 6.0 32.8 33 34 A A H < S+ 0 0 24 -4,-2.7 -3,-0.2 1,-0.2 -1,-0.1 0.759 135.8 10.8 -89.4 -29.1 28.2 7.9 30.1 34 35 A A >< + 0 0 14 -4,-3.1 3,-0.8 -5,-0.3 4,-0.3 -0.570 64.2 169.0-154.4 78.8 26.8 6.4 26.9 35 36 A P G > S+ 0 0 90 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.883 78.4 49.5 -65.6 -41.7 23.8 4.2 27.5 36 37 A G G 3 S+ 0 0 62 1,-0.2 -2,-0.0 -5,-0.0 3,-0.0 0.478 85.5 87.7 -79.3 -3.9 22.7 3.8 23.8 37 38 A A G < S+ 0 0 40 -3,-0.8 2,-0.2 -7,-0.2 -1,-0.2 0.791 104.0 10.4 -64.3 -28.4 26.2 2.8 22.6 38 39 A Y < - 0 0 58 -3,-0.9 19,-0.2 -4,-0.3 3,-0.1 -0.774 59.4-147.1-140.3-174.6 25.3 -0.8 23.5 39 40 A K S S+ 0 0 112 17,-2.5 2,-0.3 1,-0.4 18,-0.2 0.675 71.3 0.5-128.0 -44.6 22.4 -3.0 24.5 40 41 A S E -B 56 0A 48 16,-1.1 16,-1.7 2,-0.0 -1,-0.4 -0.981 51.9-161.5-151.8 158.1 23.4 -5.9 26.8 41 42 A V E -B 55 0A 59 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.972 8.3-177.2-147.0 130.0 26.5 -7.3 28.5 42 43 A E E -B 54 0A 137 12,-1.8 12,-2.1 -2,-0.3 2,-0.5 -0.983 14.5-164.7-113.9 138.0 27.4 -10.6 30.1 43 44 A I E -B 53 0A 65 -2,-0.4 2,-0.7 10,-0.2 10,-0.2 -0.936 4.6-170.4-125.9 106.8 30.9 -10.7 31.7 44 45 A K E +B 52 0A 131 8,-1.3 8,-2.8 -2,-0.5 2,-0.2 -0.880 57.6 39.4 -98.0 112.0 32.4 -14.2 32.6 45 46 A G S S- 0 0 49 -2,-0.7 5,-0.1 6,-0.2 -2,-0.0 -0.543 93.2 -84.0 131.5 161.6 35.6 -13.7 34.7 46 47 A D S S- 0 0 152 -2,-0.2 -1,-0.1 3,-0.2 4,-0.1 0.892 72.0 -95.8 -63.8 -42.7 36.9 -11.5 37.5 47 48 A G S S+ 0 0 32 1,-0.5 3,-0.1 2,-0.1 4,-0.1 -0.105 95.3 88.0 150.8 -40.8 38.0 -8.7 35.3 48 49 A G S > S- 0 0 21 1,-0.2 3,-1.9 2,-0.1 -1,-0.5 0.067 92.8 -25.4 -73.5-172.6 41.7 -9.4 34.7 49 50 A P T 3 S+ 0 0 88 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 0.047 129.3 28.2 -40.1 137.5 43.3 -11.6 32.0 50 51 A G T 3 S+ 0 0 54 20,-3.0 21,-0.1 1,-0.3 2,-0.1 0.092 85.1 139.0 96.5 -20.0 41.1 -14.3 30.6 51 52 A T < - 0 0 2 -3,-1.9 19,-1.7 19,-0.2 2,-0.4 -0.340 42.0-146.6 -66.9 132.7 37.9 -12.4 31.3 52 53 A L E -BC 44 69A 48 -8,-2.8 -8,-1.3 17,-0.2 2,-0.5 -0.817 11.2-167.8-100.5 138.7 35.2 -12.6 28.5 53 54 A K E -BC 43 68A 26 15,-2.5 15,-2.0 -2,-0.4 2,-0.7 -0.898 5.2-163.5-126.8 101.3 32.8 -9.7 27.7 54 55 A I E -BC 42 67A 53 -12,-2.1 -12,-1.8 -2,-0.5 2,-0.3 -0.773 17.2-168.5 -84.3 116.3 30.0 -10.7 25.4 55 56 A I E -BC 41 66A 26 11,-2.6 11,-1.5 -2,-0.7 2,-0.4 -0.793 14.6-158.9-110.4 148.1 28.5 -7.5 24.0 56 57 A T E -BC 40 65A 39 -16,-1.7 -17,-2.5 -2,-0.3 -16,-1.1 -0.992 15.5-144.8-124.8 136.5 25.2 -6.9 22.1 57 58 A L - 0 0 38 7,-2.7 -19,-0.2 -2,-0.4 4,-0.1 -0.538 35.7 -70.0-100.3 162.3 24.7 -3.8 19.9 58 59 A P > - 0 0 60 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 -0.111 51.9-111.2 -50.2 149.3 21.6 -1.6 19.1 59 60 A D T 3 S+ 0 0 134 1,-0.2 2,-1.1 -3,-0.1 -2,-0.1 0.892 104.6 48.8 -51.0 -58.9 19.0 -3.3 17.0 60 61 A G T 3 S+ 0 0 87 4,-0.0 -1,-0.2 0, 0.0 4,-0.1 -0.213 90.3 100.3 -90.7 47.1 19.1 -1.4 13.7 61 62 A G S < S- 0 0 40 -2,-1.1 -4,-0.0 -3,-0.8 3,-0.0 -0.562 79.5-105.4-117.1 179.8 22.8 -1.4 13.0 62 63 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.975 102.8 44.9 -66.5 -60.0 25.4 -3.3 10.8 63 64 A I + 0 0 37 1,-0.1 -2,-0.2 -3,-0.0 3,-0.1 -0.649 57.3 178.7 -93.2 145.7 27.0 -5.4 13.5 64 65 A T + 0 0 67 1,-0.3 -7,-2.7 -2,-0.3 2,-0.3 0.738 61.6 24.7-113.3 -40.8 25.0 -7.2 16.2 65 66 A T E +C 56 0A 44 -9,-0.2 24,-0.9 2,-0.0 -1,-0.3 -0.932 49.9 170.5-133.8 150.4 27.5 -9.1 18.4 66 67 A M E -C 55 0A 44 -11,-1.5 -11,-2.6 -2,-0.3 2,-0.4 -0.916 16.0-152.7-156.6 140.0 31.1 -8.9 19.5 67 68 A T E -CD 54 86A 11 19,-2.3 18,-1.9 -2,-0.3 19,-0.9 -0.958 11.4-158.7-117.2 131.9 33.1 -10.9 22.2 68 69 A L E -CD 53 84A 26 -15,-2.0 -15,-2.5 -2,-0.4 2,-0.4 -0.884 6.3-162.3-112.1 138.0 36.1 -9.5 23.9 69 70 A R E -CD 52 83A 95 14,-2.6 14,-2.1 -2,-0.4 2,-0.6 -0.945 19.9-135.1-108.6 136.7 38.9 -11.3 25.7 70 71 A I E + D 0 82A 12 -19,-1.7 -20,-3.0 -2,-0.4 12,-0.3 -0.863 24.3 177.5 -91.7 124.4 41.1 -9.3 28.1 71 72 A D E - 0 0 67 10,-2.6 2,-0.3 -2,-0.6 11,-0.2 0.789 61.7 -9.1 -96.3 -39.0 44.8 -10.3 27.5 72 73 A G E - D 0 81A 14 9,-1.8 9,-2.7 -24,-0.1 2,-0.4 -0.982 45.4-165.3-161.8 150.5 46.5 -7.9 29.9 73 74 A V E - D 0 80A 50 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.956 7.5-176.8-137.2 118.2 46.1 -5.0 32.3 74 75 A N E >> - D 0 79A 70 5,-2.6 5,-1.9 -2,-0.4 4,-1.7 -0.905 3.5-178.8-116.2 103.6 49.0 -3.1 33.6 75 76 A K T 45S+ 0 0 133 -2,-0.6 -1,-0.1 1,-0.2 -56,-0.0 0.868 86.1 49.1 -67.5 -38.5 47.9 -0.4 36.0 76 77 A E T 45S+ 0 0 174 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.748 118.6 38.9 -71.9 -26.3 51.5 0.9 36.6 77 78 A A T 45S- 0 0 49 2,-0.1 26,-0.2 -3,-0.1 -2,-0.2 0.630 101.5-128.4 -98.1 -14.2 52.2 1.0 32.9 78 79 A L T <5 + 0 0 18 -4,-1.7 25,-2.4 1,-0.3 2,-0.4 0.937 62.4 141.7 60.5 49.6 48.8 2.4 31.8 79 80 A T E < -DE 74 102A 36 -5,-1.9 -5,-2.6 23,-0.2 2,-0.4 -0.930 30.9-177.1-127.1 144.2 48.6 -0.4 29.3 80 81 A F E -DE 73 101A 25 21,-2.1 21,-3.4 -2,-0.4 2,-0.4 -0.992 4.4-168.9-149.3 130.2 45.7 -2.6 28.2 81 82 A D E +DE 72 100A 34 -9,-2.7 -10,-2.6 -2,-0.4 -9,-1.8 -0.988 15.5 158.8-127.1 128.1 45.5 -5.5 25.8 82 83 A Y E -DE 70 99A 45 17,-1.5 17,-2.2 -2,-0.4 2,-0.4 -0.993 20.4-152.5-149.3 146.1 42.3 -7.1 24.5 83 84 A S E -DE 69 98A 8 -14,-2.1 -14,-2.6 -2,-0.3 2,-0.7 -0.899 17.9-132.1-116.3 145.1 41.2 -9.2 21.5 84 85 A V E +DE 68 97A 4 13,-2.1 13,-1.7 -2,-0.4 -16,-0.2 -0.890 35.0 165.3 -89.2 119.0 38.0 -9.6 19.6 85 86 A I E + 0 0 50 -18,-1.9 2,-0.3 -2,-0.7 -17,-0.1 0.509 54.5 12.7-114.0 -10.3 37.6 -13.4 19.4 86 87 A D E S+D 67 0A 99 -19,-0.9 -19,-2.3 0, 0.0 3,-0.2 -0.967 74.9 73.9-162.5 166.6 33.9 -13.9 18.3 87 88 A G S > S- 0 0 20 -2,-0.3 3,-1.3 -21,-0.3 -21,-0.2 -0.191 83.3 -71.9 103.0 166.9 30.7 -12.3 17.0 88 89 A D G > S+ 0 0 67 1,-0.3 3,-0.9 2,-0.2 -22,-0.1 0.362 111.4 85.7 -84.0 7.2 29.6 -11.0 13.6 89 90 A I G 3 S+ 0 0 25 -24,-0.9 -1,-0.3 1,-0.2 3,-0.1 0.756 83.7 63.0 -67.3 -26.1 31.9 -7.9 13.7 90 91 A L G <> S- 0 0 16 -3,-1.3 4,-2.1 1,-0.3 -1,-0.2 0.461 92.0-160.6 -77.7 -3.4 34.5 -10.3 12.3 91 92 A L T <4 - 0 0 94 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 -0.336 51.5 -59.5 59.3-134.4 32.3 -10.7 9.2 92 93 A G T 4 S+ 0 0 59 -3,-0.1 -1,-0.2 -4,-0.0 -2,-0.1 0.731 132.8 53.0 -99.8 -37.5 33.4 -13.9 7.4 93 94 A F T 4 S+ 0 0 47 33,-0.1 29,-1.5 28,-0.1 2,-0.6 0.619 84.8 87.1 -80.7 -20.1 37.1 -13.1 6.8 94 95 A I E < - F 0 121A 10 -4,-2.1 27,-0.2 27,-0.2 3,-0.1 -0.749 43.9-174.8 -99.2 119.3 38.5 -12.1 10.2 95 96 A E E S- 0 0 132 25,-2.4 2,-0.3 -2,-0.6 26,-0.2 0.917 71.3 -27.6 -73.5 -45.4 39.9 -14.7 12.6 96 97 A S E - F 0 120A 23 24,-1.2 24,-3.1 -6,-0.1 2,-0.5 -0.979 49.3-127.3-163.7 161.6 40.6 -12.1 15.4 97 98 A I E -EF 84 119A 14 -13,-1.7 -13,-2.1 -2,-0.3 2,-0.7 -0.950 21.7-157.9-117.1 111.8 41.4 -8.5 16.2 98 99 A E E -EF 83 118A 59 20,-2.7 20,-2.1 -2,-0.5 2,-0.3 -0.789 16.2-173.6 -93.6 112.6 44.4 -8.0 18.4 99 100 A N E -EF 82 117A 13 -17,-2.2 -17,-1.5 -2,-0.7 2,-0.4 -0.826 13.8-176.2-111.0 144.3 44.3 -4.6 20.2 100 101 A H E -EF 81 116A 57 16,-2.1 16,-3.3 -2,-0.3 2,-0.4 -0.978 8.1-165.5-136.8 122.6 46.9 -2.9 22.4 101 102 A V E -EF 80 115A 13 -21,-3.4 -21,-2.1 -2,-0.4 2,-0.4 -0.901 3.6-172.1-112.4 141.9 46.2 0.5 24.1 102 103 A V E -EF 79 114A 55 12,-2.5 12,-2.6 -2,-0.4 2,-0.4 -0.997 8.6-156.8-133.6 125.7 48.8 2.8 25.6 103 104 A L E - 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