==== 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 PLANT PROTEIN 21-FEB-00 1EHH . COMPND 2 MOLECULE: AGGLUTININ ISOLECTIN VI; . SOURCE 2 ORGANISM_SCIENTIFIC: URTICA DIOICA; . AUTHOR K.HARATA,M.MURAKI . 178 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 20.2 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 . 7 3.9 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 . 1 0.6 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 . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 4 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 8 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 . 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 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 X 0 0 91 0, 0.0 23,-2.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 178.2 20.1 9.3 3.0 2 2 A R B +A 23 0A 125 21,-0.2 2,-0.3 16,-0.1 21,-0.3 -0.467 360.0 156.8 -76.4 147.0 20.3 5.7 4.0 3 3 A a > + 0 0 0 19,-1.8 3,-0.5 -2,-0.1 4,-0.5 -0.972 27.0 23.1-161.0 167.4 18.2 4.4 6.9 4 4 A G G > >S- 0 0 4 6,-2.9 5,-2.3 -2,-0.3 3,-1.3 -0.018 106.3 -28.8 70.3-161.9 16.5 1.5 8.7 5 5 A S G 3 5S+ 0 0 78 1,-0.3 3,-0.3 3,-0.2 -1,-0.2 0.755 141.6 44.4 -63.6 -25.9 17.2 -2.2 8.4 6 6 A Q G < 5S+ 0 0 122 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.504 115.5 48.2 -99.8 1.0 18.6 -1.9 4.9 7 7 A G T X 5S- 0 0 14 -3,-1.3 3,-0.9 -4,-0.5 -3,-0.2 -0.319 124.3 -76.7-138.6 51.8 20.7 1.3 5.5 8 8 A G T 3 5S- 0 0 80 -3,-0.3 -3,-0.2 1,-0.2 -4,-0.2 0.824 76.8 -75.3 65.6 33.0 22.7 0.8 8.7 9 9 A G T 3 - 0 0 5 4,-0.6 3,-1.3 -2,-0.4 4,-0.2 -0.332 37.9-102.5 -66.8 140.0 15.9 9.8 9.1 13 13 A P T 3 S+ 0 0 80 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.413 110.9 21.2 -51.3 126.4 17.0 13.4 9.9 14 14 A G T 3 S- 0 0 43 1,-0.2 71,-0.9 -2,-0.1 72,-0.1 0.752 127.9 -80.6 80.9 23.9 13.9 15.4 10.8 15 15 A L S < S+ 0 0 32 -3,-1.3 -1,-0.2 1,-0.2 3,-0.1 0.799 80.7 164.4 50.2 38.4 12.0 12.3 11.7 16 16 A R - 0 0 55 -3,-0.5 -4,-0.6 -4,-0.2 -1,-0.2 -0.309 43.0 -81.4 -76.5 169.4 11.2 11.5 8.2 17 17 A c E -B 25 0B 2 8,-1.2 8,-1.8 -6,-0.1 2,-0.5 -0.422 32.3-148.4 -72.0 142.3 9.9 8.3 6.8 18 18 A a E -BC 24 37B 2 19,-2.9 18,-3.2 6,-0.2 19,-1.4 -0.966 19.4-137.1-111.1 125.5 12.3 5.4 6.1 19 19 A S E > - C 0 35B 2 4,-2.7 3,-2.2 -2,-0.5 16,-0.3 -0.356 27.9-104.9 -77.4 166.4 11.2 3.2 3.2 20 20 A I T 3 S+ 0 0 76 14,-2.8 15,-0.1 1,-0.3 -1,-0.1 0.723 122.2 63.5 -61.9 -13.8 11.4 -0.6 3.3 21 21 A W T 3 S- 0 0 137 13,-0.4 -1,-0.3 2,-0.2 -18,-0.1 0.346 120.5-104.0 -89.5 4.2 14.4 -0.0 0.9 22 22 A G S < S+ 0 0 0 -3,-2.2 -19,-1.8 1,-0.2 2,-0.3 0.814 79.2 119.0 83.7 27.8 16.6 1.9 3.4 23 23 A W B -A 2 0A 108 -21,-0.3 -4,-2.7 -4,-0.2 -1,-0.2 -0.974 56.6-125.8-130.1 148.6 16.1 5.6 2.1 24 24 A b E +B 18 0B 9 -23,-2.1 2,-0.3 -2,-0.3 -6,-0.2 -0.579 43.4 133.1 -92.0 144.9 14.7 8.7 3.8 25 25 A G E -B 17 0B 4 -8,-1.8 -8,-1.2 -2,-0.2 -13,-0.1 -0.978 52.9-123.8-176.2-179.2 11.9 10.8 2.2 26 26 A D S S+ 0 0 108 -2,-0.3 2,-0.2 -10,-0.1 -8,-0.1 0.153 74.8 86.3-126.7 7.3 8.7 12.5 2.6 27 27 A S S >> S- 0 0 49 -10,-0.1 4,-3.0 33,-0.0 3,-1.8 -0.643 90.8 -86.7-115.8 176.9 6.4 10.9 0.0 28 28 A E H 3> S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 6,-0.5 0.811 123.3 55.5 -53.0 -37.8 4.1 7.9 -0.4 29 29 A P H 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -4,-0.0 0.801 120.3 33.1 -62.9 -25.9 6.9 5.5 -1.5 30 30 A Y H <4 S+ 0 0 76 -3,-1.8 6,-0.4 -11,-0.1 -2,-0.2 0.832 134.8 24.2 -91.7 -38.6 8.7 6.4 1.7 31 31 A c H < S+ 0 0 2 -4,-3.0 9,-1.5 4,-0.1 10,-0.5 0.578 112.0 56.4-108.9 -18.2 5.8 6.9 4.0 32 32 A G S >< S- 0 0 20 -4,-2.7 3,-1.2 -5,-0.4 9,-0.1 0.558 117.3 -21.6 -91.2-121.1 2.8 5.0 2.8 33 33 A R T 3 S+ 0 0 245 1,-0.3 -5,-0.0 -5,-0.1 -3,-0.0 0.845 137.8 48.0 -63.8 -34.7 2.5 1.3 2.0 34 34 A T T 3 S+ 0 0 40 -6,-0.5 -14,-2.8 -15,-0.0 2,-0.4 -0.062 84.9 124.1-100.8 33.9 6.3 0.7 1.6 35 35 A d E < -C 19 0B 19 -3,-1.2 -16,-0.3 -16,-0.3 -4,-0.1 -0.766 34.8-179.9 -96.7 138.7 7.3 2.6 4.7 36 36 A E E + 0 0 60 -18,-3.2 2,-0.3 -2,-0.4 -17,-0.2 0.863 67.2 16.8 -99.5 -56.7 9.4 0.9 7.3 37 37 A N E S+C 18 0B 62 -19,-1.4 -19,-2.9 -7,-0.2 -1,-0.4 -0.955 121.1 13.2-126.2 148.9 9.9 3.6 10.1 38 38 A K S S+ 0 0 49 -2,-0.3 20,-0.2 -21,-0.2 -1,-0.2 0.857 83.3 176.2 54.1 52.1 8.1 6.8 11.0 39 39 A d > - 0 0 16 -3,-0.2 3,-1.9 18,-0.1 -1,-0.2 -0.358 45.7-112.8 -86.3 155.9 5.2 6.1 8.7 40 40 A W G > S+ 0 0 43 -9,-1.5 3,-1.3 1,-0.3 -8,-0.1 0.890 117.3 56.8 -53.4 -37.5 2.1 8.1 8.2 41 41 A S G 3 S+ 0 0 118 -10,-0.5 -1,-0.3 1,-0.3 18,-0.1 0.532 91.8 75.7 -75.9 -1.9 -0.1 5.3 9.8 42 42 A G G < + 0 0 39 -3,-1.9 -1,-0.3 16,-0.2 -2,-0.2 0.380 64.0 120.4 -89.2 2.5 2.1 5.5 12.9 43 43 A E S < S- 0 0 33 -3,-1.3 15,-0.2 13,-0.1 6,-0.1 -0.449 71.9-102.2 -68.2 146.0 0.6 8.7 14.2 44 44 A R > - 0 0 94 4,-0.6 3,-1.5 13,-0.5 -1,-0.1 -0.302 17.9-123.4 -69.7 150.3 -1.0 8.4 17.7 45 45 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.908 118.3 46.3 -55.9 -41.1 -4.7 8.0 18.1 46 46 A D T 3 S- 0 0 64 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.448 111.6-127.1 -82.4 -0.5 -4.6 11.1 20.4 47 47 A H < + 0 0 86 -3,-1.5 23,-3.0 1,-0.2 -2,-0.1 0.589 55.6 148.2 69.0 18.9 -2.3 12.9 17.9 48 48 A R B +D 69 0C 82 21,-0.2 -4,-0.6 16,-0.1 21,-0.3 -0.444 16.1 167.0 -78.0 158.7 0.4 13.8 20.3 49 49 A e + 0 0 3 19,-1.5 3,-0.2 16,-0.1 4,-0.2 -0.804 22.8 83.6-152.5-171.2 4.1 14.0 19.0 50 50 A G S > >S- 0 0 4 6,-0.4 5,-2.6 -2,-0.2 3,-1.6 -0.099 90.7 -55.5 91.5 166.1 7.5 15.3 20.3 51 51 A A G > 5S+ 0 0 77 1,-0.3 3,-2.1 3,-0.2 -1,-0.2 0.815 122.4 68.9 -54.8 -35.0 10.2 13.9 22.5 52 52 A A G 3 5S+ 0 0 92 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.773 108.0 36.1 -61.5 -29.5 7.9 13.2 25.5 53 53 A V G < 5S- 0 0 37 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 -0.020 129.5 -89.7-115.2 30.8 6.1 10.4 23.6 54 54 A G T < 5 - 0 0 52 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.644 66.8 -76.2 79.4 21.7 9.1 9.2 21.8 55 55 A N < - 0 0 52 -5,-2.6 -1,-0.2 1,-0.1 -4,-0.1 0.944 64.7-169.0 52.2 56.0 8.9 11.3 18.7 56 56 A P - 0 0 16 0, 0.0 -6,-0.4 0, 0.0 -13,-0.1 -0.299 21.1-107.5 -62.8 155.4 6.1 9.5 16.9 57 57 A P - 0 0 11 0, 0.0 -13,-0.5 0, 0.0 2,-0.3 -0.103 24.9-129.6 -66.1-179.7 5.4 10.4 13.2 58 58 A f - 0 0 0 -20,-0.2 -16,-0.2 4,-0.2 3,-0.1 -0.887 27.9-100.4-128.7 160.5 2.4 12.3 11.9 59 59 A G > - 0 0 10 -2,-0.3 3,-1.5 1,-0.2 2,-0.2 0.017 63.1 -46.0 -69.7-172.2 0.1 11.3 9.1 60 60 A Q T 3 S- 0 0 119 1,-0.3 -1,-0.2 -29,-0.0 3,-0.1 -0.412 125.7 -2.1 -63.7 119.0 -0.0 12.4 5.6 61 61 A D T 3 S+ 0 0 112 1,-0.3 12,-0.5 -2,-0.2 2,-0.3 0.725 106.4 114.5 65.5 35.2 0.3 16.2 5.2 62 62 A R < - 0 0 76 -3,-1.5 -1,-0.3 10,-0.2 10,-0.3 -0.919 48.0-157.5-129.3 151.6 0.4 16.8 9.0 63 63 A g E -E 71 0D 0 8,-3.2 8,-1.5 -2,-0.3 2,-0.8 -0.823 24.2-109.1-130.7 164.2 3.3 18.1 10.9 64 64 A e E -EF 70 84D 0 20,-2.8 19,-3.6 -2,-0.3 20,-1.5 -0.856 36.7-150.0 -98.4 106.3 4.5 18.0 14.5 65 65 A S E > - F 0 82D 2 4,-2.2 3,-1.8 -2,-0.8 17,-0.3 -0.281 27.8-109.7 -67.9 162.2 4.1 21.5 16.0 66 66 A V T 3 S+ 0 0 71 15,-2.6 16,-0.1 1,-0.3 -1,-0.1 0.595 118.1 66.0 -68.6 -8.7 6.4 22.8 18.8 67 67 A H T 3 S- 0 0 104 14,-0.4 -1,-0.3 2,-0.2 15,-0.1 0.618 120.3-105.5 -88.5 -18.5 3.4 22.4 21.1 68 68 A G S < S+ 0 0 11 -3,-1.8 -19,-1.5 1,-0.3 2,-0.4 0.765 78.9 116.8 105.2 35.5 3.4 18.6 20.7 69 69 A W B -D 48 0C 94 -4,-0.3 -4,-2.2 -21,-0.3 -1,-0.3 -0.997 56.3-133.1-138.5 135.5 0.5 18.0 18.5 70 70 A f E +E 64 0D 4 -23,-3.0 2,-0.3 -2,-0.4 -6,-0.2 -0.590 46.2 128.4 -82.8 146.0 0.3 16.5 14.9 71 71 A G E -E 63 0D 2 -8,-1.5 -8,-3.2 -2,-0.2 2,-0.3 -0.958 50.5 -92.0 177.3 169.3 -1.9 18.4 12.5 72 72 A G S S+ 0 0 38 -2,-0.3 3,-0.3 -10,-0.3 -10,-0.2 -0.657 70.5 26.2 -98.6 154.1 -2.3 19.9 9.1 73 73 A G S >> S- 0 0 36 -12,-0.5 4,-3.0 -2,-0.3 3,-1.8 -0.070 98.8 -42.6 94.0 175.7 -1.7 23.5 8.1 74 74 A N H 3> S+ 0 0 106 1,-0.3 4,-1.3 2,-0.2 7,-0.2 0.764 124.7 59.9 -54.5 -31.2 0.3 26.6 9.0 75 75 A D H 34 S+ 0 0 123 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.802 121.6 26.0 -67.7 -29.8 -0.2 26.3 12.7 76 76 A Y H <4 S+ 0 0 82 -3,-1.8 -2,-0.2 -11,-0.1 7,-0.2 0.679 132.6 33.3-101.1 -30.7 1.4 23.0 12.7 77 77 A g H < S+ 0 0 1 -4,-3.0 2,-0.4 5,-0.1 12,-0.2 0.524 85.7 99.2-113.7 -13.4 3.7 23.1 9.7 78 78 A S S >X S- 0 0 28 -4,-1.3 3,-2.1 -5,-0.4 4,-0.8 -0.702 86.1 -94.5 -88.8 134.3 5.0 26.6 9.2 79 79 A G B 34 S+g 82 0D 60 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.008 113.9 31.9 -47.7 144.1 8.5 27.2 10.5 80 80 A G T 34 S+ 0 0 68 2,-0.5 -1,-0.3 1,-0.1 -14,-0.1 -0.248 122.7 53.1 95.9 -49.0 8.6 28.6 14.0 81 81 A K T <4 S+ 0 0 90 -3,-2.1 -15,-2.6 -2,-0.4 -14,-0.4 0.665 100.6 71.9 -90.2 -17.9 5.3 26.6 14.8 82 82 A h E < -Fg 65 79D 14 -4,-0.8 -2,-0.5 -17,-0.3 -17,-0.3 -0.796 48.0-178.5-108.8 133.1 6.7 23.3 13.6 83 83 A Q E S- 0 0 82 -19,-3.6 2,-0.3 -2,-0.4 -18,-0.2 0.806 71.6 -6.3 -95.0 -37.8 9.3 21.0 15.3 84 84 A Y E S+F 64 0D 12 -20,-1.5 -20,-2.8 1,-0.1 -1,-0.4 -0.987 117.7 30.7-156.3 161.4 9.5 18.1 12.7 85 85 A R S S- 0 0 32 -71,-0.9 2,-0.3 -2,-0.3 -1,-0.1 0.887 78.2-170.7 58.7 46.8 8.0 16.8 9.5 86 86 A h + 0 0 59 -23,-0.1 -1,-0.2 1,-0.1 -9,-0.1 -0.574 13.5 179.4 -79.9 125.7 7.3 20.4 8.6 87 87 A S + 0 0 65 -2,-0.3 2,-0.4 -14,-0.2 -1,-0.1 0.941 62.0 52.8 -91.9 -61.2 5.1 20.9 5.5 88 88 A S 0 0 61 -15,-0.1 -10,-0.1 1,-0.1 -1,-0.1 0.243 360.0 360.0 -74.3 23.2 4.1 24.4 4.3 89 89 A S 0 0 131 -2,-0.4 -2,-0.1 -12,-0.2 -11,-0.1 0.766 360.0 360.0-100.9 360.0 7.7 25.6 4.2 90 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 1 B X 0 0 80 0, 0.0 23,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 170.3 -9.3 22.8 23.6 92 2 B R B +H 113 0E 109 21,-0.2 2,-0.3 5,-0.1 21,-0.3 -0.563 360.0 146.4 -89.4 149.7 -10.1 26.4 24.2 93 3 B i > + 0 0 0 19,-1.6 4,-2.5 -2,-0.2 8,-0.2 -0.941 29.4 39.5-164.6 177.6 -11.1 27.8 27.6 94 4 B G T 4 S- 0 0 6 6,-2.4 6,-0.2 -2,-0.3 16,-0.1 -0.035 107.5 -40.8 64.5-163.0 -10.9 30.7 30.1 95 5 B S T >4 S+ 0 0 71 1,-0.2 3,-1.0 4,-0.1 -1,-0.2 0.935 140.7 46.2 -68.2 -38.9 -11.3 34.3 29.0 96 6 B Q T 34 S+ 0 0 120 1,-0.3 -2,-0.2 -3,-0.1 -1,-0.2 0.887 111.1 49.6 -75.1 -36.0 -9.2 33.9 25.8 97 7 B G T >< S- 0 0 16 -4,-2.5 2,-1.2 3,-0.1 3,-0.6 -0.143 127.2 -93.8 -93.2 37.7 -10.7 30.8 24.6 98 8 B G T < S- 0 0 65 -3,-1.0 -1,-0.1 1,-0.2 -5,-0.1 -0.641 71.3 -54.1 95.2 -88.8 -14.2 32.2 25.0 99 9 B G T 3 S+ 0 0 67 -2,-1.2 -1,-0.2 -7,-0.1 -4,-0.1 0.432 87.2 122.1-170.5 3.8 -15.5 31.2 28.4 100 10 B A < - 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