==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 20-FEB-00 1EHD . COMPND 2 MOLECULE: AGGLUTININ ISOLECTIN VI; . SOURCE 2 ORGANISM_SCIENTIFIC: URTICA DIOICA; . AUTHOR K.HARATA,M.MURAKI . 89 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 58.4 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 . 18 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 . 3 3.4 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 . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 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 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 . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 86 0, 0.0 23,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-173.1 18.8 5.9 5.8 2 2 A R B +A 23 0A 96 21,-0.2 2,-0.3 5,-0.1 21,-0.3 -0.693 360.0 165.2 -91.7 150.1 17.3 7.1 2.6 3 3 A a > + 0 0 0 19,-1.5 4,-1.2 -2,-0.3 3,-0.3 -0.933 28.9 18.6-157.7 170.2 15.2 10.2 2.6 4 4 A G T >4>S- 0 0 4 6,-2.9 5,-2.9 -2,-0.3 3,-0.6 -0.033 112.1 -21.4 61.7-152.6 13.6 12.9 0.6 5 5 A S G >45S+ 0 0 83 1,-0.3 3,-0.8 3,-0.2 -1,-0.2 0.886 141.0 47.9 -64.5 -37.5 12.8 12.8 -3.2 6 6 A Q G 345S+ 0 0 106 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.777 116.8 44.2 -69.9 -25.8 15.4 10.0 -3.8 7 7 A G G X<5S- 0 0 21 -4,-1.2 3,-0.8 -3,-0.6 -3,-0.2 -0.108 125.4 -84.3-114.2 33.5 14.2 8.0 -0.9 8 8 A G T < 5S- 0 0 81 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.434 78.1 -67.1 91.7 -6.1 10.4 8.0 -1.0 9 9 A G T 3 - 0 0 5 4,-0.5 3,-1.4 -2,-0.3 2,-0.1 -0.534 35.6-109.7 -70.9 137.5 15.5 11.4 8.4 13 13 A P G > S+ 0 0 81 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.382 110.1 25.9 -50.2 135.5 15.2 9.6 11.8 14 14 A G G 3 S- 0 0 47 1,-0.2 71,-0.8 -2,-0.1 -2,-0.1 0.637 124.8 -89.0 75.7 13.2 16.7 12.0 14.5 15 15 A L G < S+ 0 0 34 -3,-1.4 -1,-0.2 1,-0.1 2,-0.1 0.840 77.5 162.4 48.8 41.7 15.8 15.0 12.2 16 16 A R < - 0 0 68 -3,-0.7 -4,-0.5 1,-0.1 2,-0.2 -0.334 45.8 -81.9 -81.0 170.9 19.2 14.8 10.5 17 17 A c E -B 25 0B 0 8,-1.6 8,-2.0 -6,-0.1 2,-0.6 -0.518 33.8-143.4 -76.7 141.7 19.9 16.4 7.2 18 18 A a E -BC 24 37B 0 19,-2.5 18,-3.3 6,-0.2 19,-1.6 -0.942 18.8-141.5-106.4 118.3 18.8 14.7 4.0 19 19 A S E > - C 0 35B 3 4,-2.7 3,-1.9 -2,-0.6 16,-0.3 -0.222 27.6-104.8 -71.8 169.5 21.3 15.3 1.2 20 20 A I T 3 S+ 0 0 72 14,-2.7 -14,-0.1 1,-0.3 15,-0.1 0.751 122.1 63.1 -66.2 -19.4 20.2 15.9 -2.5 21 21 A W T 3 S- 0 0 141 13,-0.3 -1,-0.3 2,-0.1 14,-0.1 0.443 120.9-106.9 -85.2 1.1 21.3 12.3 -3.1 22 22 A G S < S+ 0 0 0 -3,-1.9 -19,-1.5 1,-0.3 2,-0.3 0.802 77.9 119.6 83.0 34.4 18.6 10.9 -0.6 23 23 A W B -A 2 0A 122 -21,-0.3 -4,-2.7 -4,-0.1 -1,-0.3 -0.957 58.1-121.4-129.6 150.2 20.7 9.9 2.3 24 24 A b E +B 18 0B 9 -23,-2.1 2,-0.3 -2,-0.3 -6,-0.2 -0.600 46.4 127.7 -90.9 144.5 20.7 11.1 6.0 25 25 A G E -B 17 0B 4 -8,-2.0 -8,-1.6 -2,-0.2 -13,-0.1 -0.980 51.4-126.3-177.9-178.0 23.8 12.6 7.7 26 26 A D S S+ 0 0 89 -2,-0.3 2,-0.2 -10,-0.2 -8,-0.1 0.294 71.9 91.8-127.8 -5.6 25.2 15.5 9.8 27 27 A S S >> S- 0 0 58 -10,-0.1 4,-2.8 33,-0.1 3,-1.2 -0.468 92.3 -88.9 -92.8 170.7 28.2 16.7 7.9 28 28 A E H 3> S+ 0 0 97 1,-0.2 4,-3.0 2,-0.2 6,-0.4 0.845 123.2 59.5 -49.9 -44.4 28.5 19.5 5.3 29 29 A P H 34 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.821 119.3 32.2 -52.9 -31.3 27.8 17.1 2.3 30 30 A Y H <4 S+ 0 0 73 -3,-1.2 6,-0.4 -11,-0.1 -2,-0.2 0.835 132.6 28.1 -91.4 -39.2 24.5 16.3 3.9 31 31 A c H < S+ 0 0 2 -4,-2.8 9,-2.0 4,-0.1 10,-0.5 0.573 114.5 51.8-104.8 -13.0 23.6 19.6 5.7 32 32 A G S >< S- 0 0 21 -4,-3.0 3,-1.5 -5,-0.3 9,-0.1 0.541 116.2 -20.7 -95.9-125.7 25.3 22.3 3.6 33 33 A R T 3 S+ 0 0 210 1,-0.3 -5,-0.0 6,-0.0 -3,-0.0 0.901 136.4 48.3 -60.9 -41.4 25.3 23.2 -0.0 34 34 A T T 3 S+ 0 0 17 -6,-0.4 -14,-2.7 -15,-0.0 -13,-0.3 0.129 86.4 122.0 -91.9 30.3 24.2 19.8 -1.1 35 35 A d E < -C 19 0B 19 -3,-1.5 -16,-0.3 -16,-0.3 -4,-0.1 -0.665 39.5-173.0 -94.8 142.2 21.3 19.5 1.4 36 36 A E E - 0 0 67 -18,-3.3 2,-0.3 1,-0.4 -17,-0.2 0.765 67.5 -3.0-100.2 -41.4 17.8 18.8 0.4 37 37 A N E S+C 18 0B 43 -19,-1.6 -19,-2.5 1,-0.2 -1,-0.4 -0.989 117.3 29.4-157.5 161.7 15.9 19.2 3.7 38 38 A K S S+ 0 0 47 -2,-0.3 20,-0.2 -21,-0.2 2,-0.2 0.920 86.2 168.0 50.3 52.8 16.4 19.7 7.5 39 39 A d > - 0 0 16 -3,-0.1 3,-2.1 18,-0.1 -1,-0.2 -0.527 52.5-108.9 -95.9 163.3 19.5 21.7 6.4 40 40 A W G > S+ 0 0 43 -9,-2.0 3,-1.4 1,-0.3 -8,-0.1 0.901 118.3 58.0 -58.4 -38.7 21.7 24.1 8.4 41 41 A S G 3 S+ 0 0 112 -10,-0.5 -1,-0.3 1,-0.3 18,-0.1 0.608 92.5 72.2 -68.8 -8.5 20.3 27.0 6.5 42 42 A G G < + 0 0 39 -3,-2.1 -1,-0.3 16,-0.2 -2,-0.2 0.353 62.6 126.0 -92.5 3.5 16.7 26.2 7.6 43 43 A E < - 0 0 34 -3,-1.4 15,-0.2 -4,-0.1 6,-0.1 -0.458 69.5-107.7 -63.2 134.2 17.1 27.2 11.3 44 44 A R > - 0 0 98 4,-0.5 3,-1.5 13,-0.5 -1,-0.1 -0.266 19.8-121.9 -56.2 146.8 14.3 29.7 12.2 45 45 A S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.849 117.7 49.9 -63.7 -29.9 15.5 33.3 12.7 46 46 A D T 3 S- 0 0 66 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.342 109.1-130.4 -86.1 1.2 14.1 33.0 16.3 47 47 A H < + 0 0 84 -3,-1.5 23,-3.0 1,-0.2 -2,-0.1 0.563 52.8 150.6 59.9 16.7 16.0 29.8 16.8 48 48 A R B +D 69 0C 63 21,-0.2 -4,-0.5 16,-0.1 21,-0.3 -0.391 16.4 168.5 -70.7 151.1 12.9 27.8 18.1 49 49 A e + 0 0 1 19,-2.1 3,-0.2 16,-0.1 4,-0.1 -0.875 23.5 68.9-151.4 178.9 13.0 24.1 17.4 50 50 A G S > >S- 0 0 2 6,-0.5 5,-2.5 -2,-0.3 3,-1.3 -0.260 95.8 -45.4 95.7-177.5 11.1 21.0 18.5 51 51 A A G > 5S+ 0 0 78 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.845 124.6 64.7 -67.8 -36.5 7.6 19.8 17.9 52 52 A A G 3 5S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.745 110.9 39.0 -58.4 -27.8 5.8 23.0 18.6 53 53 A V G < 5S- 0 0 31 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.051 127.8 -93.8-112.9 24.4 7.5 24.6 15.5 54 54 A G T < 5 - 0 0 53 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.819 66.6 -73.7 73.1 34.4 7.3 21.5 13.3 55 55 A N < - 0 0 49 -5,-2.5 -1,-0.2 1,-0.1 -4,-0.1 0.880 69.1-174.3 47.1 57.3 10.7 20.1 14.1 56 56 A P - 0 0 14 0, 0.0 -6,-0.5 0, 0.0 -13,-0.1 -0.263 26.1-100.8 -71.6 159.3 12.8 22.6 12.1 57 57 A P - 0 0 11 0, 0.0 -13,-0.5 0, 0.0 2,-0.3 -0.225 24.8-134.7 -69.4 170.0 16.6 22.1 11.8 58 58 A f - 0 0 0 4,-0.2 -16,-0.2 -20,-0.2 3,-0.1 -0.796 30.6-104.7-116.5 165.9 19.3 23.9 13.7 59 59 A G > - 0 0 8 -2,-0.3 3,-1.9 1,-0.2 -1,-0.2 -0.040 59.7 -42.9 -82.2-172.7 22.4 25.3 12.0 60 60 A Q T 3 S- 0 0 108 1,-0.3 -1,-0.2 -29,-0.1 3,-0.1 -0.325 126.5 -1.7 -61.8 128.7 25.9 24.1 12.0 61 61 A D T 3 S+ 0 0 111 1,-0.3 12,-0.3 -3,-0.1 2,-0.3 0.692 107.7 115.5 60.6 27.4 27.2 22.9 15.3 62 62 A R < - 0 0 75 -3,-1.9 2,-0.3 10,-0.1 -1,-0.3 -0.908 47.6-160.5-122.8 157.0 23.9 23.8 17.0 63 63 A g E -E 71 0D 0 8,-3.0 8,-1.6 -2,-0.3 2,-0.7 -0.884 24.4-111.5-137.8 152.7 21.5 21.4 18.6 64 64 A e E -EF 70 84D 0 20,-2.5 19,-2.9 -2,-0.3 20,-1.4 -0.830 37.4-144.4 -91.9 116.2 17.9 21.5 19.5 65 65 A S E > - F 0 82D 3 4,-2.8 3,-2.1 -2,-0.7 17,-0.3 -0.324 25.3-106.8 -79.3 166.4 17.6 21.5 23.3 66 66 A V T 3 S+ 0 0 68 15,-2.6 16,-0.1 1,-0.3 -1,-0.1 0.715 119.6 61.2 -63.2 -16.9 14.8 19.8 25.2 67 67 A H T 3 S- 0 0 124 14,-0.3 -1,-0.3 2,-0.2 -18,-0.1 0.580 122.0-102.7 -88.9 -6.3 13.4 23.2 25.9 68 68 A G S < S+ 0 0 4 -3,-2.1 -19,-2.1 1,-0.3 2,-0.4 0.805 81.0 113.2 96.0 32.8 12.8 23.9 22.2 69 69 A W B -D 48 0C 111 -21,-0.3 -4,-2.8 -4,-0.2 -1,-0.3 -0.989 58.9-128.8-136.0 140.1 15.7 26.2 21.2 70 70 A f E +E 64 0D 6 -23,-3.0 2,-0.3 -2,-0.4 -6,-0.2 -0.627 47.3 131.0 -79.3 147.9 18.7 25.8 19.0 71 71 A G E -E 63 0D 4 -8,-1.6 -8,-3.0 -2,-0.3 2,-0.2 -0.961 46.6-101.8-178.6 179.9 22.0 26.7 20.4 72 72 A G + 0 0 40 -2,-0.3 3,-0.3 -10,-0.2 -10,-0.1 -0.701 67.9 32.5-118.1 164.4 25.6 25.4 20.8 73 73 A G S >> S- 0 0 48 -12,-0.3 4,-2.7 -2,-0.2 3,-2.3 -0.015 103.4 -40.5 81.1 179.3 27.5 23.9 23.7 74 74 A N H 3> S+ 0 0 117 1,-0.3 4,-1.4 2,-0.2 7,-0.2 0.761 126.6 61.3 -49.0 -38.9 26.6 21.7 26.6 75 75 A D H 34 S+ 0 0 122 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.612 122.4 23.2 -69.3 -15.1 23.2 23.3 27.5 76 76 A Y H <4 S+ 0 0 73 -3,-2.3 -2,-0.2 -11,-0.1 7,-0.2 0.705 130.9 35.2-114.5 -35.7 22.0 22.5 24.1 77 77 A g H < S+ 0 0 5 -4,-2.7 12,-1.5 5,-0.1 -3,-0.2 0.592 91.7 85.9-104.0 -22.5 24.0 19.5 22.8 78 78 A S S >X S- 0 0 27 -4,-1.4 3,-2.1 -5,-0.3 4,-1.1 -0.430 88.8 -59.4 -93.4 160.2 25.0 17.2 25.6 79 79 A G T 34 S+ 0 0 58 10,-1.3 -1,-0.2 1,-0.3 4,-0.1 -0.003 121.1 7.9 -34.7 120.8 23.2 14.3 27.2 80 80 A G T 34 S+ 0 0 63 2,-0.3 -1,-0.3 -3,-0.1 -14,-0.1 -0.065 123.2 67.3 93.8 -32.4 19.9 15.1 28.8 81 81 A K T <4 S+ 0 0 81 -3,-2.1 -15,-2.6 -7,-0.2 2,-0.4 0.721 88.1 71.4 -93.5 -15.4 19.9 18.6 27.3 82 82 A h E < +F 65 0D 14 -4,-1.1 -2,-0.3 -17,-0.3 -17,-0.3 -0.809 44.3 177.3-109.9 128.3 19.6 17.7 23.6 83 83 A Q E S- 0 0 85 -19,-2.9 2,-0.3 -2,-0.4 -18,-0.2 0.698 71.9 -0.6-100.6 -25.3 16.5 16.3 21.9 84 84 A Y E S+F 64 0D 11 -20,-1.4 -20,-2.5 1,-0.2 -1,-0.4 -0.970 116.6 26.2-161.3 158.6 17.8 16.2 18.3 85 85 A R S S- 0 0 19 -71,-0.8 -1,-0.2 -2,-0.3 4,-0.1 0.961 73.2-177.1 58.6 62.1 20.8 17.0 16.1 86 86 A h - 0 0 23 -23,-0.1 3,-0.4 2,-0.1 -23,-0.1 0.311 23.1-161.5 -89.5 10.1 23.0 16.5 19.1 87 87 A S S S+ 0 0 74 1,-0.2 2,-0.3 -25,-0.2 -14,-0.1 0.634 99.9 14.8 22.6 52.1 26.8 17.2 18.2 88 88 A S 0 0 84 -10,-0.0 -1,-0.2 -6,-0.0 -10,-0.2 -0.810 360.0 360.0 151.8 -99.6 27.8 15.3 21.3 89 89 A S 0 0 109 -12,-1.5 -10,-1.3 -3,-0.4 -8,-0.1 -0.399 360.0 360.0 142.4 360.0 24.4 13.5 22.2