==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/SUGAR BINDING PROTEIN 14-JUL-04 1W3A . COMPND 2 MOLECULE: HEMOLYTIC LECTIN LSLA; . SOURCE 2 ORGANISM_SCIENTIFIC: LAETIPORUS SULPHUREUS; . AUTHOR J.M.MANCHENO,H.TATENO,I.J.GOLDSTEIN,M.MARTINEZ-RIPOLL, . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 59.9 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 . 118 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 4 5 0 4 4 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 1 0 0 0 0 0 0 1 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 3 A D 0 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.5 47.6 9.1 6.6 2 4 A I - 0 0 50 1,-0.1 2,-0.6 104,-0.1 103,-0.1 -0.218 360.0-109.7 -68.7 151.1 45.5 11.1 4.1 3 5 A Y - 0 0 47 202,-0.1 -1,-0.1 201,-0.0 204,-0.1 -0.739 32.2-168.8 -86.2 116.1 41.6 11.3 4.2 4 6 A I - 0 0 40 -2,-0.6 202,-0.0 202,-0.0 92,-0.0 -0.907 24.9-117.0-104.4 131.2 40.1 9.5 1.2 5 7 A P - 0 0 0 0, 0.0 43,-0.1 0, 0.0 6,-0.0 -0.339 22.5-121.4 -70.7 145.4 36.3 10.1 0.7 6 8 A P > - 0 0 43 0, 0.0 3,-1.3 0, 0.0 42,-0.4 -0.131 43.1 -84.4 -69.4-178.8 33.7 7.3 0.9 7 9 A E T 3 S+ 0 0 102 1,-0.3 41,-0.1 40,-0.1 0, 0.0 0.794 120.6 53.1 -69.1 -33.2 31.5 6.6 -2.0 8 10 A G T 3 S+ 0 0 26 281,-0.1 2,-0.4 39,-0.1 -1,-0.3 0.360 89.6 96.8 -83.0 11.1 28.7 9.1 -1.6 9 11 A L < - 0 0 0 -3,-1.3 39,-0.4 39,-0.1 2,-0.2 -0.872 60.7-144.4-117.6 130.1 30.9 12.2 -1.4 10 12 A Y + 0 0 51 -2,-0.4 137,-2.2 37,-0.1 2,-0.3 -0.534 23.7 159.6 -98.7 155.2 31.8 14.6 -4.2 11 13 A F E -AB 46 146A 0 35,-1.9 35,-2.0 135,-0.3 2,-0.3 -0.982 33.5-118.0-161.6 164.3 35.0 16.4 -5.0 12 14 A R E - B 0 145A 7 133,-1.9 133,-1.8 -2,-0.3 2,-0.7 -0.775 24.2-132.2-103.9 155.3 37.1 18.3 -7.5 13 15 A L E - B 0 144A 2 31,-0.3 9,-1.1 -2,-0.3 2,-0.5 -0.873 25.8-168.6-110.0 96.3 40.6 17.1 -8.5 14 16 A L E -CB 21 143A 36 129,-1.9 129,-2.4 -2,-0.7 2,-0.3 -0.734 15.7-133.8 -85.3 126.8 42.9 20.2 -8.3 15 17 A G E > - B 0 142A 0 5,-2.4 4,-1.4 -2,-0.5 127,-0.3 -0.592 3.4-140.6 -81.7 139.5 46.3 19.8 -9.9 16 18 A F T 4 S+ 0 0 65 125,-2.3 123,-0.1 -2,-0.3 -1,-0.1 0.966 102.7 31.4 -56.0 -54.5 49.4 21.0 -8.0 17 19 A A T 4 S+ 0 0 39 103,-0.4 104,-0.2 124,-0.4 -1,-0.1 0.906 125.3 40.0 -75.3 -50.8 51.0 22.4 -11.2 18 20 A S T 4 S- 0 0 8 102,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.748 84.4-149.1 -70.9 -25.0 48.0 23.4 -13.3 19 21 A R < + 0 0 200 -4,-1.4 2,-0.3 1,-0.3 -3,-0.1 0.757 64.5 113.3 50.6 28.7 46.1 24.9 -10.4 20 22 A Q - 0 0 48 16,-0.1 -5,-2.4 -5,-0.1 2,-0.3 -0.827 64.9-119.6-129.9 165.1 43.1 23.7 -12.5 21 23 A V E -CD 14 35A 0 14,-2.6 14,-2.0 -2,-0.3 2,-0.2 -0.706 23.2-109.3-115.9 146.7 40.5 21.1 -12.1 22 24 A I E - D 0 34A 0 -9,-1.1 2,-0.3 -2,-0.3 -9,-0.3 -0.571 33.0-165.8 -75.3 138.1 39.5 18.0 -14.1 23 25 A F E - D 0 33A 17 10,-2.2 10,-1.1 -2,-0.2 2,-0.3 -0.917 12.1-173.9-117.5 152.6 36.2 18.1 -16.1 24 26 A A E + D 0 32A 0 19,-1.9 42,-0.3 -2,-0.3 41,-0.3 -0.871 20.4 152.3-143.9 112.8 34.2 15.4 -17.7 25 27 A R - 0 0 51 6,-2.4 57,-0.1 -2,-0.3 41,-0.1 -0.742 47.4-128.5-126.0 173.7 31.1 16.2 -19.8 26 28 A N S S+ 0 0 109 1,-0.5 -1,-0.1 -2,-0.2 5,-0.1 0.866 84.6 49.5 -89.7 -51.0 29.2 14.7 -22.7 27 29 A S + 0 0 93 4,-0.1 -1,-0.5 3,-0.0 2,-0.2 -0.934 69.8 61.0-128.9 160.9 29.2 17.9 -24.8 28 30 A P S S- 0 0 81 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.444 93.2 -89.3 -73.4-162.0 30.8 20.1 -26.0 29 31 A S S S+ 0 0 120 -2,-0.2 2,-0.8 2,-0.1 3,-0.1 0.668 113.8 54.7 -58.4 -51.9 33.5 18.6 -28.3 30 32 A P S S- 0 0 82 0, 0.0 -5,-0.1 0, 0.0 -1,-0.0 -0.802 73.9-165.8 -78.8 109.4 36.6 17.9 -26.1 31 33 A D + 0 0 65 -2,-0.8 -6,-2.4 1,-0.1 2,-0.3 0.713 65.0 32.0 -81.7 -22.5 34.9 15.8 -23.4 32 34 A V E S+D 24 0A 26 -8,-0.2 2,-0.3 48,-0.1 -8,-0.2 -0.986 75.5 104.8-128.7 146.6 37.6 15.8 -20.8 33 35 A G E -D 23 0A 12 -10,-1.1 -10,-2.2 -2,-0.3 2,-0.3 -0.934 60.6 -58.8-177.3-154.0 40.2 18.4 -19.9 34 36 A L E +D 22 0A 22 -2,-0.3 -12,-0.2 -12,-0.2 94,-0.1 -0.894 43.7 171.1-114.5 147.6 41.2 21.1 -17.4 35 37 A S E -D 21 0A 33 -14,-2.0 -14,-2.6 -2,-0.3 3,-0.1 -0.996 39.4 -96.4-148.1 148.7 39.3 24.2 -16.2 36 38 A P - 0 0 85 0, 0.0 -16,-0.1 0, 0.0 -17,-0.0 -0.351 65.2 -82.3 -50.9 144.0 39.4 27.0 -13.6 37 39 A V + 0 0 65 2,-0.0 2,-0.4 3,-0.0 3,-0.0 -0.295 48.2 175.4 -60.1 131.1 37.2 26.1 -10.7 38 40 A N > - 0 0 80 3,-0.2 3,-1.3 -3,-0.1 6,-0.2 -0.932 18.8-156.1-133.6 109.2 33.5 26.8 -11.0 39 41 A D T 3 S+ 0 0 96 -2,-0.4 109,-0.1 1,-0.2 -1,-0.1 0.748 92.5 50.2 -55.8 -31.1 31.6 25.5 -7.9 40 42 A Q T 3 S+ 0 0 178 -3,-0.0 2,-0.9 1,-0.0 -1,-0.2 0.553 83.3 101.2 -89.4 -9.6 28.3 25.3 -9.8 41 43 A A X - 0 0 22 -3,-1.3 3,-2.3 1,-0.2 -3,-0.2 -0.683 54.9-163.5 -82.3 105.0 29.7 23.3 -12.8 42 44 A T G > S+ 0 0 70 -2,-0.9 3,-2.3 1,-0.3 23,-0.6 0.809 82.6 80.5 -57.0 -39.0 28.7 19.6 -12.2 43 45 A D G 3 S+ 0 0 42 1,-0.2 -19,-1.9 21,-0.2 -1,-0.3 0.665 90.0 49.8 -14.9 -46.0 31.3 18.9 -14.8 44 46 A Q G < S+ 0 0 5 -3,-2.3 2,-0.3 -6,-0.2 -31,-0.3 0.408 90.2 97.5-100.2 0.1 34.0 19.2 -12.3 45 47 A Y < + 0 0 25 -3,-2.3 19,-2.4 -4,-0.2 20,-0.5 -0.741 43.7 167.5-100.3 141.1 32.6 16.9 -9.6 46 48 A F E -AE 11 63A 0 -35,-2.0 -35,-1.9 -2,-0.3 2,-0.3 -0.971 16.7-160.9-143.8 151.6 33.6 13.3 -9.1 47 49 A S E - E 0 62A 11 15,-1.7 15,-2.0 -2,-0.3 2,-0.3 -0.842 25.6-112.6-124.8 169.9 33.2 10.6 -6.5 48 50 A L E - E 0 61A 4 -42,-0.4 2,-0.5 -39,-0.4 13,-0.2 -0.760 9.3-148.5-103.5 151.7 35.1 7.3 -6.0 49 51 A I E - E 0 60A 30 11,-2.3 11,-2.1 -2,-0.3 2,-0.7 -0.989 27.7-128.3-112.8 119.1 34.1 3.7 -6.4 50 52 A Y E - E 0 59A 79 -2,-0.5 9,-0.2 9,-0.2 6,-0.1 -0.587 23.3-127.2 -74.0 111.8 36.0 1.5 -4.0 51 53 A G - 0 0 10 7,-2.5 6,-0.7 -2,-0.7 2,-0.3 -0.191 29.0-171.6 -49.8 145.0 37.7 -1.4 -5.8 52 54 A T > + 0 0 110 4,-0.2 3,-1.9 5,-0.1 2,-0.2 -0.815 50.6 18.5-129.9 176.0 37.1 -4.9 -4.5 53 55 A G G > S- 0 0 69 1,-0.3 3,-1.1 -2,-0.3 -2,-0.0 -0.457 138.6 -9.0 65.6-125.3 38.5 -8.3 -5.2 54 56 A E G 3 S+ 0 0 201 -2,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.724 140.4 59.2 -77.5 -21.6 41.8 -7.9 -7.0 55 57 A H G X S+ 0 0 64 -3,-1.9 3,-1.9 -5,-0.1 -1,-0.2 0.281 75.4 133.4 -85.4 7.5 41.1 -4.2 -7.2 56 58 A A T < S+ 0 0 63 -3,-1.1 -4,-0.2 1,-0.3 3,-0.1 -0.392 70.7 27.6 -60.0 134.7 40.8 -3.9 -3.4 57 59 A G T 3 S+ 0 0 54 -6,-0.7 39,-0.3 1,-0.4 -1,-0.3 0.478 109.2 92.2 87.0 2.8 42.8 -0.8 -2.3 58 60 A L < - 0 0 29 -3,-1.9 -7,-2.5 37,-0.1 -1,-0.4 -0.713 60.9-145.6-122.7 174.9 42.3 0.9 -5.7 59 61 A Y E -EF 50 94A 38 35,-1.5 35,-2.2 -2,-0.2 2,-0.3 -0.995 9.3-144.9-148.7 140.1 39.6 3.3 -6.9 60 62 A A E -E 49 0A 0 -11,-2.1 -11,-2.3 -2,-0.3 2,-0.6 -0.824 22.6-135.8-101.9 153.5 37.6 4.3 -10.0 61 63 A I E -E 48 0A 1 31,-0.3 9,-2.0 -2,-0.3 2,-0.4 -0.896 19.8-161.9-119.4 100.7 36.7 8.0 -10.5 62 64 A K E -EG 47 69A 61 -15,-2.0 -15,-1.7 -2,-0.6 7,-0.3 -0.701 16.4-127.6 -91.3 125.9 33.1 8.5 -11.6 63 65 A S E > -E 46 0A 2 5,-2.7 4,-1.9 -2,-0.4 -17,-0.2 -0.529 9.1-154.3 -68.7 134.5 32.0 11.7 -13.3 64 66 A K T 4 S+ 0 0 73 -19,-2.4 -21,-0.2 -22,-0.4 -1,-0.1 0.853 94.2 48.6 -78.0 -38.3 28.9 13.3 -11.6 65 67 A A T 4 S+ 0 0 44 -23,-0.6 -1,-0.2 -20,-0.5 -22,-0.1 0.916 129.7 19.2 -61.5 -43.2 27.8 15.1 -14.7 66 68 A T T 4 S- 0 0 27 -42,-0.3 -2,-0.2 -24,-0.1 -1,-0.1 0.710 86.5-132.8-109.7 -31.0 28.1 12.1 -17.0 67 69 A G < + 0 0 27 -4,-1.9 -3,-0.1 1,-0.3 18,-0.1 0.322 67.2 121.5 85.5 -5.7 28.1 8.9 -14.8 68 70 A K - 0 0 59 -6,-0.1 -5,-2.7 16,-0.1 2,-0.3 -0.192 58.6-121.4 -86.5-179.2 31.2 7.6 -16.7 69 71 A V E -GH 62 83A 1 14,-2.2 14,-0.9 -7,-0.3 -7,-0.2 -0.924 21.1-108.2-133.7 144.6 34.5 6.6 -15.2 70 72 A L E - H 0 82A 2 -9,-2.0 2,-0.3 -2,-0.3 -9,-0.3 -0.351 32.3-168.0 -75.9 154.0 38.0 7.9 -15.9 71 73 A F E - H 0 81A 13 10,-1.7 10,-1.3 -11,-0.1 2,-0.4 -0.994 13.4-167.1-140.1 147.8 40.7 5.8 -17.7 72 74 A S E + H 0 80A 0 19,-1.8 2,-0.3 -2,-0.3 8,-0.2 -0.994 23.1 153.9-133.2 129.4 44.4 6.0 -18.2 73 75 A R - 0 0 50 6,-2.5 57,-0.0 -2,-0.4 -2,-0.0 -0.974 31.4-144.7-153.2 157.6 46.2 3.8 -20.8 74 76 A R S S+ 0 0 77 -2,-0.3 -1,-0.1 3,-0.1 5,-0.1 0.952 82.5 36.8 -98.0 -61.6 49.3 3.9 -22.9 75 77 A P S S+ 0 0 114 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.976 101.7 69.3 -65.7 -57.8 49.2 2.4 -26.4 76 78 A A S S- 0 0 51 2,-0.1 -3,-0.1 3,-0.1 0, 0.0 -0.323 91.0 -95.1 -71.3 132.4 45.6 3.3 -27.6 77 79 A E S S+ 0 0 119 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.672 104.3 42.3 -88.2 141.2 44.8 7.0 -28.4 78 80 A P S S- 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.608 73.4-158.1 -80.8 151.5 43.6 8.9 -26.6 79 81 A Y S S+ 0 0 42 -2,-0.1 -6,-2.5 -4,-0.1 2,-0.3 0.764 76.1 31.3 -65.1 -31.6 45.6 8.0 -23.5 80 82 A V E S+H 72 0A 5 -8,-0.2 2,-0.3 48,-0.2 -8,-0.2 -0.917 76.3 100.8-125.5 158.3 43.0 9.4 -21.1 81 83 A G E -H 71 0A 4 -10,-1.3 -10,-1.7 -2,-0.3 2,-0.3 -0.985 56.4 -57.5 168.1-153.0 39.3 9.9 -21.1 82 84 A Q E +H 70 0A 17 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.772 39.7 173.5-121.5 155.5 35.9 8.8 -20.0 83 85 A I E -H 69 0A 54 -14,-0.9 -14,-2.2 -2,-0.3 4,-0.2 -0.926 28.5-109.3-167.8 146.0 33.9 5.5 -20.3 84 86 A D S S+ 0 0 95 -2,-0.3 4,-0.3 -16,-0.2 3,-0.2 -0.002 76.8 65.3 -56.4 168.9 30.7 3.5 -19.4 85 87 A G S > S- 0 0 12 1,-0.1 2,-2.7 2,-0.1 3,-1.3 0.854 91.9 -99.6 74.6 106.4 30.7 0.6 -17.0 86 88 A D T 3 S- 0 0 92 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.216 98.0 -34.6 -55.4 71.1 31.7 1.4 -13.4 87 89 A G T 3 S+ 0 0 10 -2,-2.7 -1,-0.3 -4,-0.2 -2,-0.1 0.815 88.2 150.9 75.5 33.1 35.2 0.1 -13.7 88 90 A R < + 0 0 181 -3,-1.3 -2,-0.1 -4,-0.3 -3,-0.1 0.941 63.0 57.6 -52.0 -48.4 34.5 -2.7 -16.2 89 91 A Y S > S- 0 0 99 -4,-0.3 3,-1.5 1,-0.1 4,-0.0 -0.496 85.8-125.9 -93.6 152.6 38.0 -2.3 -17.6 90 92 A P G > S+ 0 0 73 0, 0.0 3,-1.2 0, 0.0 23,-0.3 0.712 105.8 74.8 -67.9 -21.9 41.4 -2.6 -15.8 91 93 A D G 3 S+ 0 0 32 1,-0.2 -19,-1.8 22,-0.1 -3,-0.0 0.518 87.3 62.2 -59.0 -13.4 42.1 0.9 -17.3 92 94 A N G < S+ 0 0 1 -3,-1.5 2,-0.4 -21,-0.2 -31,-0.3 0.353 80.5 96.2-101.6 3.3 39.7 2.5 -14.7 93 95 A W < - 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