==== 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/LECTIN 15-JUL-04 1W3G . COMPND 2 MOLECULE: HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS; . 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) . 16228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 60.3 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 . 116 37.2 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 . 1 0.3 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 . 32 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 4 0 4 4 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 0 216 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.8 47.5 8.5 6.5 2 4 A I - 0 0 59 1,-0.1 2,-0.6 102,-0.0 103,-0.1 -0.212 360.0-103.9 -63.6 152.9 45.8 10.9 4.0 3 5 A Y - 0 0 47 202,-0.1 -1,-0.1 201,-0.0 204,-0.1 -0.720 34.4-170.5 -86.2 115.6 42.0 11.2 4.0 4 6 A I - 0 0 36 -2,-0.6 202,-0.0 -3,-0.0 92,-0.0 -0.920 25.9-120.3-106.2 123.2 40.3 9.4 1.1 5 7 A P - 0 0 0 0, 0.0 6,-0.0 0, 0.0 43,-0.0 -0.186 24.2-115.3 -61.5 150.0 36.6 10.1 0.8 6 8 A P > - 0 0 42 0, 0.0 3,-1.3 0, 0.0 42,-0.5 -0.230 44.1 -84.1 -76.5 177.8 34.1 7.3 1.0 7 9 A E T 3 S+ 0 0 102 1,-0.2 41,-0.1 40,-0.1 0, 0.0 0.765 121.5 51.0 -57.7 -30.2 31.9 6.4 -2.0 8 10 A G T 3 S+ 0 0 25 281,-0.1 2,-0.4 39,-0.1 -1,-0.2 0.453 86.8 94.7 -93.2 6.0 29.2 9.0 -1.6 9 11 A L < - 0 0 0 -3,-1.3 39,-0.4 39,-0.1 2,-0.2 -0.794 62.5-143.0-100.2 134.8 31.2 12.2 -1.2 10 12 A Y + 0 0 53 -2,-0.4 137,-2.0 37,-0.1 2,-0.3 -0.639 24.6 161.6 -98.3 155.2 32.0 14.5 -4.2 11 13 A F E -AB 46 146A 1 35,-2.4 35,-2.5 135,-0.3 2,-0.3 -0.961 34.4-114.9-159.0 170.3 35.2 16.4 -5.0 12 14 A R E - B 0 145A 7 133,-1.0 133,-2.3 -2,-0.3 2,-0.9 -0.841 25.9-131.4-110.6 148.5 37.3 18.2 -7.6 13 15 A L E - B 0 144A 2 -2,-0.3 9,-1.2 31,-0.3 2,-0.4 -0.861 28.6-167.2-104.6 97.6 40.7 17.0 -8.6 14 16 A L E -CB 21 143A 33 129,-2.0 129,-2.1 -2,-0.9 2,-0.3 -0.730 13.1-134.0 -89.4 129.7 43.0 20.1 -8.4 15 17 A G E > - B 0 142A 1 5,-2.4 4,-1.6 -2,-0.4 127,-0.2 -0.643 2.9-143.8 -87.4 137.2 46.4 19.9 -9.9 16 18 A F T 4 S+ 0 0 61 125,-2.1 -1,-0.1 -2,-0.3 123,-0.1 0.939 100.9 32.2 -58.4 -50.2 49.5 21.1 -8.1 17 19 A A T 4 S+ 0 0 40 103,-0.4 104,-0.2 124,-0.4 -1,-0.1 0.980 126.1 37.5 -72.6 -63.3 51.1 22.4 -11.3 18 20 A S T 4 S- 0 0 9 102,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.747 87.7-146.6 -63.5 -24.8 48.2 23.5 -13.4 19 21 A R < + 0 0 201 -4,-1.6 2,-0.3 1,-0.3 -3,-0.1 0.783 63.0 116.9 58.5 25.4 46.3 24.8 -10.4 20 22 A Q - 0 0 51 16,-0.1 -5,-2.4 -5,-0.1 -1,-0.3 -0.865 64.4-117.8-125.6 159.2 43.3 23.6 -12.4 21 23 A V E -CD 14 35A 0 14,-2.6 14,-2.3 -2,-0.3 2,-0.2 -0.651 25.2-114.4 -98.7 147.5 40.5 21.0 -12.0 22 24 A I E - D 0 34A 0 -9,-1.2 2,-0.3 -2,-0.3 -9,-0.3 -0.575 32.4-165.1 -78.7 140.8 39.7 18.0 -14.2 23 25 A F E - D 0 33A 17 10,-2.9 10,-1.8 -2,-0.2 2,-0.3 -0.952 13.6-173.9-128.6 149.8 36.4 18.0 -16.0 24 26 A A E + D 0 32A 0 19,-1.7 41,-0.3 -2,-0.3 42,-0.3 -0.918 21.4 151.9-143.3 112.8 34.4 15.3 -17.8 25 27 A R - 0 0 53 6,-2.7 57,-0.1 -2,-0.3 41,-0.1 -0.733 51.7-118.7-130.8 179.0 31.3 16.1 -19.8 26 28 A N S S+ 0 0 112 1,-0.4 5,-0.1 -2,-0.2 6,-0.1 0.593 84.3 48.8 -96.9 -13.7 29.3 14.8 -22.7 27 29 A S + 0 0 84 4,-0.1 -1,-0.4 3,-0.1 2,-0.2 -0.906 62.6 56.4-179.4 160.5 29.8 18.0 -24.8 28 30 A P S S- 0 0 85 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.350 96.5 -74.4 -58.5-168.0 31.1 20.3 -26.2 29 31 A S S S+ 0 0 120 -2,-0.2 2,-0.5 2,-0.1 0, 0.0 0.767 119.2 57.2 -28.1 -74.7 33.8 18.8 -28.4 30 32 A P - 0 0 73 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 -0.579 68.6-163.3 -72.9 121.7 36.6 17.8 -25.9 31 33 A D S S+ 0 0 73 -2,-0.5 -6,-2.7 1,-0.1 2,-0.3 0.822 70.2 24.0 -73.2 -36.1 35.0 15.4 -23.4 32 34 A V E S+D 24 0A 21 -8,-0.2 2,-0.3 48,-0.1 -8,-0.2 -0.956 77.0 107.5-131.2 152.4 37.7 15.6 -20.7 33 35 A G E -D 23 0A 12 -10,-1.8 -10,-2.9 -2,-0.3 2,-0.3 -0.971 58.4 -56.0 173.1-159.9 40.2 18.3 -19.8 34 36 A L E +D 22 0A 23 -2,-0.3 -12,-0.2 -12,-0.2 94,-0.1 -0.825 43.1 170.6-113.8 151.2 41.2 21.0 -17.3 35 37 A S E -D 21 0A 31 -14,-2.3 -14,-2.6 -2,-0.3 3,-0.1 -0.996 39.3 -98.1-157.0 151.1 39.4 24.0 -16.1 36 38 A P - 0 0 81 0, 0.0 -16,-0.1 0, 0.0 -17,-0.0 -0.396 64.9 -83.9 -63.4 146.7 39.5 26.8 -13.6 37 39 A V + 0 0 62 2,-0.0 2,-0.3 1,-0.0 3,-0.0 -0.231 48.7 174.8 -56.2 140.6 37.3 26.0 -10.6 38 40 A N > - 0 0 86 3,-0.2 3,-2.1 -3,-0.1 6,-0.3 -0.818 21.8-152.1-147.8 97.5 33.6 26.8 -11.0 39 41 A D T 3 S+ 0 0 98 -2,-0.3 109,-0.2 1,-0.3 -2,-0.0 0.611 93.3 50.5 -51.3 -15.6 31.8 25.5 -7.9 40 42 A Q T 3 S+ 0 0 172 1,-0.0 2,-1.2 2,-0.0 -1,-0.3 0.585 78.6 103.7-101.9 -9.7 28.6 25.1 -9.9 41 43 A A X - 0 0 24 -3,-2.1 3,-2.6 1,-0.2 -3,-0.2 -0.611 52.5-165.7 -75.4 99.5 29.9 23.2 -12.9 42 44 A T G > S+ 0 0 73 -2,-1.2 3,-2.3 1,-0.3 23,-0.4 0.831 84.5 80.0 -50.8 -31.0 28.7 19.6 -12.1 43 45 A D G 3 S+ 0 0 35 1,-0.3 -19,-1.7 21,-0.1 -1,-0.3 0.772 88.0 51.4 -41.3 -41.4 31.3 19.0 -14.8 44 46 A Q G < S+ 0 0 5 -3,-2.6 2,-0.4 -6,-0.3 -31,-0.3 0.296 89.6 96.4 -90.2 7.8 34.1 19.3 -12.3 45 47 A Y < + 0 0 22 -3,-2.3 19,-2.7 -4,-0.1 20,-0.5 -0.810 41.7 167.2-106.4 142.1 32.9 16.8 -9.6 46 48 A F E -AE 11 63A 0 -35,-2.5 -35,-2.4 -2,-0.4 2,-0.3 -0.929 14.4-162.0-141.4 162.8 33.8 13.2 -9.2 47 49 A S E - E 0 62A 12 15,-1.5 15,-2.3 -2,-0.3 2,-0.3 -0.848 26.4-107.1-137.6 171.1 33.4 10.6 -6.5 48 50 A L E - E 0 61A 7 -42,-0.5 2,-0.6 -39,-0.4 13,-0.2 -0.782 9.8-150.2-110.5 152.1 35.2 7.3 -6.0 49 51 A I E - E 0 60A 32 11,-1.8 11,-1.6 -2,-0.3 2,-0.4 -0.977 28.8-129.7-116.2 112.0 34.3 3.7 -6.4 50 52 A Y E - E 0 59A 80 -2,-0.6 9,-0.2 9,-0.2 6,-0.1 -0.504 23.2-127.0 -67.5 119.4 36.2 1.5 -3.9 51 53 A G - 0 0 9 7,-2.5 6,-0.6 -2,-0.4 2,-0.3 -0.285 28.7-171.6 -64.9 149.4 37.9 -1.4 -5.7 52 54 A T > + 0 0 109 4,-0.2 3,-2.3 5,-0.1 2,-0.2 -0.789 49.9 19.6-132.1 176.5 37.3 -4.9 -4.4 53 55 A G G > S- 0 0 67 1,-0.3 3,-1.1 -2,-0.3 -2,-0.0 -0.415 137.4 -8.3 64.4-128.2 38.7 -8.3 -5.2 54 56 A E G 3 S+ 0 0 202 1,-0.2 -1,-0.3 -2,-0.2 -3,-0.1 0.538 140.9 58.6 -79.6 -3.7 42.1 -8.0 -6.9 55 57 A H G X S+ 0 0 66 -3,-2.3 3,-2.2 -5,-0.1 -4,-0.3 0.432 72.8 132.1-101.4 -3.7 41.4 -4.3 -7.1 56 58 A A T < S+ 0 0 68 -3,-1.1 -4,-0.2 1,-0.3 3,-0.1 -0.251 72.2 30.3 -50.9 130.8 41.0 -3.8 -3.3 57 59 A G T 3 S+ 0 0 50 -6,-0.6 39,-0.3 1,-0.4 -1,-0.3 0.429 107.7 90.4 96.0 -0.8 43.0 -0.8 -2.3 58 60 A L < - 0 0 27 -3,-2.2 -7,-2.5 37,-0.1 -1,-0.4 -0.741 61.0-146.6-120.7 171.1 42.5 0.9 -5.7 59 61 A Y E -EF 50 94A 39 35,-2.1 35,-2.9 -2,-0.2 2,-0.4 -0.976 10.5-142.2-143.7 154.4 39.9 3.3 -6.9 60 62 A A E -E 49 0A 0 -11,-1.6 -11,-1.8 -2,-0.3 2,-0.7 -0.885 23.2-135.8-110.8 144.4 37.9 4.3 -10.0 61 63 A I E -E 48 0A 4 31,-0.4 9,-2.2 -2,-0.4 2,-0.4 -0.888 22.8-160.6-107.3 107.1 37.2 8.0 -10.5 62 64 A K E -EG 47 69A 62 -15,-2.3 -15,-1.5 -2,-0.7 7,-0.2 -0.746 15.2-127.6 -95.3 129.0 33.5 8.5 -11.5 63 65 A S E > -E 46 0A 2 5,-3.4 4,-2.1 -2,-0.4 -17,-0.2 -0.507 9.2-155.0 -70.3 131.8 32.2 11.7 -13.3 64 66 A K T 4 S+ 0 0 75 -19,-2.7 -1,-0.2 -22,-0.3 -18,-0.1 0.827 95.8 46.3 -77.4 -30.5 29.2 13.1 -11.5 65 67 A A T 4 S+ 0 0 42 -20,-0.5 -1,-0.2 -23,-0.4 -22,-0.1 0.849 129.8 21.2 -78.2 -34.7 28.0 14.8 -14.7 66 68 A T T 4 S- 0 0 25 -42,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.675 83.9-136.8-109.4 -21.1 28.5 11.7 -16.9 67 69 A G < + 0 0 28 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.0 0.253 65.9 127.9 79.6 -16.4 28.5 8.7 -14.6 68 70 A K - 0 0 59 -6,-0.1 -5,-3.4 1,-0.1 -1,-0.3 -0.287 57.2-125.0 -71.8 161.0 31.5 7.6 -16.8 69 71 A V E -GH 62 83A 1 14,-2.9 14,-0.6 -7,-0.2 -7,-0.2 -0.792 19.5-113.8-109.1 148.0 34.8 6.5 -15.2 70 72 A L E - H 0 82A 1 -9,-2.2 -9,-0.3 -2,-0.3 2,-0.3 -0.452 32.4-169.4 -78.7 154.8 38.3 7.9 -16.0 71 73 A F E - H 0 81A 14 10,-1.6 10,-1.0 -2,-0.1 2,-0.3 -0.952 13.6-163.1-141.7 161.0 40.9 5.7 -17.6 72 74 A S E + H 0 80A 0 19,-1.2 2,-0.3 -2,-0.3 8,-0.2 -0.913 20.6 154.6-150.3 117.2 44.7 5.9 -18.3 73 75 A R - 0 0 57 6,-2.4 57,-0.1 -2,-0.3 -2,-0.0 -0.963 31.3-149.6-140.9 156.1 46.6 3.7 -20.8 74 76 A R S S+ 0 0 77 -2,-0.3 5,-0.1 40,-0.1 -1,-0.1 0.698 86.5 47.7-104.1 -21.4 49.8 4.1 -22.8 75 77 A P S S+ 0 0 106 0, 0.0 4,-0.1 0, 0.0 2,-0.1 0.957 101.4 55.6 -81.7 -69.6 49.3 2.1 -26.0 76 78 A A S S- 0 0 48 3,-0.1 -3,-0.2 2,-0.1 0, 0.0 -0.301 92.2 -91.5 -67.1 141.2 45.9 3.1 -27.4 77 79 A E S S+ 0 0 113 2,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.773 103.6 43.2-101.1 143.4 45.1 6.8 -28.1 78 80 A P S S- 0 0 66 0, 0.0 -5,-0.1 0, 0.0 -2,-0.1 0.574 73.8-155.1 -77.1 154.6 43.8 8.8 -26.5 79 81 A Y S S+ 0 0 46 -2,-0.1 -6,-2.4 -5,-0.1 2,-0.3 0.707 75.7 29.9 -67.7 -22.0 45.8 7.9 -23.4 80 82 A V E S+H 72 0A 6 -8,-0.2 2,-0.3 48,-0.1 -8,-0.2 -0.958 74.3 96.9-138.4 157.6 43.1 9.4 -21.1 81 83 A G E -H 71 0A 1 -10,-1.0 -10,-1.6 -2,-0.3 2,-0.2 -0.990 59.5 -54.6 164.1-158.3 39.4 9.9 -21.1 82 84 A Q E +H 70 0A 15 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.642 40.4 173.2-109.8 170.2 36.0 8.6 -19.9 83 85 A I E -H 69 0A 58 -14,-0.6 -14,-2.9 -2,-0.2 4,-0.2 -0.893 28.8-110.5-176.3 144.3 34.2 5.3 -20.4 84 86 A D S S+ 0 0 95 -2,-0.3 4,-0.3 -16,-0.2 3,-0.3 -0.051 77.4 70.9 -69.6 179.1 31.1 3.4 -19.3 85 87 A G S > S- 0 0 19 1,-0.2 2,-3.3 2,-0.1 3,-2.4 0.924 90.3-105.6 71.1 94.0 31.1 0.4 -16.9 86 88 A D T 3 S- 0 0 87 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.136 100.6 -24.9 -47.4 64.8 32.0 1.5 -13.4 87 89 A G T 3 S+ 0 0 12 -2,-3.3 -1,-0.3 -3,-0.3 -2,-0.1 0.696 91.4 147.1 96.0 22.8 35.5 -0.0 -13.6 88 90 A R < + 0 0 161 -3,-2.4 -2,-0.1 -4,-0.3 -3,-0.1 0.908 63.7 53.1 -56.5 -43.9 34.7 -2.6 -16.3 89 91 A Y S > S- 0 0 98 -4,-0.4 3,-2.3 1,-0.1 4,-0.2 -0.695 86.7-123.4 -99.5 148.9 38.2 -2.3 -17.7 90 92 A P G > S+ 0 0 72 0, 0.0 3,-0.9 0, 0.0 23,-0.3 0.663 108.2 73.9 -58.9 -16.1 41.6 -2.6 -15.8 91 93 A D G 3 S+ 0 0 29 1,-0.2 -19,-1.2 22,-0.1 -3,-0.1 0.515 84.7 65.3 -73.4 -10.5 42.3 0.9 -17.1 92 94 A N G < S+ 0 0 0 -3,-2.3 2,-0.5 -21,-0.2 -31,-0.4 0.514 81.6 92.6 -94.1 -4.7 39.8 2.4 -14.7 93 95 A W < - 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