==== 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 1W3F . 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) . 16180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 64.7 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 . 121 38.8 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 . 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 . 38 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.4 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 1 4 4 1 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 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 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.1 -3.0 78.8 89.7 2 4 A I - 0 0 59 102,-0.2 2,-0.7 1,-0.1 103,-0.1 0.392 360.0-121.4 -22.1 135.3 -5.1 77.2 92.4 3 5 A Y - 0 0 49 202,-0.1 -1,-0.1 201,-0.0 204,-0.1 -0.749 25.9-169.5 -87.9 109.4 -8.9 77.0 92.3 4 6 A I - 0 0 39 -2,-0.7 202,-0.0 202,-0.0 92,-0.0 -0.895 26.2-119.2-101.5 125.7 -10.5 78.7 95.3 5 7 A P - 0 0 0 0, 0.0 43,-0.1 0, 0.0 6,-0.0 -0.243 23.9-115.8 -63.7 145.3 -14.2 78.0 95.7 6 8 A P > - 0 0 46 0, 0.0 3,-1.5 0, 0.0 42,-0.4 -0.262 44.8 -83.0 -73.7 172.2 -16.8 80.9 95.5 7 9 A E T 3 S+ 0 0 100 1,-0.2 41,-0.1 40,-0.1 0, 0.0 0.712 120.3 51.2 -49.6 -35.4 -18.9 81.7 98.6 8 10 A G T 3 S+ 0 0 27 39,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.342 87.2 95.1 -93.9 14.2 -21.7 79.1 98.2 9 11 A L < - 0 0 0 -3,-1.5 39,-0.4 39,-0.1 2,-0.2 -0.867 62.6-142.0-107.0 133.0 -19.7 75.9 97.8 10 12 A Y + 0 0 49 -2,-0.4 137,-2.4 37,-0.1 2,-0.3 -0.624 25.0 161.2 -96.3 153.5 -18.8 73.6 100.7 11 13 A F E -AB 46 146A 0 35,-2.2 35,-2.1 135,-0.3 2,-0.3 -0.967 34.0-117.0-158.2 167.0 -15.6 71.7 101.3 12 14 A R E - B 0 145A 8 133,-1.5 133,-2.1 -2,-0.3 2,-0.9 -0.828 25.6-129.9-109.3 150.5 -13.6 69.9 104.0 13 15 A L E - B 0 144A 2 31,-0.4 9,-1.0 -2,-0.3 2,-0.4 -0.843 27.3-165.8-105.0 95.2 -10.1 71.1 105.0 14 16 A L E -CB 21 143A 34 129,-2.0 129,-1.8 -2,-0.9 2,-0.3 -0.686 13.6-134.0 -84.6 127.7 -7.9 68.0 104.8 15 17 A G E > - B 0 142A 1 5,-2.7 4,-1.9 -2,-0.4 127,-0.3 -0.624 2.9-141.8 -84.6 136.7 -4.5 68.3 106.4 16 18 A F T 4 S+ 0 0 64 125,-2.8 123,-0.1 -2,-0.3 -1,-0.1 0.954 101.8 30.5 -56.9 -52.1 -1.4 67.1 104.6 17 19 A A T 4 S+ 0 0 43 103,-0.4 104,-0.2 121,-0.4 -1,-0.2 0.931 125.8 40.5 -74.9 -51.3 0.2 65.7 107.7 18 20 A S T 4 S- 0 0 8 102,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.795 84.5-150.1 -70.9 -27.3 -2.8 64.7 109.8 19 21 A R < + 0 0 200 -4,-1.9 2,-0.3 1,-0.3 -3,-0.1 0.769 63.9 113.8 59.2 21.6 -4.6 63.3 106.8 20 22 A Q - 0 0 49 16,-0.1 -5,-2.7 -5,-0.1 -1,-0.3 -0.792 65.1-120.0-120.8 165.7 -7.6 64.4 108.9 21 23 A V E -CD 14 35A 0 14,-3.0 14,-1.9 -2,-0.3 2,-0.3 -0.744 22.8-110.8-110.2 151.7 -10.3 67.1 108.5 22 24 A I E - D 0 34A 0 -9,-1.0 2,-0.3 -2,-0.3 -9,-0.3 -0.589 32.4-166.2 -80.9 139.7 -11.2 70.1 110.6 23 25 A F E - D 0 33A 17 10,-2.4 10,-1.4 -2,-0.3 2,-0.3 -0.930 11.4-171.6-126.0 151.1 -14.6 70.0 112.5 24 26 A A E + D 0 32A 0 19,-2.1 42,-0.4 -2,-0.3 41,-0.3 -0.901 20.8 153.1-144.1 111.2 -16.6 72.8 114.2 25 27 A R - 0 0 54 6,-3.1 57,-0.1 -2,-0.3 41,-0.0 -0.772 49.0-124.5-130.2 173.7 -19.6 72.0 116.3 26 28 A N S S+ 0 0 110 1,-0.4 5,-0.1 -2,-0.2 -1,-0.1 0.773 84.2 51.2 -90.3 -29.9 -21.5 73.4 119.2 27 29 A S + 0 0 88 4,-0.1 -1,-0.4 3,-0.1 2,-0.2 -0.962 66.8 56.7-160.1 157.7 -21.2 70.3 121.3 28 30 A P S S- 0 0 82 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.433 94.5 -89.2 -59.2-177.6 -19.8 67.9 122.6 29 31 A S S S+ 0 0 118 -2,-0.2 2,-1.0 1,-0.1 3,-0.1 0.832 117.9 61.7 -33.3 -73.5 -17.2 69.8 124.8 30 32 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.499 69.0-177.3 -65.9 105.8 -14.3 70.1 122.3 31 33 A D + 0 0 61 -2,-1.0 -6,-3.1 1,-0.1 2,-0.4 0.653 63.8 33.4 -80.4 -18.7 -16.1 72.2 119.7 32 34 A V E S+D 24 0A 23 -8,-0.2 2,-0.3 48,-0.1 -8,-0.2 -1.000 77.7 99.8-139.7 138.1 -13.3 72.4 117.2 33 35 A G E -D 23 0A 12 -10,-1.4 -10,-2.4 -2,-0.4 2,-0.3 -0.917 62.5 -53.1-179.2-154.3 -10.6 69.8 116.3 34 36 A L E +D 22 0A 22 -2,-0.3 -12,-0.2 -12,-0.2 94,-0.1 -0.808 43.9 170.7-114.0 154.5 -9.6 67.1 113.8 35 37 A S E -D 21 0A 30 -14,-1.9 -14,-3.0 -2,-0.3 3,-0.1 -0.987 38.0-101.6-161.4 148.8 -11.4 64.0 112.6 36 38 A P - 0 0 85 0, 0.0 -16,-0.1 0, 0.0 -17,-0.0 -0.365 65.3 -80.7 -64.5 153.6 -11.3 61.2 110.0 37 39 A V + 0 0 63 1,-0.0 2,-0.3 2,-0.0 3,-0.1 -0.285 49.0 172.3 -63.2 139.1 -13.6 62.0 107.1 38 40 A N > - 0 0 84 3,-0.2 3,-2.0 -3,-0.1 6,-0.3 -0.828 18.0-159.5-146.3 97.2 -17.3 61.3 107.4 39 41 A D T 3 S+ 0 0 83 -2,-0.3 109,-0.1 1,-0.3 -1,-0.1 0.751 90.1 56.3 -53.1 -29.5 -19.1 62.7 104.4 40 42 A Q T 3 S+ 0 0 169 1,-0.1 2,-1.1 -3,-0.1 -1,-0.3 0.590 82.4 99.3 -81.4 -10.7 -22.4 62.7 106.3 41 43 A A X - 0 0 22 -3,-2.0 3,-2.9 1,-0.2 4,-0.3 -0.664 52.8-168.4 -84.9 99.4 -21.1 64.9 109.1 42 44 A T G > S+ 0 0 73 -2,-1.1 3,-2.0 1,-0.3 23,-0.5 0.792 83.4 80.9 -49.6 -28.7 -22.2 68.5 108.5 43 45 A D G 3 S+ 0 0 37 1,-0.3 -19,-2.1 21,-0.1 -1,-0.3 0.733 89.6 48.1 -48.2 -33.2 -19.7 69.1 111.3 44 46 A Q G < S+ 0 0 6 -3,-2.9 -31,-0.4 -6,-0.3 2,-0.3 0.416 91.0 99.3 -96.5 1.0 -16.8 68.8 108.8 45 47 A Y < + 0 0 24 -3,-2.0 19,-2.5 -4,-0.3 20,-0.5 -0.678 41.9 168.7 -96.1 144.4 -18.0 71.2 106.1 46 48 A F E -AE 11 63A 0 -35,-2.1 -35,-2.2 -2,-0.3 2,-0.3 -0.931 15.2-160.4-142.9 164.4 -17.1 74.9 105.6 47 49 A S E - E 0 62A 13 15,-1.6 15,-2.1 -2,-0.3 2,-0.3 -0.909 26.6-107.5-140.7 164.5 -17.4 77.6 102.9 48 50 A L E - E 0 61A 8 -39,-0.4 2,-0.6 -42,-0.4 13,-0.2 -0.748 11.0-150.5-103.7 148.1 -15.5 80.8 102.4 49 51 A I E - E 0 60A 32 11,-2.3 11,-1.8 -2,-0.3 2,-0.5 -0.963 26.6-132.1-113.1 111.3 -16.4 84.4 103.0 50 52 A Y E - E 0 59A 81 -2,-0.6 9,-0.2 9,-0.2 6,-0.1 -0.526 22.8-128.8 -68.1 114.8 -14.6 86.6 100.5 51 53 A G - 0 0 9 7,-2.7 6,-0.7 -2,-0.5 2,-0.3 -0.250 27.1-171.1 -63.2 150.3 -13.0 89.5 102.3 52 54 A T > + 0 0 109 4,-0.2 3,-2.1 5,-0.1 2,-0.2 -0.802 50.5 21.2-133.0 175.0 -13.6 93.0 101.0 53 55 A G G > S- 0 0 66 1,-0.3 3,-1.5 -2,-0.3 -2,-0.0 -0.452 138.1 -9.3 65.8-131.8 -12.1 96.4 101.8 54 56 A E G 3 S+ 0 0 205 1,-0.3 -1,-0.3 -2,-0.2 -3,-0.1 0.528 140.9 60.1 -76.0 -2.8 -8.7 96.1 103.5 55 57 A H G X S+ 0 0 66 -3,-2.1 3,-2.2 -5,-0.1 -4,-0.3 0.322 72.5 131.2-103.6 5.0 -9.6 92.4 103.6 56 58 A A T < S+ 0 0 68 -3,-1.5 -4,-0.2 1,-0.3 3,-0.1 -0.382 72.4 29.2 -59.1 132.2 -9.9 92.0 99.9 57 59 A G T 3 S+ 0 0 52 -6,-0.7 39,-0.4 1,-0.4 -1,-0.3 0.380 108.3 90.6 96.3 -5.4 -7.8 88.9 98.8 58 60 A L < - 0 0 29 -3,-2.2 -7,-2.7 37,-0.1 -1,-0.4 -0.739 61.3-146.3-117.5 169.1 -8.4 87.2 102.2 59 61 A Y E -EF 50 94A 43 35,-2.2 35,-3.2 -2,-0.2 2,-0.3 -0.965 9.5-143.5-141.2 154.4 -11.0 84.8 103.4 60 62 A A E -E 49 0A 0 -11,-1.8 -11,-2.3 -2,-0.3 2,-0.7 -0.861 23.3-134.0-110.4 149.1 -13.0 83.8 106.5 61 63 A I E -E 48 0A 2 31,-0.4 9,-1.8 -2,-0.3 2,-0.5 -0.877 21.1-161.0-111.9 102.8 -13.8 80.1 107.0 62 64 A K E -EG 47 69A 66 -15,-2.1 -15,-1.6 -2,-0.7 7,-0.2 -0.711 15.1-129.3 -90.3 127.1 -17.4 79.7 108.0 63 65 A S E > -E 46 0A 2 5,-3.5 4,-1.2 -2,-0.5 -17,-0.2 -0.484 8.4-152.7 -70.1 136.7 -18.6 76.5 109.7 64 66 A K T 4 S+ 0 0 71 -19,-2.5 -1,-0.1 -22,-0.4 -21,-0.1 0.855 93.9 47.4 -79.9 -34.9 -21.6 74.9 108.0 65 67 A A T 4 S+ 0 0 47 -23,-0.5 -1,-0.1 -20,-0.5 -22,-0.1 0.944 130.3 18.0 -71.0 -48.9 -22.8 73.2 111.1 66 68 A T T 4 S- 0 0 24 -42,-0.4 -2,-0.2 2,-0.1 -1,-0.1 0.663 88.3-134.4 -99.3 -19.1 -22.5 76.2 113.5 67 69 A G < + 0 0 28 -4,-1.2 -3,-0.1 1,-0.3 2,-0.0 0.388 65.0 126.6 80.1 -6.9 -22.3 79.2 111.1 68 70 A K - 0 0 52 -6,-0.1 -5,-3.5 -44,-0.1 2,-0.3 -0.276 56.6-120.8 -78.9 171.0 -19.4 80.5 113.2 69 71 A V E -GH 62 83A 1 14,-2.8 14,-0.8 -7,-0.2 -7,-0.2 -0.846 20.0-111.8-117.0 149.8 -16.1 81.5 111.7 70 72 A L E - H 0 82A 2 -9,-1.8 2,-0.3 -2,-0.3 -9,-0.3 -0.424 30.7-165.4 -77.7 154.3 -12.5 80.2 112.5 71 73 A F E - H 0 81A 14 10,-1.4 10,-1.0 -2,-0.1 2,-0.4 -0.981 12.6-163.9-140.5 151.6 -9.9 82.4 114.2 72 74 A S E + H 0 80A 0 19,-1.7 2,-0.3 -2,-0.3 8,-0.2 -0.961 24.5 152.0-138.7 117.7 -6.1 82.2 114.7 73 75 A R - 0 0 52 6,-2.6 57,-0.1 -2,-0.4 -2,-0.0 -0.934 33.8-152.6-141.7 163.7 -4.4 84.4 117.3 74 76 A R S S+ 0 0 78 -2,-0.3 -1,-0.1 3,-0.1 5,-0.1 0.763 84.7 53.5-110.1 -37.0 -1.3 84.3 119.5 75 77 A P S S+ 0 0 110 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 0.958 102.3 49.7 -61.9 -80.4 -2.0 86.3 122.5 76 78 A A S S- 0 0 50 1,-0.1 -3,-0.2 2,-0.1 0, 0.0 -0.151 92.2 -88.3 -63.0 147.5 -5.2 84.9 124.0 77 79 A E S S+ 0 0 110 2,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.813 103.0 40.4-106.0 143.0 -5.9 81.2 124.6 78 80 A P S S- 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -5,-0.1 0.573 74.6-152.4 -78.4 154.3 -6.9 79.1 122.9 79 81 A Y S S+ 0 0 44 -2,-0.1 -6,-2.6 -7,-0.1 2,-0.3 0.697 76.4 32.5 -65.9 -21.2 -5.1 80.2 119.8 80 82 A V E S+H 72 0A 5 -8,-0.2 2,-0.3 48,-0.2 -8,-0.2 -0.957 74.9 94.1-137.0 156.4 -7.7 78.7 117.5 81 83 A G E -H 71 0A 5 -10,-1.0 -10,-1.4 -2,-0.3 2,-0.2 -0.994 60.1 -46.3 163.0-159.2 -11.5 78.1 117.5 82 84 A Q E +H 70 0A 18 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.678 40.8 173.0-106.7 162.7 -14.9 79.5 116.5 83 85 A I E -H 69 0A 58 -14,-0.8 -14,-2.8 -2,-0.2 4,-0.2 -0.948 28.0-113.0-168.2 145.0 -16.6 82.8 116.9 84 86 A D S S+ 0 0 95 -2,-0.3 4,-0.3 -16,-0.2 3,-0.2 -0.138 75.2 67.2 -72.4 173.4 -19.8 84.7 115.8 85 87 A G S > S- 0 0 18 1,-0.1 2,-3.8 2,-0.1 3,-0.9 0.750 91.5 -99.7 78.7 110.8 -20.0 87.6 113.4 86 88 A D T 3 S- 0 0 91 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.199 100.7 -30.1 -60.6 62.9 -19.1 86.8 109.8 87 89 A G T 3 S+ 0 0 12 -2,-3.8 -1,-0.3 -3,-0.2 -2,-0.1 0.740 88.1 148.2 97.3 27.7 -15.6 88.1 110.1 88 90 A R < + 0 0 162 -3,-0.9 -3,-0.1 -4,-0.3 -2,-0.1 0.900 61.7 58.7 -59.7 -42.9 -16.1 90.8 112.7 89 91 A Y S > S- 0 0 90 -4,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.650 82.9-128.3 -95.9 147.4 -12.6 90.3 114.1 90 92 A P G > S+ 0 0 72 0, 0.0 3,-1.0 0, 0.0 23,-0.3 0.662 106.3 73.9 -61.9 -17.0 -9.2 90.7 112.2 91 93 A D G 3 S+ 0 0 34 1,-0.2 -19,-1.7 22,-0.1 -3,-0.1 0.562 87.0 62.8 -70.9 -15.2 -8.5 87.2 113.7 92 94 A N G < S+ 0 0 1 -3,-2.1 2,-0.5 -21,-0.2 -31,-0.4 0.459 80.5 95.0 -93.7 -3.4 -10.9 85.7 111.2 93 95 A W < - 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