==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 23-MAY-01 1H5O . COMPND 2 MOLECULE: MYOTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CROTALUS DURISSUS TERRIFICUS; . AUTHOR G.NICASTRO,L.FRANZONI,C.DE CHIARA,C.A.MANCIN,J.R.GIGLIO, . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 50.0 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 . 8 19.0 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 . 0 0.0 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 . 4 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.4 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 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 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 . 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 Y > 0 0 201 0, 0.0 4,-0.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 17.8 28.6 -46.9 9.1 2 2 A K H > + 0 0 159 27,-0.2 4,-0.6 2,-0.1 27,-0.1 0.978 360.0 21.4 -79.9 -55.2 30.6 -43.7 9.9 3 3 A Q H > S+ 0 0 83 2,-0.1 4,-1.7 1,-0.1 3,-0.4 0.933 124.7 50.7 -76.7 -47.9 33.8 -45.1 11.5 4 4 A a H >>S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-1.4 0.894 108.1 50.8 -64.0 -40.3 33.8 -48.6 10.1 5 5 A H H <5S+ 0 0 134 -4,-0.6 -1,-0.2 3,-0.2 -2,-0.1 0.818 108.0 54.9 -67.0 -29.4 33.3 -47.8 6.5 6 6 A K H <5S+ 0 0 174 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.946 115.8 33.3 -71.0 -48.8 36.2 -45.2 6.5 7 7 A K H <5S- 0 0 125 -4,-1.7 35,-0.2 34,-0.0 -2,-0.2 0.952 123.9 -87.0 -72.9 -50.1 39.0 -47.6 7.8 8 8 A G T <5S+ 0 0 4 -4,-1.9 31,-1.6 -5,-0.3 32,-0.6 0.396 82.1 103.2 136.8 69.1 37.9 -50.9 6.2 9 9 A G E < -A 38 0A 2 -5,-1.4 2,-0.3 29,-0.2 29,-0.2 -0.993 46.9-142.7-165.9 163.9 35.4 -52.9 8.2 10 10 A H E -A 37 0A 73 27,-0.6 27,-2.3 -2,-0.3 2,-0.3 -0.996 29.1-111.0-137.5 144.0 31.7 -53.9 8.6 11 11 A b E +A 36 0A 37 -2,-0.3 25,-0.3 25,-0.3 16,-0.0 -0.558 41.3 166.1 -78.8 133.6 29.6 -54.4 11.8 12 12 A F E -A 35 0A 85 23,-2.8 23,-2.7 -2,-0.3 6,-0.0 -0.997 41.8 -95.0-139.9 146.9 28.6 -57.9 12.6 13 13 A P E > -A 34 0A 31 0, 0.0 3,-0.9 0, 0.0 21,-0.2 -0.165 42.5-108.3 -52.6 152.9 27.1 -59.6 15.7 14 14 A K T 3 S+ 0 0 114 19,-1.5 20,-0.1 1,-0.2 19,-0.0 0.739 115.2 51.2 -58.9 -23.6 29.7 -61.2 18.0 15 15 A E T 3 S+ 0 0 118 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.712 87.7 93.3 -89.4 -23.5 28.5 -64.7 17.1 16 16 A K S < S- 0 0 120 -3,-0.9 2,-0.3 1,-0.1 -4,-0.1 -0.359 83.6 -94.9 -79.6 155.7 28.6 -64.6 13.2 17 17 A I - 0 0 152 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.461 31.9-169.5 -74.6 130.5 31.6 -65.7 11.2 18 18 A c - 0 0 30 -2,-0.3 5,-0.0 3,-0.0 6,-0.0 -0.936 26.3-124.9-108.9 139.2 34.2 -63.2 10.0 19 19 A L S S+ 0 0 144 -2,-0.4 -2,-0.0 1,-0.1 18,-0.0 -0.943 105.4 33.5-133.2 111.3 36.6 -64.6 7.5 20 20 A P S S- 0 0 73 0, 0.0 3,-0.3 0, 0.0 18,-0.1 0.475 94.5-160.5 -72.7 159.4 39.4 -64.3 8.3 21 21 A P S S+ 0 0 94 0, 0.0 2,-1.4 0, 0.0 -2,-0.1 0.861 71.4 62.5 -86.0 -38.1 38.3 -64.8 11.9 22 22 A S S S+ 0 0 118 1,-0.1 2,-0.2 15,-0.0 -3,-0.0 -0.370 85.2 80.6 -93.6 62.4 41.1 -63.4 14.2 23 23 A S + 0 0 19 -2,-1.4 15,-2.7 -3,-0.3 2,-0.4 -0.657 57.2 142.3-162.5 98.3 41.1 -59.7 13.1 24 24 A D B -B 37 0A 70 13,-0.3 13,-0.3 -2,-0.2 2,-0.2 -0.994 39.2-144.6-150.4 141.9 38.4 -57.4 14.5 25 25 A F - 0 0 60 11,-3.4 11,-0.3 -2,-0.4 3,-0.1 -0.674 28.4-135.0 -94.3 159.9 37.7 -53.9 15.8 26 26 A G - 0 0 44 -2,-0.2 10,-1.9 9,-0.2 2,-1.9 0.558 67.5 -16.2 -89.2-124.9 35.2 -53.5 18.7 27 27 A K S S+ 0 0 140 1,-0.2 -1,-0.2 8,-0.2 8,-0.1 -0.521 76.9 149.0 -84.9 77.4 32.4 -51.0 19.1 28 28 A M S S- 0 0 39 -2,-1.9 -1,-0.2 1,-0.1 -2,-0.1 0.989 82.9 -19.0 -73.4 -64.0 33.5 -48.6 16.3 29 29 A D S S+ 0 0 63 -3,-0.3 2,-0.2 -27,-0.1 -27,-0.2 -0.224 122.2 71.2-138.4 44.5 30.2 -47.2 15.0 30 30 A b S S- 0 0 48 1,-0.2 6,-0.1 4,-0.1 -4,-0.0 -0.823 80.8 -64.5-153.3-176.8 27.7 -49.8 16.3 31 31 A R > - 0 0 165 -2,-0.2 3,-0.5 4,-0.1 -1,-0.2 -0.015 53.6 -91.1 -79.8-177.7 25.9 -51.2 19.3 32 32 A W T 3 S+ 0 0 180 1,-0.2 -1,-0.1 -5,-0.1 -2,-0.0 0.949 119.5 38.4 -60.9 -56.9 27.2 -53.1 22.4 33 33 A R T 3 S+ 0 0 160 2,-0.0 -19,-1.5 -20,-0.0 2,-0.3 0.535 107.0 77.2 -77.1 -4.4 27.0 -56.8 21.3 34 34 A W E < -A 13 0A 100 -3,-0.5 2,-0.3 -21,-0.2 -4,-0.1 -0.774 60.0-169.9-108.6 153.0 28.1 -56.1 17.7 35 35 A K E -A 12 0A 74 -23,-2.7 -23,-2.8 -2,-0.3 2,-0.6 -0.971 25.1-114.8-140.2 153.6 31.6 -55.4 16.5 36 36 A a E -A 11 0A 0 -10,-1.9 -11,-3.4 -2,-0.3 -25,-0.3 -0.769 31.4-136.4 -91.1 124.2 33.3 -54.2 13.3 37 37 A c E -AB 10 24A 7 -27,-2.3 -27,-0.6 -2,-0.6 2,-0.5 -0.409 18.8-128.3 -79.2 155.9 35.6 -56.9 11.6 38 38 A K E +A 9 0A 88 -15,-2.7 -29,-0.2 -29,-0.2 -1,-0.1 -0.890 53.6 118.5-114.7 129.2 39.0 -55.8 10.3 39 39 A K - 0 0 111 -31,-1.6 -30,-0.1 -2,-0.5 -1,-0.1 0.345 55.2-129.8-146.0 -63.5 40.5 -56.3 6.9 40 40 A G S S+ 0 0 47 -32,-0.6 2,-1.8 2,-0.4 -31,-0.1 -0.183 80.1 88.0 136.8 -47.9 41.3 -53.2 4.9 41 41 A S 0 0 111 -33,-0.1 -33,-0.1 1,-0.1 -34,-0.0 -0.368 360.0 360.0 -85.4 64.5 39.8 -53.5 1.4 42 42 A G 0 0 58 -2,-1.8 -2,-0.4 -35,-0.2 -3,-0.2 -0.589 360.0 360.0 76.7 360.0 36.4 -52.0 2.2