==== 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 05-JUL-04 1WM8 . COMPND 2 MOLECULE: NEUROTOXIN BMP03; . SOURCE 2 ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII; . AUTHOR H.WU,F.HE,Y.LI,G.WU,C.CAO,X.CHEN . 28 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 21.4 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 . 0 0.0 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 . 2 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.6 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+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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 V 0 0 176 0, 0.0 2,-0.7 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -35.1 11.6 7.6 -0.3 2 2 A G + 0 0 72 20,-0.0 20,-0.0 2,-0.0 0, 0.0 -0.500 360.0 163.5-105.3 49.4 12.7 4.1 0.8 3 3 A a + 0 0 36 -2,-0.7 19,-0.1 1,-0.2 20,-0.0 -0.051 23.1 100.3 -68.7 178.7 9.2 2.7 0.3 4 4 A E S S+ 0 0 168 14,-0.0 4,-0.4 15,-0.0 -1,-0.2 -0.423 80.6 52.4 145.8 -55.3 8.1 -1.0 -0.0 5 5 A E S >> S+ 0 0 177 1,-0.2 3,-1.2 2,-0.1 4,-1.1 0.916 93.5 70.6 -71.7 -42.0 6.6 -2.1 3.3 6 6 A b T 34 S+ 0 0 52 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.795 102.5 38.1 -54.5 -50.9 4.0 0.6 4.0 7 7 A P T >4 S+ 0 0 11 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.767 104.1 71.9 -70.9 -17.6 1.4 -0.1 1.3 8 8 A M G X4 S+ 0 0 111 -3,-1.2 3,-1.6 -4,-0.4 -2,-0.2 0.962 86.9 63.2 -61.5 -50.0 1.7 -3.9 1.7 9 9 A H G 3< S+ 0 0 133 -4,-1.1 -1,-0.2 1,-0.3 -3,-0.1 0.718 82.9 78.1 -37.6 -43.4 0.0 -4.1 5.1 10 10 A c G < + 0 0 11 -3,-0.7 2,-0.9 -4,-0.4 4,-0.3 0.793 59.4 108.4 -39.9 -50.6 -3.3 -2.8 3.8 11 11 A K < + 0 0 113 -3,-1.6 4,-0.1 -4,-0.4 -1,-0.1 -0.036 39.2 119.3 -34.3 72.9 -4.2 -6.2 2.3 12 12 A G S S- 0 0 57 -2,-0.9 -1,-0.2 2,-0.4 -2,-0.1 -0.313 99.6 -37.3-141.2 56.1 -6.9 -6.9 5.0 13 13 A K S S+ 0 0 195 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.400 129.6 12.6 130.6 -52.4 -10.1 -7.2 2.9 14 14 A N S S+ 0 0 82 -4,-0.3 -2,-0.4 2,-0.0 2,-0.2 -0.968 90.4 54.9-156.0 146.0 -9.5 -4.6 0.3 15 15 A A + 0 0 18 -2,-0.3 -2,-0.1 -4,-0.1 11,-0.1 -0.722 38.7 148.7 127.7-170.0 -6.7 -2.3 -1.2 16 16 A N + 0 0 77 -2,-0.2 -6,-0.1 9,-0.2 -5,-0.1 -0.603 27.1 93.6 155.2 -90.9 -3.1 -3.3 -2.5 17 17 A P S S- 0 0 99 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.774 71.2 -10.3 -48.4-129.1 -0.9 -1.6 -5.4 18 18 A T - 0 0 129 1,-0.1 -2,-0.1 6,-0.0 -14,-0.0 0.320 55.5-117.9 -69.5-167.8 1.9 1.0 -5.4 19 19 A a - 0 0 15 5,-0.1 6,-0.1 -13,-0.0 -1,-0.1 0.799 32.3-131.4-103.7 -30.5 3.2 3.3 -2.7 20 20 A D - 0 0 71 4,-0.1 3,-0.0 -17,-0.0 -2,-0.0 0.980 53.8 -71.4 74.8 55.8 2.5 6.7 -4.0 21 21 A D S S- 0 0 151 1,-0.2 -18,-0.0 -20,-0.1 0, 0.0 -0.199 101.6 -19.7 71.2-151.1 5.8 8.4 -3.5 22 22 A G S S+ 0 0 37 -21,-0.1 -1,-0.2 -19,-0.1 -20,-0.0 0.996 130.7 59.0 -56.3 -65.4 7.0 9.3 -0.0 23 23 A V S S+ 0 0 100 -20,-0.0 2,-0.2 -22,-0.0 -20,-0.0 0.002 70.9 165.4 -57.2 170.9 3.5 9.1 1.5 24 24 A b + 0 0 17 -18,-0.1 2,-0.3 -21,-0.0 -5,-0.1 -0.955 11.1 121.2-179.9 167.4 1.5 5.7 1.3 25 25 A N - 0 0 98 -2,-0.2 -9,-0.2 -6,-0.1 2,-0.1 -0.982 62.0 -49.9 158.7-162.1 -1.6 3.8 2.7 26 26 A c + 0 0 53 -2,-0.3 -11,-0.1 1,-0.1 -18,-0.0 -0.293 67.7 118.8 -90.0-170.3 -4.8 2.2 1.4 27 27 A N 0 0 113 -2,-0.1 -1,-0.1 -13,-0.1 -12,-0.1 -0.155 360.0 360.0 148.5 -46.9 -7.3 4.0 -0.9 28 28 A V 0 0 145 -14,-0.0 -12,-0.0 0, 0.0 -14,-0.0 -0.339 360.0 360.0 75.3 360.0 -7.7 2.3 -4.3