==== 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 1WM7 . COMPND 2 MOLECULE: NEUROTOXIN BMP01; . SOURCE 2 ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII; . AUTHOR G.WU,Y.LI,D.WEI,F.HE,S.JIANG,G.HU,H.WU,X.CHEN . 29 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 37.9 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 . 4 13.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.4 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 87 0, 0.0 18,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.5 -7.9 -10.3 0.8 2 2 A T > + 0 0 119 1,-0.2 3,-2.2 2,-0.1 4,-0.1 0.813 360.0 162.0 46.5 46.1 -8.6 -7.2 -1.3 3 3 A a G > + 0 0 29 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.505 61.1 90.5 -75.8 9.6 -5.3 -5.5 -0.6 4 4 A E G 3 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.604 79.0 58.6 -68.6 -10.4 -6.5 -3.6 -3.7 5 5 A D G < S+ 0 0 135 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.510 105.6 51.8 -95.1 1.5 -8.0 -1.3 -1.2 6 6 A b S X S+ 0 0 19 -3,-1.2 3,-1.9 -4,-0.1 4,-0.5 0.613 78.4 87.8-103.1 -13.7 -4.6 -0.7 0.2 7 7 A P T 3 S+ 0 0 18 0, 0.0 10,-0.7 0, 0.0 20,-0.1 0.623 92.7 47.9 -81.3 -4.0 -2.2 0.3 -2.7 8 8 A E T > S+ 0 0 144 8,-0.2 3,-0.6 1,-0.1 4,-0.4 0.555 93.7 78.8 -98.5 -10.7 -3.0 3.9 -2.5 9 9 A H T < S+ 0 0 129 -3,-1.9 3,-0.4 1,-0.3 -1,-0.1 0.742 91.1 47.2 -86.2 -14.7 -2.5 4.2 1.2 10 10 A c T >>>S+ 0 0 13 -4,-0.5 5,-2.6 15,-0.2 4,-1.3 0.533 96.9 74.7 -95.9 2.1 1.3 4.3 1.4 11 11 A A T <45S+ 0 0 53 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.719 75.7 82.1 -75.1 -15.3 1.1 6.9 -1.3 12 12 A T T 345S+ 0 0 88 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.820 112.6 9.2 -53.8 -31.1 -0.0 8.9 1.6 13 13 A Q T <45S- 0 0 150 -3,-1.3 -2,-0.2 -4,-0.1 -3,-0.1 0.747 136.4 -30.6-117.0 -65.9 3.7 9.4 2.4 14 14 A N T <5S+ 0 0 130 -4,-1.3 15,-0.3 2,-0.1 -3,-0.2 0.578 107.5 19.7-125.1 -18.8 6.2 8.1 -0.1 15 15 A A < - 0 0 11 -5,-2.6 2,-0.2 1,-0.1 11,-0.1 -0.105 67.9 -94.4-139.6-148.6 5.1 5.3 -2.0 16 16 A R E -A 27 0A 153 11,-1.8 11,-1.3 -6,-0.1 2,-0.3 -0.609 53.5-103.7-136.3-156.5 2.4 3.0 -3.4 17 17 A A E +A 26 0A 2 -10,-0.7 9,-0.3 9,-0.3 2,-0.2 -0.970 28.7 177.1-160.3 166.3 1.4 -0.2 -1.6 18 18 A K E -A 25 0A 113 7,-2.7 7,-1.7 -2,-0.3 -2,-0.1 -0.803 43.6 -61.8-177.2 146.0 1.1 -4.0 -0.8 19 19 A a + 0 0 60 5,-0.3 5,-0.2 1,-0.3 -16,-0.1 -0.357 37.0 175.5 178.3 57.2 -0.1 -6.3 1.2 20 20 A D S S- 0 0 83 3,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.445 71.6 -50.3 -73.3-148.2 0.7 -6.9 5.0 21 21 A N S S- 0 0 128 2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.916 122.8 -45.3 -61.4 -30.1 -1.0 -9.5 7.3 22 22 A D S S+ 0 0 87 1,-0.4 2,-0.3 -19,-0.0 -1,-0.2 0.205 135.1 67.4-173.6 25.7 -4.1 -8.0 5.8 23 23 A K S S- 0 0 128 -17,-0.0 -1,-0.4 -20,-0.0 -2,-0.3 -0.953 81.2-129.7-153.8 124.6 -3.6 -4.2 5.9 24 24 A b - 0 0 21 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.327 25.3-176.5-112.7 173.2 -0.9 -2.9 3.6 25 25 A V E -A 18 0A 78 -7,-1.7 -7,-2.7 1,-0.2 -15,-0.2 -0.521 37.3 -9.1-150.3-153.4 2.2 -0.7 3.1 26 26 A c E +A 17 0A 65 -9,-0.3 -9,-0.3 -2,-0.1 -1,-0.2 0.052 28.5 161.4 -85.1 160.5 4.8 0.6 0.6 27 27 A E E -A 16 0A 73 -11,-1.3 -11,-1.8 -20,-0.1 -13,-0.1 -0.893 51.5 -93.8-133.4 165.6 6.0 0.2 -3.1 28 28 A P 0 0 116 0, 0.0 -13,-0.1 0, 0.0 -11,-0.1 -0.339 360.0 360.0 -81.0 167.7 8.2 3.0 -4.8 29 29 A K 0 0 225 -15,-0.3 -14,-0.1 -13,-0.1 -18,-0.0 0.974 360.0 360.0 -80.0 360.0 6.5 5.7 -6.9