==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 02-AUG-96 1MVI . COMPND 2 MOLECULE: MVIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS MAGUS; . AUTHOR K.J.NIELSEN,L.THOMAS,R.J.LEWIS,P.F.ALEWOOD,D.J.CRAIK . 25 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 24.0 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 . 2 8.0 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 . 3 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 16.0 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+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 . 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 PARALLEL BRIDGES PER LADDER . 3 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 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 a 0 0 114 0, 0.0 2,-0.4 0, 0.0 14,-0.3 0.000 360.0 360.0 360.0-165.6 15.1 26.6 -4.2 2 2 A K B -a 15 0A 67 12,-1.0 14,-1.4 11,-0.1 15,-0.3 -0.992 360.0-128.7-130.9 131.9 13.0 25.2 -7.0 3 3 A G > - 0 0 49 -2,-0.4 3,-1.5 12,-0.2 2,-1.3 -0.336 45.2 -81.1 -73.8 157.9 10.3 22.5 -6.8 4 4 A K T 3 S+ 0 0 150 1,-0.3 -1,-0.1 20,-0.1 16,-0.0 -0.456 126.2 38.1 -66.0 93.8 10.3 19.4 -9.0 5 5 A G T 3 S+ 0 0 52 -2,-1.3 -1,-0.3 1,-0.2 2,-0.2 0.365 89.2 128.0 137.0 17.5 8.8 20.9 -12.2 6 6 A A S < S- 0 0 21 -3,-1.5 19,-2.5 -4,-0.1 2,-2.0 -0.598 74.0 -97.7 -96.5 158.2 10.5 24.3 -12.1 7 7 A K B +B 24 0B 161 -2,-0.2 17,-0.2 17,-0.2 -1,-0.0 -0.527 61.0 165.0 -76.7 81.8 12.5 25.9 -14.9 8 8 A b - 0 0 5 -2,-2.0 2,-0.3 15,-0.8 5,-0.1 0.148 24.8-133.0 -80.2-158.0 16.0 24.9 -13.7 9 9 A S B > -D 12 0C 36 3,-1.5 3,-1.9 1,-0.1 14,-0.4 -0.979 21.3-114.2-160.1 152.9 19.2 25.0 -15.7 10 10 A R T 3 S+ 0 0 183 12,-0.5 3,-0.1 -2,-0.3 12,-0.1 0.864 122.8 41.3 -57.2 -37.9 22.2 22.8 -16.5 11 11 A L T 3 S+ 0 0 167 1,-0.2 -1,-0.3 11,-0.1 2,-0.3 0.131 114.2 60.0 -96.5 17.5 24.5 25.3 -14.6 12 12 A M B < -D 9 0C 111 -3,-1.9 -3,-1.5 6,-0.0 2,-1.2 -0.746 51.8-177.8-151.8 96.0 21.9 25.8 -11.8 13 13 A Y + 0 0 150 -2,-0.3 5,-0.4 1,-0.2 -11,-0.1 -0.346 30.1 153.9 -89.1 51.4 20.8 22.8 -9.7 14 14 A D + 0 0 37 -2,-1.2 -12,-1.0 -5,-0.2 -1,-0.2 0.640 31.7 110.9 -55.7 -21.8 18.5 25.4 -8.0 15 15 A c B > S-a 2 0A 7 -14,-0.3 3,-1.7 -3,-0.3 -12,-0.2 -0.276 81.8-118.3 -59.8 145.1 16.1 22.6 -7.1 16 16 A a T 3 S+ 0 0 102 -14,-1.4 -1,-0.1 1,-0.3 -13,-0.1 0.852 114.6 30.2 -52.5 -39.6 15.9 21.8 -3.4 17 17 A T T 3 S- 0 0 96 -15,-0.3 -1,-0.3 0, 0.0 -3,-0.1 -0.188 118.6 -99.8-115.5 40.0 17.2 18.3 -4.0 18 18 A G S < S+ 0 0 46 -3,-1.7 -2,-0.1 -5,-0.4 -4,-0.1 0.859 73.7 148.9 42.9 43.1 19.3 18.9 -7.1 19 19 A S + 0 0 36 -17,-0.2 -1,-0.1 -6,-0.1 5,-0.1 0.548 19.2 135.4 -78.8 -12.9 16.4 17.5 -9.1 20 20 A b - 0 0 12 5,-0.3 2,-0.5 1,-0.1 5,-0.3 -0.102 40.1-163.7 -45.2 127.9 17.3 19.8 -12.1 21 21 A R B > -C 24 0B 156 3,-1.3 3,-0.7 0, 0.0 -11,-0.1 -0.675 67.0 -69.2-118.9 70.6 17.2 17.9 -15.4 22 22 A S T 3 S- 0 0 79 -2,-0.5 -12,-0.5 1,-0.3 3,-0.1 0.731 126.5 -9.2 49.7 29.0 19.2 20.3 -17.6 23 23 A G T 3 S+ 0 0 23 -14,-0.4 -15,-0.8 1,-0.1 2,-0.5 0.187 125.8 76.3 140.7 -16.6 16.3 22.8 -17.3 24 24 A K B < BC 7 21B 77 -3,-0.7 -3,-1.3 -17,-0.2 -17,-0.2 -0.962 360.0 360.0-125.5 115.5 13.4 20.9 -15.6 25 25 A c 0 0 5 -19,-2.5 -5,-0.3 -2,-0.5 -22,-0.1 -0.460 360.0 360.0 -69.9 360.0 13.5 20.2 -11.8