==== 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 1MVJ . COMPND 2 MOLECULE: SVIB; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS STRIATUS; . AUTHOR K.J.NIELSEN,L.THOMAS,R.J.LEWIS,P.F.ALEWOOD,D.J.CRAIK . 26 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 7.7 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 . 1 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 3.8 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 . 2 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.8 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 . 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 a 0 0 115 0, 0.0 14,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 176.9 10.8 -0.8 7.7 2 2 A K B -a 15 0A 76 12,-1.4 14,-2.3 4,-0.1 15,-0.3 -0.215 360.0-125.4 -94.8-172.5 9.8 2.5 6.0 3 3 A L > - 0 0 106 12,-0.2 3,-1.8 13,-0.1 23,-0.3 -0.778 47.0 -60.9-128.2 171.5 9.1 6.0 7.4 4 4 A K T 3 S+ 0 0 126 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 -0.362 124.2 18.8 -60.2 127.7 6.1 8.4 7.2 5 5 A G T 3 S+ 0 0 29 21,-1.4 2,-0.4 1,-0.3 -1,-0.3 0.533 88.0 139.1 88.6 11.0 5.4 9.4 3.6 6 6 A Q < - 0 0 80 -3,-1.8 20,-1.3 1,-0.1 -1,-0.3 -0.738 65.1 -97.8 -90.0 133.3 7.3 6.4 2.0 7 7 A S + 0 0 104 -2,-0.4 18,-0.3 18,-0.3 2,-0.3 -0.238 65.8 139.2 -51.5 117.9 5.6 4.7 -1.0 8 8 A b - 0 0 16 16,-0.3 13,-0.2 -2,-0.1 2,-0.2 -0.989 54.7 -84.1-160.1 159.2 3.7 1.6 0.2 9 9 A R >> - 0 0 166 -2,-0.3 3,-1.9 15,-0.1 4,-1.2 -0.475 34.4-126.9 -71.4 132.4 0.5 -0.3 -0.3 10 10 A K T 34 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 15,-0.0 0.746 111.9 44.3 -47.5 -32.3 -2.5 0.8 1.8 11 11 A T T 34 S+ 0 0 85 1,-0.1 -1,-0.3 2,-0.0 10,-0.1 -0.201 106.2 64.0-109.1 38.5 -2.9 -2.8 3.1 12 12 A S T <4 - 0 0 54 -3,-1.9 -2,-0.2 8,-0.1 -1,-0.1 0.635 66.4-166.4-125.2 -43.1 0.8 -3.4 3.8 13 13 A Y < + 0 0 130 -4,-1.2 -3,-0.1 1,-0.1 -11,-0.1 0.840 23.9 162.9 50.1 36.8 1.7 -0.8 6.6 14 14 A D + 0 0 78 -5,-0.3 -12,-1.4 4,-0.1 -1,-0.1 0.607 38.6 107.6 -59.4 -12.7 5.4 -1.7 5.7 15 15 A c B S-a 2 0A 7 -14,-0.2 -12,-0.2 1,-0.1 -11,-0.0 -0.348 82.8-118.6 -70.3 151.0 6.3 1.5 7.5 16 16 A a S S+ 0 0 76 -14,-2.3 -13,-0.1 1,-0.3 -1,-0.1 0.942 118.4 34.9 -50.7 -57.6 8.0 1.4 10.9 17 17 A S S S- 0 0 92 -15,-0.3 -1,-0.3 9,-0.0 -14,-0.1 0.651 116.8-120.5 -74.3 -18.8 5.2 3.2 12.6 18 18 A G + 0 0 33 -16,-0.1 -2,-0.1 -5,-0.1 -4,-0.1 0.684 62.3 132.9 78.2 117.3 2.6 1.5 10.3 19 19 A S + 0 0 43 -16,-0.1 6,-0.1 -4,-0.0 7,-0.1 0.387 14.6 149.5-161.2 -39.7 0.5 4.0 8.2 20 20 A b + 0 0 0 1,-0.2 6,-0.2 6,-0.1 -8,-0.1 0.340 43.9 83.5 -16.3 122.0 0.3 3.1 4.5 21 21 A G + 0 0 48 4,-2.1 -1,-0.2 -13,-0.2 5,-0.2 0.328 44.5 123.8 144.0 22.1 -2.9 4.2 2.8 22 22 A R S S- 0 0 143 3,-2.4 4,-0.1 -14,-0.2 -2,-0.1 -0.170 107.7 -69.4 -95.4 34.5 -1.9 7.8 2.0 23 23 A S S S- 0 0 123 2,-0.1 3,-0.1 1,-0.1 -14,-0.1 0.808 113.1 -25.1 77.5 39.3 -2.7 7.0 -1.6 24 24 A G S S+ 0 0 40 1,-0.4 2,-0.3 -16,-0.2 -16,-0.3 0.721 127.0 93.0 97.5 29.8 0.2 4.7 -2.0 25 25 A K 0 0 89 -18,-0.3 -3,-2.4 -6,-0.1 -4,-2.1 -0.964 360.0 360.0-146.3 157.1 2.4 6.3 0.7 26 26 A c 0 0 2 -20,-1.3 -21,-1.4 -2,-0.3 -6,-0.1 -0.416 360.0 360.0 -62.5 360.0 3.0 5.7 4.5