==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 13-AUG-97 1AS5 . COMPND 2 MOLECULE: CONOTOXIN Y-PIIIE; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS PURPURASCENS; . AUTHOR S.S.MITCHELL,K.SHON,M.P.FOSTER,B.M.OLIVERA,C.M.IRELAND . 24 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 29.2 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 . 3 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 12.5 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 . 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 H 0 0 193 0, 0.0 3,-0.1 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0-168.3 8.3 3.5 4.3 2 2 A X - 0 0 61 1,-0.2 2,-0.1 4,-0.1 0, 0.0 0.166 360.0 -63.7 -61.7-162.2 8.3 2.8 0.3 3 3 A X - 0 0 103 1,-0.0 3,-0.3 13,-0.0 -1,-0.2 -0.336 57.8-103.6 -46.8 163.4 5.6 3.9 -2.2 4 4 A a S S+ 0 0 18 1,-0.2 7,-0.7 11,-0.1 12,-0.1 0.761 112.4 40.7 -61.7 -34.5 2.0 2.4 -1.6 5 5 A b S S+ 0 0 81 5,-0.1 3,-0.3 3,-0.0 -1,-0.2 0.409 84.8 112.4-105.0 -1.0 2.1 -0.3 -4.5 6 6 A L S > S+ 0 0 89 -3,-0.3 3,-0.7 1,-0.2 -4,-0.1 -0.422 76.3 9.5 -91.5 150.3 5.7 -1.8 -4.6 7 7 A Y T 3 S- 0 0 210 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.174 103.0-100.8 67.6 -9.4 6.9 -5.4 -3.8 8 8 A G T 3 S+ 0 0 74 -3,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.569 85.0 127.1 70.2 18.4 3.2 -6.6 -3.6 9 9 A K < - 0 0 170 -3,-0.7 2,-0.3 2,-0.0 -1,-0.2 -0.934 69.3-108.1-103.0 124.8 3.0 -6.7 0.3 10 10 A c + 0 0 73 -2,-0.5 2,-0.4 -3,-0.1 -5,-0.1 -0.337 42.9 172.4 -70.9 117.5 -0.2 -4.6 1.3 11 11 A R - 0 0 55 -7,-0.7 2,-0.5 -2,-0.3 -3,-0.0 -0.994 19.1-179.1-116.5 127.1 0.4 -1.1 2.9 12 12 A R + 0 0 194 -2,-0.4 2,-0.2 10,-0.0 8,-0.1 -0.905 50.8 135.6-108.2 86.6 -2.5 1.3 3.4 13 13 A Y > - 0 0 41 -2,-0.5 3,-1.6 1,-0.1 2,-0.4 -0.732 48.8 -10.7-128.3 168.4 -0.1 3.9 4.9 14 14 A X T 3 S- 0 0 138 1,-0.2 -1,-0.1 -2,-0.2 -10,-0.0 0.286 126.7 -24.5 13.6 52.1 1.3 7.7 5.1 15 15 A G T 3 S+ 0 0 78 -2,-0.4 -1,-0.2 -11,-0.0 -11,-0.1 0.886 105.5 105.9 74.1 52.2 -0.8 9.2 2.2 16 16 A a X + 0 0 14 -3,-1.6 3,-2.9 -13,-0.1 2,-0.8 0.631 38.4 131.0 -84.4 -30.4 -1.6 6.4 -0.2 17 17 A S T 3 + 0 0 118 1,-0.3 -3,-0.0 -4,-0.3 -1,-0.0 0.060 65.8 48.0 -79.2 3.7 -5.1 6.2 0.7 18 18 A S T 3 S+ 0 0 119 -2,-0.8 2,-1.6 1,-0.1 -1,-0.3 0.829 94.9 89.2 -63.1 -42.8 -6.9 6.3 -2.6 19 19 A A < + 0 0 40 -3,-2.9 -1,-0.1 1,-0.2 -2,-0.1 -0.473 51.5 177.4 -78.6 86.8 -4.4 3.6 -3.9 20 20 A S + 0 0 71 -2,-1.6 -1,-0.2 1,-0.1 3,-0.1 0.906 14.6 159.8 -32.3 -61.4 -6.1 0.2 -2.9 21 21 A b + 0 0 45 1,-0.2 -10,-0.1 -11,-0.1 -1,-0.1 0.561 57.2 76.3 19.9 40.4 -3.2 -1.8 -4.6 22 22 A c S S+ 0 0 47 -12,-0.1 -1,-0.2 -13,-0.0 -2,-0.0 0.616 82.0 70.3-123.5 -77.9 -4.1 -5.0 -2.5 23 23 A Q 0 0 169 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 0.279 360.0 360.0 5.4 142.3 -7.2 -6.0 -4.6 24 24 A R 0 0 305 -3,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.965 360.0 360.0-134.3 360.0 -6.7 -7.5 -8.2