==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 16-JUL-01 1JLP . COMPND 2 MOLECULE: PSI-CONOTOXIN PIIIF; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.M.VAN WAGONER,C.M.IRELAND . 24 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 41.7 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 . 4 16.7 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 . 2 8.3 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 G 0 0 121 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.9 -0.9 12.6 -3.8 2 2 A X - 0 0 107 1,-0.1 2,-0.3 2,-0.0 11,-0.0 -0.573 360.0 -89.6 -74.6 146.8 1.1 11.6 -0.7 3 3 A X - 0 0 91 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.348 22.2-161.4 -65.2 127.4 3.7 8.6 -1.1 4 4 A a S S+ 0 0 15 -2,-0.3 7,-2.1 1,-0.3 2,-0.4 0.749 90.9 29.6 -61.6 -39.0 2.6 5.0 -0.5 5 5 A b - 0 0 28 5,-0.2 2,-0.6 7,-0.1 -1,-0.3 -0.973 68.8-174.6-131.1 119.1 6.3 4.0 -0.0 6 6 A L S > S- 0 0 74 -2,-0.4 3,-0.7 1,-0.2 4,-0.1 -0.971 83.2 -6.9-109.6 112.3 8.7 6.6 1.3 7 7 A Y T 3 S- 0 0 225 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.932 131.7 -53.8 65.2 51.8 12.2 5.1 1.2 8 8 A G T 3 S+ 0 0 76 -3,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.275 109.3 126.0 73.8 -14.0 11.1 1.5 0.1 9 9 A S S < S- 0 0 34 -3,-0.7 2,-0.6 1,-0.1 -1,-0.2 0.085 72.3-104.6 -78.7 177.5 8.7 1.2 3.1 10 10 A c + 0 0 89 -5,-0.1 2,-0.5 -3,-0.1 -5,-0.2 -0.950 43.2 173.7 -97.3 115.4 5.0 0.5 3.8 11 11 A R - 0 0 109 -7,-2.1 2,-0.2 -2,-0.6 11,-0.1 -0.957 32.8-123.0-130.7 99.4 3.6 4.0 4.5 12 12 A X + 0 0 141 -2,-0.5 2,-0.3 4,-0.1 -7,-0.1 -0.320 50.0 134.4 -78.0 123.8 -0.3 3.7 4.9 13 13 A F >> - 0 0 70 -2,-0.2 3,-1.8 -9,-0.1 4,-0.6 -0.964 61.7 -76.7-149.1 163.0 -2.5 5.8 2.6 14 14 A X T 34 S+ 0 0 141 -2,-0.3 -10,-0.0 1,-0.3 0, 0.0 -0.541 122.2 13.2 -75.0 120.9 -5.7 5.7 0.4 15 15 A G T 3> S+ 0 0 43 -2,-0.3 4,-0.5 4,-0.0 -1,-0.3 0.512 98.8 104.5 79.9 15.3 -4.6 3.9 -2.8 16 16 A a T <4 S+ 0 0 4 -3,-1.8 3,-0.3 2,-0.2 6,-0.3 0.900 78.9 51.9 -83.7 -51.1 -1.2 2.7 -1.4 17 17 A Y T < S+ 0 0 141 -4,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.730 113.4 48.3 -49.0 -28.1 -2.3 -0.9 -0.9 18 18 A N T 4 S+ 0 0 128 5,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.732 99.1 92.1 -76.8 -28.1 -3.4 -0.5 -4.7 19 19 A A S < S- 0 0 33 -4,-0.5 5,-0.1 -3,-0.3 -3,-0.1 -0.275 86.5-110.0 -79.2 159.8 0.1 1.0 -5.6 20 20 A L S > S+ 0 0 136 1,-0.2 3,-0.6 2,-0.1 -1,-0.1 0.812 103.6 43.8 -72.5 -44.9 3.1 -1.0 -6.8 21 21 A b T 3 S+ 0 0 86 1,-0.2 2,-0.7 -16,-0.1 -1,-0.2 0.942 125.4 30.5 -64.3 -54.9 5.8 -1.1 -4.0 22 22 A c T 3 S+ 0 0 12 -6,-0.3 2,-1.7 -11,-0.1 -1,-0.2 -0.616 78.2 165.4-103.1 68.9 3.5 -1.8 -0.9 23 23 A R < 0 0 167 -2,-0.7 -6,-0.2 -3,-0.6 -5,-0.1 -0.494 360.0 360.0 -88.6 68.7 0.9 -3.7 -2.9 24 24 A K 0 0 204 -2,-1.7 -1,-0.0 -5,-0.1 -2,-0.0 0.285 360.0 360.0-108.3 360.0 -0.9 -5.2 0.1