==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 16-JUL-01 1JLO . COMPND 2 MOLECULE: PSI-CONOTOXIN PIIIE; . 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) . 2296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 50.0 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 . 3 12.5 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 . 1 4.2 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 . 5 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 4.2 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 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 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 H 0 0 145 0, 0.0 3,-0.1 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 152.7 -3.8 8.6 -2.8 2 2 A X - 0 0 88 1,-0.2 2,-0.4 2,-0.1 11,-0.0 0.145 360.0 -47.8 -52.6-169.3 -6.6 5.8 -2.8 3 3 A X - 0 0 105 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 -0.606 54.2-156.0 -61.4 122.8 -6.5 3.1 -0.1 4 4 A a S S+ 0 0 12 -2,-0.4 7,-1.6 1,-0.2 2,-1.0 0.847 87.0 53.3 -76.3 -32.8 -2.8 1.9 -0.1 5 5 A b E S+A 10 0A 51 5,-0.2 2,-0.5 3,-0.0 3,-0.3 -0.865 76.7 169.5 -98.4 95.6 -3.6 -1.6 1.4 6 6 A L E > S+A 9 0A 50 3,-1.5 3,-1.6 -2,-1.0 -4,-0.0 -0.944 75.0 4.9-108.0 132.1 -6.3 -2.6 -1.1 7 7 A Y T 3 S- 0 0 189 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.694 133.7 -68.4 65.0 23.6 -7.3 -6.2 -0.7 8 8 A G T 3 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.138 110.1 116.0 80.8 -17.8 -4.9 -6.1 2.3 9 9 A K E < S-A 6 0A 155 -3,-1.6 -3,-1.5 1,-0.1 2,-0.9 -0.578 71.2-101.2-121.3 158.2 -1.9 -5.7 0.1 10 10 A c E +A 5 0A 67 11,-0.4 2,-0.3 -2,-0.2 -5,-0.2 -0.526 37.2 179.3 -88.9 96.8 0.8 -3.3 -0.7 11 11 A R - 0 0 71 -7,-1.6 2,-1.4 -2,-0.9 11,-0.1 -0.691 34.6-114.0 -99.4 149.3 0.4 -1.2 -3.9 12 12 A R + 0 0 236 -2,-0.3 2,-0.1 3,-0.1 -2,-0.0 -0.403 52.8 148.9 -93.2 60.9 2.8 1.4 -5.2 13 13 A Y > - 0 0 72 -2,-1.4 3,-1.7 -9,-0.1 2,-0.7 -0.475 65.7 -69.0 -85.4 163.4 0.9 4.8 -4.9 14 14 A X T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.370 119.7 3.0 -78.2 104.9 3.0 8.0 -4.2 15 15 A G T > S+ 0 0 51 -2,-0.7 3,-0.5 4,-0.0 -1,-0.3 0.614 88.1 120.9 98.3 20.0 4.4 7.8 -0.6 16 16 A a G X + 0 0 4 -3,-1.7 3,-1.8 1,-0.2 6,-0.2 0.298 41.9 99.5 -99.7 10.6 3.1 4.3 0.5 17 17 A S G 3 S+ 0 0 110 1,-0.2 -1,-0.2 -4,-0.2 -3,-0.1 0.664 89.2 52.7 -49.0 -20.2 6.6 3.0 1.2 18 18 A S G < S+ 0 0 100 -3,-0.5 -1,-0.2 4,-0.0 2,-0.2 0.036 82.1 112.7-113.2 30.3 5.2 4.0 4.7 19 19 A A S < S- 0 0 17 -3,-1.8 4,-0.3 1,-0.1 -9,-0.0 -0.544 71.3-129.9 -71.6 157.0 2.0 2.0 4.5 20 20 A S S >> S+ 0 0 99 2,-0.2 4,-0.9 -2,-0.2 3,-0.7 0.831 105.5 58.7 -88.3 -36.8 2.0 -0.8 7.0 21 21 A b T 34 S+ 0 0 35 1,-0.2 -11,-0.4 2,-0.2 -1,-0.2 0.715 103.4 61.0 -52.8 -23.9 1.1 -3.8 4.6 22 22 A c T 34 S+ 0 0 35 -6,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.715 92.8 62.7 -72.9 -28.0 4.3 -2.5 2.9 23 23 A Q T <4 0 0 134 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.1 0.906 360.0 360.0 -65.4 -47.3 6.4 -3.3 6.0 24 24 A R < 0 0 273 -4,-0.9 -1,-0.1 0, 0.0 -3,-0.1 0.087 360.0 360.0 67.4 360.0 5.6 -7.2 5.8