==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 27-JAN-98 1KCP . COMPND 2 MOLECULE: KAPPA-CONOTOXIN PVIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS PURPURASCENS; . AUTHOR P.SAVARIN,M.GUENNEUGUES,B.GILQUIN,H.LAMTHANH,S.GASPARINI, . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 14.8 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 3.7 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 . 2 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 14.8 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+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 . 2 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 0 116 0, 0.0 2,-0.3 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 168.8 -4.6 8.0 3.2 2 2 A R B -a 15 0A 90 12,-3.4 14,-3.1 1,-0.1 15,-0.2 -0.667 360.0-114.8 -90.2 146.3 -1.1 6.5 2.9 3 3 A I > - 0 0 96 -2,-0.3 3,-1.2 12,-0.2 23,-0.3 -0.393 33.7 -84.9 -83.5 157.7 1.1 7.5 -0.1 4 4 A X T 3 S+ 0 0 64 1,-0.2 23,-0.2 -2,-0.1 -1,-0.1 -0.433 110.5 21.0 -63.1 131.1 2.6 5.4 -3.1 5 5 A N T 3 S+ 0 0 120 21,-2.2 -1,-0.2 1,-0.4 2,-0.2 0.131 97.8 111.0 92.6 -8.5 5.8 3.5 -2.4 6 6 A Q S < S- 0 0 89 -3,-1.2 20,-1.5 1,-0.1 -1,-0.4 -0.564 76.1 -79.7 -93.4 158.6 5.5 3.5 1.4 7 7 A K B +B 25 0B 112 18,-0.2 2,-0.3 -2,-0.2 18,-0.2 -0.254 56.1 151.7 -63.6 134.4 4.8 0.4 3.6 8 8 A b - 0 0 9 16,-2.7 2,-0.4 13,-0.1 13,-0.1 -0.972 42.9-117.8-157.1 169.4 1.4 -1.2 4.2 9 9 A F > - 0 0 144 -2,-0.3 3,-2.3 3,-0.1 13,-0.1 -0.959 30.5-130.1-113.1 126.5 -0.7 -4.4 5.0 10 10 A Q T 3 S+ 0 0 110 -2,-0.4 10,-0.2 1,-0.3 -1,-0.1 0.652 106.0 66.4 -59.3 -17.6 -3.1 -5.4 2.1 11 11 A H T 3 S+ 0 0 155 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.401 87.2 79.6 -76.9 -2.5 -6.0 -5.7 4.7 12 12 A L < - 0 0 82 -3,-2.3 -1,-0.1 1,-0.1 -3,-0.1 -0.901 63.7-169.0-115.0 100.5 -5.7 -1.8 5.2 13 13 A D + 0 0 110 -2,-0.6 2,-1.2 1,-0.2 5,-0.2 0.431 56.4 104.8 -71.2 -3.7 -7.5 -0.1 2.2 14 14 A D + 0 0 74 -13,-0.1 -12,-3.4 3,-0.1 2,-0.5 -0.175 39.0 128.6 -80.0 47.0 -6.2 3.5 2.9 15 15 A c B > -a 2 0A 8 -2,-1.2 3,-2.6 3,-0.3 -12,-0.2 -0.891 64.4-130.1 -98.2 127.4 -3.6 3.7 0.1 16 16 A a T 3 S+ 0 0 67 -14,-3.1 -13,-0.1 -2,-0.5 -1,-0.1 0.661 109.9 46.2 -52.3 -22.8 -4.3 7.0 -1.9 17 17 A S T 3 S- 0 0 53 10,-0.3 -1,-0.3 -15,-0.2 -3,-0.1 0.367 119.9-111.1 -97.0 -7.4 -4.2 5.0 -5.2 18 18 A R S < S+ 0 0 174 -3,-2.6 2,-0.4 -5,-0.2 -3,-0.3 -0.310 82.8 78.4 103.8 -42.1 -6.5 2.2 -3.8 19 19 A K - 0 0 138 8,-0.1 8,-2.8 -5,-0.1 2,-0.3 -0.880 47.4-166.7-121.0 136.9 -4.1 -0.8 -3.6 20 20 A b B -C 26 0C 15 -2,-0.4 6,-0.3 6,-0.3 2,-0.2 -0.765 29.6-151.2 -95.7 149.2 -1.3 -2.3 -1.4 21 21 A N > - 0 0 14 4,-2.8 3,-1.4 -2,-0.3 -11,-0.2 -0.584 30.8 -85.6-117.5-178.1 0.6 -5.2 -3.2 22 22 A R T 3 S+ 0 0 185 1,-0.3 -2,-0.0 -2,-0.2 -12,-0.0 0.622 119.6 63.9 -64.3 -16.7 2.6 -8.4 -2.1 23 23 A F T 3 S- 0 0 144 2,-0.2 -1,-0.3 -16,-0.0 3,-0.1 0.315 120.1-104.9 -88.5 6.4 6.0 -6.5 -1.6 24 24 A N S < S+ 0 0 90 -3,-1.4 -16,-2.7 1,-0.3 2,-0.3 0.517 83.4 123.0 80.9 15.3 4.3 -4.5 1.3 25 25 A K B -B 7 0B 74 -18,-0.2 -4,-2.8 -4,-0.1 2,-0.4 -0.802 64.5-122.7-115.0 149.1 4.0 -1.3 -0.8 26 26 A c B C 20 0C 0 -20,-1.5 -21,-2.2 -23,-0.3 -6,-0.3 -0.738 360.0 360.0 -84.4 128.8 1.1 1.0 -2.0 27 27 A V 0 0 72 -8,-2.8 -10,-0.3 -2,-0.4 -8,-0.1 -0.148 360.0 360.0 -66.2 360.0 0.9 1.2 -5.8