==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-JUN-99 1QS3 . COMPND 2 MOLECULE: DES-GLU1-[CYS3ALA]-DES-CYS13-ALPHA CONOTOXIN GI; . SOURCE 2 SYNTHETIC: YES . AUTHOR K.H.MOK,K.-H.HAN . 11 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 18.2 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 . 2 18.2 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+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 a 0 0 139 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.9 5.6 17.2 -10.5 2 2 A A + 0 0 107 4,-0.0 4,-0.0 2,-0.0 0, 0.0 0.929 360.0 65.9 -72.2 -49.7 6.4 19.7 -13.3 3 3 A N S S- 0 0 128 1,-0.1 3,-0.1 2,-0.1 0, 0.0 -0.471 81.9-128.8 -75.8 147.7 9.7 21.3 -12.0 4 4 A P S S+ 0 0 134 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.895 98.4 56.7 -67.5 -43.7 12.9 18.9 -11.7 5 5 A A + 0 0 100 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.682 67.5 146.6 -89.5 83.5 13.9 19.7 -8.0 6 6 A a - 0 0 75 -2,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.974 53.5 -68.4 -85.1 -65.2 10.6 18.7 -6.2 7 7 A G - 0 0 72 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 -0.986 48.8 -68.1-176.1-179.4 11.5 17.2 -2.7 8 8 A R S S+ 0 0 265 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.808 75.8 111.1 -94.1 106.2 13.0 14.4 -0.5 9 9 A H + 0 0 195 -2,-0.8 2,-0.4 1,-0.3 -1,-0.1 0.439 63.8 43.6-137.0 -74.7 10.8 11.2 -0.9 10 10 A Y 0 0 219 1,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.730 360.0 360.0 -89.9 130.4 12.4 8.2 -2.8 11 11 A S 0 0 148 -2,-0.4 -3,-0.0 -3,-0.1 -1,-0.0 -0.862 360.0 360.0 -93.7 360.0 16.1 7.1 -2.2