==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONOTOXIN 08-OCT-99 1QMW . COMPND 2 MOLECULE: ALPHA-CONOTOXIN SI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.J.BENIE,D.WHITFORD,B.HARGITTAI,G.BARANY,R.W.JANES . 13 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 46.2 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 . 1 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 30.8 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 . 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 I 0 0 173 0, 0.0 2,-0.3 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 176.6 1.2 5.2 -2.0 2 2 A a - 0 0 32 10,-0.3 10,-2.5 6,-0.1 2,-1.2 -0.805 360.0-162.7-160.1 111.7 -1.2 2.3 -1.4 3 3 A b + 0 0 86 -2,-0.3 8,-0.1 8,-0.2 3,-0.1 -0.547 62.5 95.2 -95.5 66.6 -3.7 2.0 1.4 4 4 A N S > S- 0 0 92 -2,-1.2 3,-0.6 1,-0.1 4,-0.3 -0.987 72.0-134.3-154.6 151.0 -4.3 -1.7 1.0 5 5 A P G > S+ 0 0 112 0, 0.0 3,-1.6 0, 0.0 6,-0.2 0.806 107.2 63.1 -75.1 -31.5 -3.0 -5.0 2.4 6 6 A A G 3 S+ 0 0 98 1,-0.3 -3,-0.0 2,-0.1 5,-0.0 0.592 90.0 71.7 -67.9 -9.7 -2.7 -6.5 -1.0 7 7 A a G X + 0 0 13 -3,-0.6 3,-2.5 1,-0.2 -1,-0.3 0.795 69.9 161.8 -74.5 -29.7 -0.2 -3.7 -1.6 8 8 A G G X S+ 0 0 43 -3,-1.6 3,-1.5 1,-0.3 -1,-0.2 -0.263 77.5 16.4 49.7-105.7 2.2 -5.6 0.7 9 9 A P G 3 S+ 0 0 147 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.380 132.6 54.3 -75.0 5.1 5.6 -4.0 -0.2 10 10 A K G < S+ 0 0 138 -3,-2.5 2,-0.4 -6,-0.1 -2,-0.2 0.376 76.8 123.4-114.9 -3.6 3.5 -1.2 -1.8 11 11 A Y < + 0 0 132 -3,-1.5 -8,-0.2 -6,-0.2 2,-0.1 -0.483 25.0 157.8 -65.6 115.9 1.5 -0.5 1.3 12 12 A S 0 0 69 -10,-2.5 -10,-0.3 -2,-0.4 -9,-0.2 -0.585 360.0 360.0-143.0 74.7 1.9 3.2 2.1 13 13 A b 0 0 103 -11,-0.2 -1,-0.1 -12,-0.1 -2,-0.0 -0.417 360.0 360.0-148.7 360.0 -0.9 4.5 4.2