==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 29-JAN-96 1PEN . COMPND 2 MOLECULE: ALPHA-CONOTOXIN PNIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS PENNACEUS; . AUTHOR S.-H.HU,J.GEHRMANN,L.W.GUDDAT,P.F.ALEWOOD,D.J.CRAIK, . 16 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 75.0 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 37.5 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 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 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 92 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 166.7 -4.2 -10.3 3.3 2 2 A a G >4 + 0 0 32 1,-0.3 3,-1.5 2,-0.2 7,-0.8 0.826 360.0 54.3 -46.2 -53.3 -2.5 -11.9 0.3 3 3 A b G 34 S+ 0 0 66 1,-0.3 -1,-0.3 5,-0.2 9,-0.0 0.633 109.4 46.8 -67.2 -14.2 -5.5 -12.8 -1.8 4 4 A S G <4 S+ 0 0 101 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.482 98.1 82.5-101.5 -4.6 -6.9 -9.2 -1.9 5 5 A L S XX S- 0 0 100 -3,-1.5 4,-2.6 -4,-0.6 3,-0.8 -0.882 75.9-142.9-104.4 112.1 -3.5 -7.7 -2.7 6 6 A P H 3> S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.833 96.5 46.5 -39.6 -56.3 -2.6 -7.9 -6.4 7 7 A P H 3> S+ 0 0 84 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.871 117.5 44.7 -59.8 -37.7 1.2 -8.7 -6.2 8 8 A a H <> S+ 0 0 35 -3,-0.8 4,-1.0 -6,-0.2 3,-0.3 0.938 111.4 50.3 -72.6 -46.1 0.6 -11.3 -3.6 9 9 A A H >< S+ 0 0 28 -4,-2.6 3,-0.8 -7,-0.8 7,-0.2 0.922 111.4 49.7 -58.0 -45.0 -2.4 -13.1 -5.2 10 10 A A H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.793 112.1 47.8 -65.5 -30.8 -0.5 -13.3 -8.5 11 11 A N H 3< S+ 0 0 126 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.570 117.2 42.9 -87.5 -7.7 2.6 -14.8 -6.8 12 12 A N XX + 0 0 61 -4,-1.0 4,-2.6 -3,-0.8 3,-0.7 -0.360 59.3 146.9-135.0 57.8 0.5 -17.3 -4.9 13 13 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.784 73.6 63.3 -63.7 -26.5 -2.1 -18.8 -7.3 14 14 A D T 34 S+ 0 0 144 2,-0.2 -2,-0.1 1,-0.1 -3,-0.0 0.868 114.0 31.1 -65.1 -37.1 -1.8 -22.1 -5.4 15 15 A Y T <4 0 0 190 -3,-0.7 -1,-0.1 -6,-0.1 -6,-0.1 0.900 360.0 360.0 -87.1 -46.4 -3.1 -20.6 -2.2 16 16 A b < 0 0 68 -4,-2.6 -2,-0.2 -7,-0.2 -1,-0.1 0.709 360.0 360.0 -80.2 360.0 -5.4 -17.9 -3.5