==== 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 06-DEC-96 1P1P . COMPND 2 MOLECULE: AA-CONOTOXIN PIVA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS PURPURASCENS; . AUTHOR K.-H.HAN,K.-J.HWANG,S.-M.KIM,S.-K.KIM,W.R.GRAY,B.M.OLIVERA, . 25 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 32.0 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 . 2 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 4.0 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 G 0 0 92 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-113.1 -0.3 7.1 1.1 2 2 A a + 0 0 42 4,-0.1 9,-0.0 18,-0.1 17,-0.0 0.331 360.0 34.7-146.8 -57.4 -1.6 4.5 -1.4 3 3 A b S > S+ 0 0 7 2,-0.1 3,-1.5 5,-0.0 2,-0.3 0.628 100.7 107.1 -70.3 -9.7 -4.1 2.2 0.5 4 4 A G T 3 S+ 0 0 42 1,-0.3 8,-0.0 4,-0.0 4,-0.0 -0.546 90.5 9.2 -65.9 129.8 -4.8 5.5 2.3 5 5 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.3 -2,-0.3 -2,-0.1 0.810 119.9 90.4 61.6 37.0 -8.2 6.8 1.0 6 6 A Y S < S- 0 0 169 -3,-1.5 -1,-0.3 1,-0.1 -4,-0.1 -0.945 88.7 -77.1-144.8 162.6 -8.9 3.5 -0.7 7 7 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.071 33.7-159.1 -52.3 165.2 -10.5 0.1 0.2 8 8 A N + 0 0 101 2,-0.1 -5,-0.0 1,-0.0 -4,-0.0 0.182 54.4 112.7-142.4 11.5 -8.4 -2.3 2.4 9 9 A A S S- 0 0 112 1,-0.1 3,-0.0 3,-0.0 -1,-0.0 0.907 112.2 -12.1 -58.7 -46.5 -9.8 -5.8 1.9 10 10 A A S S+ 0 0 88 2,-0.0 5,-0.2 5,-0.0 -1,-0.1 0.671 118.6 100.1-115.1 -61.0 -6.7 -7.0 0.1 11 11 A b + 0 0 37 4,-0.1 -5,-0.0 3,-0.1 -9,-0.0 0.144 40.8 161.2 -20.3 132.2 -5.0 -3.7 -0.5 12 12 A H > - 0 0 109 -8,-0.0 2,-2.3 -3,-0.0 4,-0.9 -0.888 59.9 -91.1-153.7 162.6 -2.2 -2.6 1.8 13 13 A P T 4 S+ 0 0 26 0, 0.0 10,-0.5 0, 0.0 9,-0.1 -0.265 128.0 44.9 -67.4 45.5 0.6 0.1 1.3 14 14 A c T 4 S+ 0 0 47 -2,-2.3 5,-0.2 5,-0.1 -3,-0.1 0.307 96.8 62.6-164.5 -53.4 2.6 -2.8 -0.1 15 15 A S T 4 S+ 0 0 91 -5,-0.2 -4,-0.1 -3,-0.1 4,-0.0 0.666 85.7 108.6 -59.4 -20.3 0.4 -4.8 -2.4 16 16 A a S >< S- 0 0 26 -4,-0.9 3,-0.6 1,-0.1 -13,-0.0 -0.205 83.9-118.3 -56.3 154.7 0.4 -1.5 -4.4 17 17 A K T 3 S+ 0 0 198 1,-0.3 2,-0.6 2,-0.0 -1,-0.1 0.960 111.4 15.5 -65.8 -56.6 2.3 -1.6 -7.7 18 18 A D T 3 S- 0 0 141 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.905 105.0-166.2-115.0 83.9 4.8 1.2 -6.6 19 19 A R < - 0 0 111 -2,-0.6 2,-0.2 -3,-0.6 -5,-0.1 -0.305 34.0 -80.6 -78.4 160.8 4.0 1.0 -2.9 20 20 A X > - 0 0 26 1,-0.2 3,-1.7 -2,-0.1 -1,-0.1 -0.473 51.6-133.2 -49.2 113.9 4.7 3.1 0.1 21 21 A S G > S+ 0 0 76 1,-0.3 3,-1.6 -2,-0.2 -1,-0.2 0.388 88.4 94.5 -79.8 9.3 8.2 1.8 0.6 22 22 A Y G 3 S+ 0 0 161 1,-0.3 -1,-0.3 3,-0.2 -8,-0.1 0.811 73.6 71.1 -56.8 -30.5 7.8 1.2 4.4 23 23 A c G < S+ 0 0 65 -3,-1.7 -1,-0.3 -10,-0.5 -2,-0.2 0.504 125.0 6.4 -74.6 9.0 6.9 -2.4 3.4 24 24 A G < 0 0 60 -3,-1.6 -2,-0.1 -4,-0.1 -3,-0.0 -0.016 360.0 360.0-132.9-106.0 10.6 -2.6 2.5 25 25 A Q 0 0 220 -2,-0.1 -3,-0.2 0, 0.0 -4,-0.1 -0.267 360.0 360.0-168.6 360.0 12.6 0.5 3.5