==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 27-NOV-98 1IMI . COMPND 2 MOLECULE: PROTEIN (ALPHA-CONOTOXIN IMI); . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS; . AUTHOR I.V.MASLENNIKOV,Z.O.SHENKAREV,M.N.ZHMAK,V.I.TSETLIN, . 12 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 58.3 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 . 4 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 25.0 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 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 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 94 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 162.7 1.5 0.0 0.0 2 2 A a T >4 + 0 0 86 1,-0.2 3,-0.9 2,-0.2 7,-0.5 0.846 360.0 55.3 -80.3 -37.4 3.9 2.8 -0.5 3 3 A b T 34 S+ 0 0 74 1,-0.2 -1,-0.2 5,-0.2 9,-0.1 0.536 98.0 69.6 -71.5 -5.5 5.2 1.3 -3.8 4 4 A S T 34 S+ 0 0 100 -3,-0.1 -1,-0.2 3,-0.0 -2,-0.2 0.838 89.5 68.8 -79.4 -36.1 1.5 1.4 -4.7 5 5 A D S XX S- 0 0 94 -3,-0.9 4,-3.8 -4,-0.5 3,-0.8 -0.604 76.2-141.2 -86.3 146.0 1.5 5.2 -5.0 6 6 A P H 3> S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.758 101.9 65.2 -74.9 -26.5 3.4 7.0 -7.7 7 7 A R H 34 S+ 0 0 224 1,-0.2 -4,-0.1 2,-0.2 -5,-0.0 0.542 120.3 23.5 -72.0 -6.6 4.5 9.7 -5.3 8 8 A a H X4 S+ 0 0 36 -3,-0.8 3,-3.1 -6,-0.3 -5,-0.2 0.627 113.0 64.6-123.0 -44.5 6.4 7.0 -3.5 9 9 A A H >< S+ 0 0 35 -4,-3.8 3,-2.3 -7,-0.5 -2,-0.2 0.744 82.8 84.2 -54.3 -23.0 7.0 4.4 -6.2 10 10 A W T 3< S+ 0 0 216 -4,-1.2 -1,-0.3 1,-0.3 -3,-0.1 0.809 104.4 29.6 -49.6 -30.3 9.0 7.1 -7.8 11 11 A R T < 0 0 241 -3,-3.1 -1,-0.3 -5,-0.0 -2,-0.2 -0.377 360.0 360.0-127.6 52.3 11.7 5.7 -5.5 12 12 A b < 0 0 106 -3,-2.3 -3,-0.0 -9,-0.1 -4,-0.0 -0.967 360.0 360.0-119.0 360.0 10.7 2.1 -5.3