==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-JUN-94 1ANS . COMPND 2 MOLECULE: NEUROTOXIN III; . SOURCE 2 ORGANISM_SCIENTIFIC: ANEMONIA SULCATA; . AUTHOR N.MANOLERAS,R.S.NORTON . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 18.5 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.4 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 R 0 0 243 0, 0.0 12,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.2 -8.1 7.4 3.8 2 2 A S + 0 0 63 12,-0.1 12,-0.1 2,-0.0 11,-0.1 0.609 360.0 95.4 -61.6-130.0 -7.9 5.7 0.3 3 3 A a S S- 0 0 15 8,-0.1 13,-0.1 6,-0.1 11,-0.1 0.885 76.3-125.7 38.6 96.3 -4.9 3.4 -0.3 4 4 A b - 0 0 1 11,-0.7 13,-0.3 5,-0.2 5,-0.1 -0.036 37.2 -78.4 -58.6 171.8 -6.1 -0.0 0.6 5 5 A P - 0 0 34 0, 0.0 13,-0.3 0, 0.0 6,-0.2 -0.166 46.2-102.5 -70.6 166.9 -4.1 -2.1 3.2 6 6 A c S > S+ 0 0 18 16,-0.2 3,-1.3 1,-0.2 12,-0.1 0.992 119.2 45.5 -57.7 -69.7 -0.9 -3.8 2.2 7 7 A Y T 3 S+ 0 0 196 1,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.858 127.0 35.4 -43.6 -36.4 -2.1 -7.5 1.9 8 8 A W T > + 0 0 115 1,-0.1 3,-1.0 2,-0.0 -1,-0.3 -0.487 68.7 149.9-118.7 64.6 -5.0 -6.0 -0.0 9 9 A G T < S+ 0 0 6 -3,-1.3 -5,-0.2 -2,-0.3 -1,-0.1 0.372 73.6 58.1 -77.1 10.2 -3.5 -3.1 -2.0 10 10 A G T 3 S+ 0 0 61 6,-0.1 -1,-0.3 -5,-0.1 6,-0.1 -0.020 79.6 128.6-126.4 29.9 -6.1 -3.7 -4.7 11 11 A b < - 0 0 9 -3,-1.0 3,-0.5 4,-0.5 -7,-0.2 -0.159 67.2-109.0 -80.4 177.8 -9.3 -3.3 -2.7 12 12 A P S S+ 0 0 96 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.918 110.1 52.5 -76.6 -51.8 -12.3 -1.1 -3.4 13 13 A W S S+ 0 0 149 -11,-0.1 2,-0.3 -10,-0.1 -2,-0.1 0.060 124.1 6.3 -78.6 33.9 -12.0 1.7 -0.7 14 14 A G S S- 0 0 2 -2,-0.5 2,-0.1 -3,-0.5 -12,-0.1 -0.983 72.4-113.1 177.8-169.3 -8.4 2.4 -1.7 15 15 A Q - 0 0 120 -2,-0.3 -11,-0.7 -11,-0.1 2,-0.5 -0.264 54.9 -63.4-125.9-145.5 -5.6 1.6 -4.2 16 16 A N S S+ 0 0 93 1,-0.2 -7,-0.1 -6,-0.1 -6,-0.1 -0.488 74.1 133.6-108.4 61.9 -2.2 -0.1 -4.1 17 17 A a S S+ 0 0 10 -2,-0.5 -1,-0.2 -13,-0.3 3,-0.1 0.532 73.0 49.4 -87.6 -5.1 -0.4 2.3 -1.7 18 18 A Y + 0 0 31 -13,-0.3 3,-0.3 -3,-0.2 -1,-0.2 -0.388 63.7 131.3-131.2 59.1 0.9 -0.7 0.3 19 19 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.831 89.8 14.3 -78.3 -36.4 2.4 -3.0 -2.3 20 20 A E S S+ 0 0 189 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 -0.255 125.6 48.3-135.5 50.6 5.8 -3.4 -0.5 21 21 A G - 0 0 29 -3,-0.3 -1,-0.2 3,-0.1 -15,-0.0 -0.451 49.9-162.8 171.9 108.6 5.2 -2.1 3.1 22 22 A c S S+ 0 0 82 1,-0.2 -16,-0.2 -2,-0.1 -1,-0.0 0.624 103.6 13.6 -73.8 -12.9 2.4 -2.8 5.5 23 23 A S S S+ 0 0 115 -18,-0.1 -1,-0.2 -17,-0.0 3,-0.1 0.294 99.4 110.1-145.7 8.4 3.4 0.3 7.5 24 24 A G S S- 0 0 45 2,-0.1 -3,-0.1 1,-0.1 -6,-0.0 0.429 84.2 -48.4 -62.2-142.6 5.8 2.3 5.3 25 25 A P S S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.069 76.1 -76.2 -77.1-165.8 4.6 5.6 3.8 26 26 A K 0 0 107 -3,-0.1 -2,-0.1 -8,-0.0 0, 0.0 0.997 360.0 360.0 -60.5 -68.2 1.2 6.0 2.1 27 27 A V 0 0 113 -9,-0.1 -10,-0.2 -8,-0.1 -3,-0.0 0.201 360.0 360.0 -79.8 360.0 2.2 4.3 -1.2