==== 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 06-JUN-96 1BAH . COMPND 2 MOLECULE: CHARYBDOTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS; . AUTHOR J.SONG,B.GILQUIN,N.JAMIN,M.GUENNEUGUES,M.DAUPLAIS,C.VITA, . 37 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 35.1 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 . 2 5.4 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 . 1 2.7 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 10.8 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 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 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 . 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 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 X 0 0 147 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 45.9 -3.2 -8.0 -6.3 2 2 A F - 0 0 121 32,-0.1 2,-0.3 34,-0.1 32,-0.1 -0.836 360.0-129.3-127.6 161.0 -0.4 -5.4 -5.9 3 3 A T - 0 0 14 30,-0.3 32,-0.1 -2,-0.3 14,-0.0 -0.737 5.7-160.7-111.4 157.1 -0.3 -1.6 -6.3 4 4 A N + 0 0 151 -2,-0.3 2,-0.1 30,-0.1 30,-0.1 -0.391 49.8 119.6-141.0 53.9 2.2 0.4 -8.4 5 5 A V - 0 0 74 28,-0.2 28,-0.6 8,-0.1 2,-0.4 -0.222 69.1 -92.6 -97.8-170.0 1.8 3.9 -6.8 6 6 A S + 0 0 93 26,-0.3 2,-0.3 -2,-0.1 26,-0.3 -0.965 46.1 172.4-114.5 131.7 4.6 6.0 -5.1 7 7 A a + 0 0 1 -2,-0.4 3,-0.1 24,-0.4 22,-0.1 -0.978 24.5 161.8-139.8 150.3 5.0 5.7 -1.3 8 8 A T S S+ 0 0 111 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.533 74.8 47.4-127.3 -49.8 7.5 7.0 1.3 9 9 A T S >> S- 0 0 84 18,-0.1 2,-1.6 1,-0.0 3,-0.9 -0.880 77.3-131.2-108.5 133.8 5.6 6.7 4.6 10 10 A S T 34 S+ 0 0 68 -2,-0.4 16,-0.1 1,-0.2 -3,-0.0 -0.566 103.0 49.0 -87.5 74.2 3.6 3.5 5.7 11 11 A K T >4 S+ 0 0 175 -2,-1.6 3,-0.8 16,-0.0 -1,-0.2 0.048 94.8 74.6-172.5 -35.3 0.4 5.3 6.7 12 12 A E T <4 S+ 0 0 108 -3,-0.9 3,-0.4 1,-0.2 -2,-0.1 0.778 97.7 43.2 -50.2 -45.9 -0.0 7.4 3.5 13 13 A X T 3X S+ 0 0 8 -4,-0.5 4,-0.7 1,-0.2 3,-0.2 -0.168 79.0 104.9-110.1 32.6 -1.1 4.7 1.1 14 14 A W T <4 S+ 0 0 102 -3,-0.8 4,-0.2 2,-0.2 -1,-0.2 0.606 78.6 55.7 -89.5 -17.8 -3.6 2.9 3.4 15 15 A S T > S+ 0 0 81 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.329 102.2 59.7 -90.2 -0.2 -6.6 4.4 1.5 16 16 A V H > S+ 0 0 42 -3,-0.2 4,-1.0 2,-0.2 5,-0.2 0.760 103.3 48.7 -95.0 -37.1 -5.1 2.8 -1.7 17 17 A b H X>S+ 0 0 0 -4,-0.7 6,-1.1 2,-0.2 4,-0.6 0.638 115.6 47.2 -68.1 -21.8 -5.3 -0.8 -0.1 18 18 A Q H 45S+ 0 0 101 -4,-0.2 -2,-0.2 4,-0.2 -1,-0.1 0.875 112.8 44.0 -87.0 -50.1 -9.0 0.1 0.8 19 19 A R H <5S+ 0 0 200 -4,-0.9 -2,-0.2 1,-0.1 -3,-0.1 0.656 121.1 40.1 -73.2 -24.7 -10.2 1.5 -2.6 20 20 A L H <5S- 0 0 112 -4,-1.0 -3,-0.2 3,-0.1 -2,-0.1 0.880 138.6 -5.2 -89.9 -54.5 -8.5 -1.2 -4.7 21 21 A H T <5S- 0 0 61 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.497 91.1 -97.0-106.1-112.2 -9.2 -4.3 -2.5 22 22 A N S