==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-JAN-13 3ZKT . COMPND 2 MOLECULE: TAU-CNVA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.PETREL,H.G.HOCKING,M.REYNAUD,P.FAVREAU,M.PAOLINI-BERTRAND, . 14 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 57.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 7.1 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 . 6 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 7.1 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 E 0 0 113 0, 0.0 2,-0.3 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0-172.8 3.2 -2.3 -1.2 2 2 A a - 0 0 63 7,-0.2 2,-0.7 10,-0.1 7,-0.2 -0.830 360.0-138.4-112.3 155.8 2.5 -4.0 -4.5 3 3 A b > - 0 0 10 5,-1.0 3,-2.1 -2,-0.3 2,-1.3 -0.889 10.6-163.9-116.1 101.4 4.7 -4.3 -7.5 4 4 A H T 3 S+ 0 0 178 -2,-0.7 3,-0.1 1,-0.3 5,-0.1 -0.123 77.8 84.7 -84.9 40.4 2.7 -3.6 -10.6 5 5 A R T 3 S+ 0 0 222 -2,-1.3 -1,-0.3 3,-0.2 2,-0.2 0.515 107.3 20.0 -97.3 -23.8 5.3 -5.1 -12.7 6 6 A Q S < S- 0 0 109 -3,-2.1 4,-0.1 2,-0.4 -4,-0.0 -0.657 87.5-108.7-131.1-178.2 3.6 -8.3 -11.9 7 7 A L S S+ 0 0 175 -2,-0.2 -3,-0.1 -3,-0.1 -1,-0.0 0.670 94.6 93.2 -89.8 -21.6 0.2 -9.3 -10.6 8 8 A L S S- 0 0 105 -5,-0.1 -5,-1.0 -6,-0.1 2,-0.6 -0.255 76.2-131.3 -67.2 151.4 1.9 -10.1 -7.3 9 9 A a + 0 0 73 -7,-0.2 2,-0.3 -5,-0.1 -7,-0.2 -0.961 37.6 159.4-108.1 118.9 2.2 -7.7 -4.5 10 10 A b - 0 0 49 -2,-0.6 2,-1.0 -4,-0.1 -4,-0.1 -0.950 53.6 -85.3-135.0 151.0 5.7 -7.4 -3.2 11 11 A L + 0 0 161 -2,-0.3 2,-0.7 -8,-0.1 -9,-0.1 -0.475 49.8 177.9 -64.0 99.3 7.2 -4.7 -1.2 12 12 A R - 0 0 115 -2,-1.0 2,-1.0 -10,-0.2 -10,-0.1 -0.948 26.6-137.5-103.9 114.5 8.4 -2.3 -3.8 13 13 A F 0 0 198 -2,-0.7 -2,-0.0 1,-0.2 -10,-0.0 -0.697 360.0 360.0 -78.6 102.9 10.0 0.7 -2.1 14 14 A V 0 0 133 -2,-1.0 -1,-0.2 0, 0.0 -3,-0.0 0.991 360.0 360.0 -64.2 360.0 8.6 3.5 -4.2