==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 18-JUL-12 4B2V . COMPND 2 MOLECULE: S64; . SOURCE 2 ORGANISM_SCIENTIFIC: SICARIUS DOLICHOCEPHALUS; . AUTHOR N.M.LOENING,Z.N.WILSON,P.A.ZOBEL-THROPP,G.J.BINFORD . 32 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 46.9 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 . 6 18.8 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 3.1 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-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 . 4 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.1 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 166 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.8 -4.4 -12.0 -3.8 2 2 A E - 0 0 165 17,-0.0 2,-0.1 1,-0.0 19,-0.0 -0.803 360.0-126.0 -97.9 136.5 -6.5 -10.2 -1.3 3 3 A a - 0 0 64 -2,-0.4 2,-0.2 1,-0.1 17,-0.1 -0.464 21.2-115.0 -83.5 151.2 -6.6 -6.4 -1.4 4 4 A V - 0 0 26 -2,-0.1 17,-1.9 1,-0.1 2,-0.1 -0.536 28.2-118.4 -82.2 146.8 -5.8 -4.2 1.6 5 5 A E > - 0 0 169 -2,-0.2 3,-1.9 1,-0.2 24,-0.3 -0.381 49.6 -68.4 -77.8 165.9 -8.5 -2.0 3.2 6 6 A N T 3 S+ 0 0 103 1,-0.3 24,-0.2 -2,-0.1 -1,-0.2 -0.248 122.4 22.8 -59.5 136.0 -8.1 1.8 3.3 7 7 A G T 3 S+ 0 0 55 22,-2.9 -1,-0.3 1,-0.3 23,-0.1 0.339 94.1 135.1 90.1 -6.5 -5.4 3.0 5.6 8 8 A G < - 0 0 20 -3,-1.9 21,-1.7 21,-0.3 2,-0.5 -0.234 58.2-108.5 -72.2 163.4 -3.6 -0.3 5.4 9 9 A F B -A 28 0A 141 19,-0.2 19,-0.2 -3,-0.1 18,-0.1 -0.816 29.6-175.3 -98.0 129.6 0.1 -0.6 5.0 10 10 A b - 0 0 0 17,-1.6 7,-0.1 -2,-0.5 8,-0.0 -0.991 24.0-127.5-123.1 122.6 1.6 -1.9 1.7 11 11 A P - 0 0 31 0, 0.0 8,-0.2 0, 0.0 16,-0.1 -0.059 57.9 -45.5 -62.0 169.0 5.4 -2.4 1.5 12 12 A D >>> - 0 0 93 1,-0.2 4,-3.3 4,-0.1 5,-1.1 -0.075 49.9-149.7 -43.1 111.2 7.6 -1.0 -1.3 13 13 A P T 345S+ 0 0 43 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.766 96.1 58.4 -55.6 -27.9 5.7 -1.5 -4.6 14 14 A E T 345S+ 0 0 176 3,-0.2 -2,-0.1 2,-0.1 4,-0.1 0.870 120.4 24.1 -71.2 -36.8 9.1 -1.7 -6.3 15 15 A K T <45S+ 0 0 169 -3,-0.9 -1,-0.1 2,-0.1 -3,-0.1 0.874 140.9 19.3 -98.2 -46.2 10.3 -4.6 -4.2 16 16 A M T <5S- 0 0 130 -4,-3.3 -2,-0.1 1,-0.2 -4,-0.1 0.634 108.2-115.7-101.1 -16.7 7.2 -6.4 -2.9 17 17 A G < - 0 0 27 -5,-1.1 2,-0.4 -7,-0.1 -3,-0.2 -0.046 33.6 -72.9 94.2 154.9 4.7 -5.1 -5.4 18 18 A D + 0 0 119 -5,-0.3 2,-0.4 -4,-0.1 -6,-0.1 -0.739 49.7 171.5 -88.7 130.3 1.7 -2.9 -4.9 19 19 A W + 0 0 120 -2,-0.4 2,-0.3 -8,-0.2 4,-0.1 -0.919 21.3 117.6-143.2 113.6 -1.4 -4.4 -3.3 20 20 A c - 0 0 23 -2,-0.4 2,-1.1 2,-0.1 4,-0.2 -0.967 66.8-105.9-161.2 154.8 -4.3 -2.4 -2.2 21 21 A a S S- 0 0 59 -17,-1.9 2,-0.5 -2,-0.3 -2,-0.0 -0.842 111.4 -2.6 -87.7 103.1 -8.0 -2.0 -3.0 22 22 A G S S- 0 0 47 -2,-1.1 2,-0.3 9,-0.1 9,-0.2 -0.920 129.7 -21.9 119.0-105.1 -7.6 1.2 -4.9 23 23 A R E -B 30 0A 186 7,-2.4 7,-3.0 -2,-0.5 2,-0.8 -0.998 48.6-131.1-144.3 144.7 -4.1 2.4 -5.0 24 24 A b E +B 29 0A 22 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.863 38.2 168.9 -96.7 110.1 -0.9 1.9 -2.9 25 25 A I E > -B 28 0A 65 3,-3.1 3,-1.0 -2,-0.8 -15,-0.1 -0.986 64.7 -8.6-130.1 122.6 0.4 5.4 -2.2 26 26 A R T 3 S- 0 0 208 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.881 129.0 -57.2 59.3 40.1 3.2 6.2 0.3 27 27 A N T 3 S+ 0 0 47 1,-0.2 -17,-1.6 -16,-0.1 2,-0.3 0.712 120.0 113.2 62.6 22.8 3.0 2.6 1.6 28 28 A E E < -AB 9 25A 75 -3,-1.0 -3,-3.1 -19,-0.2 2,-0.6 -0.910 68.7-125.0-124.0 152.3 -0.7 3.2 2.3 29 29 A c E + B 0 24A 0 -21,-1.7 -22,-2.9 -2,-0.3 2,-0.4 -0.864 34.5 177.1-101.3 119.7 -3.8 1.8 0.7 30 30 A R E - B 0 23A 92 -7,-3.0 -7,-2.4 -2,-0.6 2,-0.4 -0.972 10.2-178.8-128.4 137.1 -6.2 4.5 -0.6 31 31 A N 0 0 109 -2,-0.4 -9,-0.1 -9,-0.2 -10,-0.0 -0.989 360.0 360.0-134.0 144.2 -9.5 4.2 -2.4 32 32 A G 0 0 139 -2,-0.4 -1,-0.1 0, 0.0 -10,-0.1 0.175 360.0 360.0 168.8 360.0 -11.7 6.9 -3.7