==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 16-SEP-99 1D1H . COMPND 2 MOLECULE: HANATOXIN TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: GRAMMOSTOLA ROSEA; . AUTHOR H.TAKAHASHI,J.I.KIM,K.SATO,K.J.SWARTZ,I.SHIMADA . 35 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.9 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 . 1 2.9 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 . 7 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.9 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 . 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL 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 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 0 174 0, 0.0 2,-0.8 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 124.7 -9.3 1.1 -5.9 2 2 A a - 0 0 85 13,-0.2 2,-1.3 1,-0.1 13,-0.2 -0.291 360.0-154.7 -54.1 97.5 -7.1 3.2 -3.7 3 3 A R B -a 15 0A 88 11,-0.9 13,-0.6 -2,-0.8 4,-0.5 -0.658 13.4-153.6 -81.3 95.4 -6.5 0.7 -0.9 4 4 A Y > - 0 0 158 -2,-1.3 3,-1.7 1,-0.2 24,-0.4 0.293 52.1 -34.5 -52.1-168.5 -5.7 2.9 2.0 5 5 A L T 3 S+ 0 0 87 1,-0.3 -1,-0.2 22,-0.1 24,-0.2 -0.389 140.7 12.1 -59.3 116.0 -3.6 1.7 4.9 6 6 A F T 3 S+ 0 0 160 22,-2.0 2,-0.5 -2,-0.3 -1,-0.3 0.758 93.6 146.8 86.4 28.5 -4.5 -2.0 5.4 7 7 A G < - 0 0 13 -3,-1.7 -1,-0.3 -4,-0.5 -4,-0.2 -0.865 56.9-109.2-103.2 126.5 -6.4 -2.3 2.1 8 8 A G - 0 0 51 -2,-0.5 2,-0.4 19,-0.2 19,-0.2 -0.287 44.6-176.5 -52.8 117.0 -6.3 -5.5 0.1 9 9 A b - 0 0 2 17,-2.7 6,-0.1 -2,-0.1 3,-0.1 -0.971 31.6-158.8-124.5 135.8 -4.1 -4.8 -3.0 10 10 A K S S- 0 0 182 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.696 84.5 -10.5 -79.9 -19.7 -3.4 -7.1 -5.9 11 11 A T S > S- 0 0 61 15,-0.1 3,-1.1 1,-0.0 11,-0.1 -0.912 82.0 -85.0-160.1-176.0 -0.3 -5.0 -6.6 12 12 A T G > S+ 0 0 88 -2,-0.3 3,-1.0 1,-0.3 9,-0.2 0.798 124.8 58.4 -72.0 -29.1 1.4 -1.8 -5.8 13 13 A S G 3 S+ 0 0 100 1,-0.2 -1,-0.3 7,-0.1 7,-0.0 0.236 93.7 70.6 -84.1 13.6 -0.7 -0.0 -8.4 14 14 A D G < S+ 0 0 46 -3,-1.1 -11,-0.9 -11,-0.1 2,-0.2 0.299 88.0 76.4-110.7 5.6 -3.8 -1.1 -6.4 15 15 A c B < S-a 3 0A 14 -3,-1.0 -13,-0.2 1,-0.3 -11,-0.2 -0.713 84.2 -96.3-115.9 167.5 -3.3 1.1 -3.4 16 16 A a - 0 0 21 -13,-0.6 -1,-0.3 -2,-0.2 -13,-0.1 0.588 53.9 -81.5 -54.4-146.3 -3.8 4.8 -2.7 17 17 A K S S+ 0 0 182 -15,-0.1 -2,-0.1 1,-0.1 -14,-0.0 0.915 122.0 36.1 -92.1 -71.4 -1.0 7.3 -2.9 18 18 A H S S+ 0 0 110 12,-0.1 13,-2.6 2,-0.0 2,-0.2 0.602 109.9 85.5 -61.3 -11.6 1.2 7.3 0.2 19 19 A L E -B 30 0B 7 11,-0.3 2,-0.4 -7,-0.0 11,-0.3 -0.603 58.7-166.6 -95.1 156.5 0.6 3.5 0.3 20 20 A G E -B 29 0B 7 9,-2.3 9,-2.0 -2,-0.2 2,-0.5 -0.989 22.4-123.9-144.1 129.8 2.5 0.8 -1.5 21 21 A b E -B 28 0B 11 -2,-0.4 2,-0.6 7,-0.2 -9,-0.2 -0.607 24.2-157.8 -77.0 123.2 1.6 -2.8 -2.0 22 22 A K >> - 0 0 60 5,-0.9 2,-2.3 -2,-0.5 4,-1.3 -0.900 23.9-121.7-106.5 117.1 4.3 -5.2 -0.7 23 23 A F T 34 S+ 0 0 191 -2,-0.6 -13,-0.0 1,-0.2 -2,-0.0 -0.272 101.0 44.5 -55.8 79.6 4.4 -8.7 -2.2 24 24 A R T 34 S+ 0 0 168 -2,-2.3 -1,-0.2 3,-0.1 -3,-0.0 -0.116 108.7 40.6-178.2 -69.7 3.9 -10.4 1.2 25 25 A D T <4 S- 0 0 84 -3,-0.6 -2,-0.1 2,-0.1 3,-0.1 0.816 87.0-142.2 -70.6 -30.8 1.3 -8.9 3.5 26 26 A K < + 0 0 143 -4,-1.3 -17,-2.7 1,-0.3 -1,-0.1 0.141 69.3 93.6 88.3 -19.3 -1.1 -8.4 0.6 27 27 A Y S S- 0 0 75 -19,-0.2 -5,-0.9 -5,-0.1 2,-0.5 -0.102 85.0 -90.8 -90.9-167.2 -2.3 -5.1 2.1 28 28 A c E -B 21 0B 0 -24,-0.4 -22,-2.0 -7,-0.2 2,-0.4 -0.945 39.9-177.0-115.2 120.8 -1.1 -1.6 1.5 29 29 A A E -B 20 0B 24 -9,-2.0 -9,-2.3 -2,-0.5 -14,-0.0 -0.903 38.5 -85.8-117.8 144.9 1.6 -0.1 3.7 30 30 A W E +B 19 0B 113 -2,-0.4 -11,-0.3 -11,-0.3 -1,-0.1 0.023 55.5 153.6 -42.0 150.5 3.0 3.5 3.7 31 31 A D + 0 0 96 -13,-2.6 2,-0.1 1,-0.1 3,-0.1 -0.291 22.3 102.5 173.6 92.0 5.8 4.0 1.1 32 32 A F S S- 0 0 140 1,-0.6 -1,-0.1 -12,-0.1 2,-0.1 -0.424 77.8 -19.7 177.5 99.1 6.6 7.4 -0.4 33 33 A T S S- 0 0 123 -2,-0.1 2,-1.1 2,-0.1 -1,-0.6 -0.235 97.3 -49.4 87.7-179.9 9.5 9.7 0.6 34 34 A F 0 0 211 -3,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 -0.759 360.0 360.0 -95.3 94.1 11.5 9.7 3.8 35 35 A S 0 0 177 -2,-1.1 -2,-0.1 0, 0.0 -1,-0.0 -0.384 360.0 360.0-166.3 360.0 9.0 9.7 6.6