==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-JUL-04 1TYK . COMPND 2 MOLECULE: TOXIN GSMTX-4; . SOURCE 2 ORGANISM_SCIENTIFIC: GRAMMOSTOLA ROSEA; . AUTHOR R.E.OSWALD,T.M.SUCHYNA,R.MCFEETERS,P.GOTTLIEB,F.SACHS . 34 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 17.6 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 . 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 11.8 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+3), SAME NUMBER PER 100 RESIDUES . 2 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 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 G 0 0 127 0, 0.0 3,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0-108.2 -6.9 9.4 1.7 2 2 A a - 0 0 59 1,-0.3 2,-0.3 13,-0.3 14,-0.1 0.760 360.0 -1.4-110.1 -45.9 -8.2 5.9 2.2 3 3 A L B -a 16 0A 48 12,-0.6 14,-1.1 4,-0.0 15,-0.5 -0.972 66.1-134.8-153.8 134.0 -5.4 4.0 3.9 4 4 A E - 0 0 113 -2,-0.3 26,-0.2 1,-0.2 3,-0.2 -0.103 49.7 -54.6 -78.6-179.3 -1.9 4.9 4.9 5 5 A F S S+ 0 0 67 1,-0.2 2,-3.1 24,-0.1 -1,-0.2 0.032 119.9 18.9 -50.9 163.1 1.4 3.0 4.4 6 6 A W S S+ 0 0 165 24,-2.3 24,-0.4 1,-0.2 -1,-0.2 -0.289 86.7 122.6 70.3 -58.8 1.7 -0.6 5.6 7 7 A W S S- 0 0 141 -2,-3.1 23,-0.5 -3,-0.2 -1,-0.2 -0.089 73.3-114.3 -39.4 104.1 -2.1 -1.0 5.8 8 8 A K B -B 29 0B 127 21,-0.2 2,-0.2 1,-0.1 21,-0.2 0.108 37.6-163.1 -41.0 156.2 -2.6 -4.0 3.5 9 9 A b - 0 0 7 19,-0.8 -1,-0.1 -3,-0.1 13,-0.0 -0.755 11.3-124.6-136.0-177.9 -4.5 -3.5 0.2 10 10 A N > - 0 0 82 -2,-0.2 4,-1.3 1,-0.0 6,-0.2 -0.981 15.8-132.4-136.1 147.4 -6.2 -5.4 -2.5 11 11 A P T 4 S+ 0 0 113 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.514 108.4 51.1 -74.3 -4.3 -5.8 -5.6 -6.3 12 12 A N T 4 S+ 0 0 158 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.831 133.2 5.3 -98.5 -44.7 -9.6 -5.2 -6.7 13 13 A D T 4 S- 0 0 87 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.697 91.7-152.4-110.0 -32.7 -10.3 -2.2 -4.5 14 14 A D < - 0 0 66 -4,-1.3 -5,-0.1 1,-0.1 -6,-0.0 0.567 13.5-152.7 64.1 137.9 -6.8 -1.1 -3.6 15 15 A K + 0 0 58 -8,-0.1 2,-0.9 -13,-0.0 -12,-0.6 0.467 62.2 107.0-118.5 -9.7 -6.1 0.8 -0.3 16 16 A c B +a 3 0A 12 1,-0.2 -12,-0.1 -6,-0.2 7,-0.1 -0.627 29.3 153.3 -77.1 105.2 -3.0 2.7 -1.4 17 17 A a + 0 0 67 -14,-1.1 -1,-0.2 -2,-0.9 -13,-0.1 0.654 37.7 105.0-104.0 -23.7 -4.1 6.3 -1.7 18 18 A R S S- 0 0 86 -15,-0.5 3,-0.5 -3,-0.2 -3,-0.0 -0.303 81.7-119.1 -60.5 140.8 -0.8 8.0 -1.0 19 19 A P S S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.720 117.7 32.1 -52.6 -23.0 0.9 9.4 -4.2 20 20 A K S S+ 0 0 49 10,-0.0 2,-0.1 2,-0.0 -2,-0.1 0.562 100.5 98.0-111.2 -14.7 3.8 7.1 -3.4 21 21 A L + 0 0 10 -3,-0.5 2,-0.2 9,-0.1 11,-0.2 -0.426 43.2 155.2 -76.0 151.4 1.9 4.2 -1.8 22 22 A K E -C 31 0B 152 9,-0.8 9,-1.6 7,-0.1 2,-1.2 -0.843 55.1 -89.6-175.9 136.7 1.0 1.2 -3.9 23 23 A b E -C 30 0B 40 -2,-0.2 7,-0.2 7,-0.2 2,-0.2 -0.302 56.1-169.0 -54.3 91.0 0.2 -2.5 -3.3 24 24 A S E >>> -C 29 0B 43 5,-1.7 4,-1.1 -2,-1.2 5,-0.6 -0.503 31.1-128.6 -85.6 155.5 3.8 -3.8 -3.6 25 25 A K T 345S+ 0 0 197 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.436 88.5 97.4 -81.3 0.5 4.7 -7.5 -3.9 26 26 A L T 345S- 0 0 109 3,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.934 119.7 -28.0 -53.7 -50.1 7.2 -7.0 -1.0 27 27 A F T <45S- 0 0 83 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.178 94.7 -89.9-154.4 17.4 4.6 -8.3 1.5 28 28 A K T <5S+ 0 0 147 -4,-1.1 -19,-0.8 1,-0.3 2,-0.3 0.875 92.6 111.4 71.0 39.5 1.2 -7.5 -0.0 29 29 A L E