==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-MAR-09 2KGH . COMPND 2 MOLECULE: VENOM PEPTIDE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BRACHYPELMA RUHNAUI; . AUTHOR G.CORZO,C.BERNARD,H.CLEMENT,F.BOSMANS,J.TYGAT,L.D.POSSANI, . 39 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 48.7 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 . 8 20.5 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 2.6 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 . 8 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.6 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 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 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 I 0 0 156 0, 0.0 2,-2.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 143.7 3.4 -5.7 -5.2 2 2 A F - 0 0 109 1,-0.1 16,-0.4 15,-0.0 26,-0.1 -0.368 360.0-139.8 -76.0 65.5 5.4 -2.7 -3.8 3 3 A E + 0 0 167 -2,-2.5 -1,-0.1 1,-0.1 15,-0.1 0.144 56.2 120.9 36.7 -89.7 7.3 -1.8 -6.9 4 4 A a S S- 0 0 55 1,-0.1 -1,-0.1 13,-0.1 9,-0.1 0.055 74.8-104.3 16.8-123.4 10.9 -0.9 -6.3 5 5 A V - 0 0 73 7,-0.5 8,-0.2 13,-0.0 15,-0.1 0.292 33.5-152.8-140.3 -51.4 13.3 -3.2 -8.2 6 6 A F + 0 0 14 6,-1.4 14,-0.4 3,-0.1 7,-0.2 0.969 43.4 144.7 65.2 59.8 14.5 -5.5 -5.4 7 7 A S - 0 0 59 2,-0.2 6,-0.1 12,-0.1 3,-0.1 0.314 67.0-123.8 -92.7 1.7 17.9 -6.5 -6.7 8 8 A b + 0 0 27 1,-0.3 2,-0.1 4,-0.1 24,-0.1 0.432 66.8 139.3 66.8 3.8 18.7 -6.3 -3.0 9 9 A D S > S- 0 0 86 1,-0.1 4,-2.1 23,-0.1 -1,-0.3 -0.416 71.7-108.2 -64.8 152.4 21.4 -3.8 -3.8 10 10 A I T 4 S+ 0 0 114 1,-0.2 -1,-0.1 23,-0.2 -2,-0.0 0.683 118.7 25.1 -58.5 -21.5 21.7 -1.0 -1.4 11 11 A K T 4 S+ 0 0 183 22,-0.1 -1,-0.2 -4,-0.0 3,-0.0 0.670 119.1 54.3-117.7 -28.5 20.3 1.4 -4.1 12 12 A K T 4 S- 0 0 106 -7,-0.1 -6,-1.4 -5,-0.0 -7,-0.5 0.746 141.7 -9.6 -73.0 -28.4 18.2 -1.0 -6.3 13 13 A E S < S+ 0 0 0 -4,-2.1 17,-0.1 -7,-0.2 19,-0.0 -0.381 76.0 144.9-133.1-144.0 16.6 -1.8 -3.1 14 14 A G + 0 0 26 1,-0.5 18,-0.2 -2,-0.2 16,-0.1 0.893 66.0 50.3 103.9 54.5 17.9 -0.8 0.3 15 15 A K S S- 0 0 100 16,-0.2 16,-1.7 14,-0.2 2,-0.9 -0.885 110.2 -41.4 164.2 176.4 14.7 -0.3 2.3 16 16 A P E S+A 30 0A 60 0, 0.0 14,-0.3 0, 0.0 2,-0.2 -0.581 81.1 141.7 -74.5 105.2 11.5 -2.4 2.9 17 17 A a E -A 29 0A 4 12,-2.7 11,-1.8 -2,-0.9 12,-1.8 -0.515 53.4 -79.0-128.8-165.2 10.7 -3.9 -0.4 18 18 A K - 0 0 12 -16,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.893 34.8-132.1-115.7 105.4 9.4 -7.0 -2.1 19 19 A P - 0 0 22 0, 0.0 2,-0.7 0, 0.0 3,-0.2 -0.356 24.8-170.3 -57.1 99.7 11.8 -10.0 -2.6 20 20 A K S S+ 0 0 153 -2,-0.6 3,-0.1 -14,-0.4 6,-0.0 -0.877 75.3 6.2 -98.1 115.0 11.3 -11.0 -6.1 21 21 A G S S+ 0 0 74 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.385 100.6 124.0 96.5 -3.4 13.0 -14.3 -6.8 22 22 A E - 0 0 72 -3,-0.2 -1,-0.4 1,-0.1 0, 0.0 -0.678 44.1-166.4 -91.1 146.4 13.9 -14.8 -3.2 23 23 A K S S+ 0 0 200 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.629 87.7 33.5-102.7 -19.7 12.9 -18.0 -1.4 24 24 A K S S+ 0 0 166 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.826 101.9 75.8-105.0 -44.1 13.7 -16.8 2.1 25 25 A c - 0 0 16 1,-0.0 2,-0.2 4,-0.0 -3,-0.1 -0.491 63.7-165.3 -76.0 137.7 13.0 -13.2 2.2 26 26 A T - 0 0 90 -2,-0.2 3,-0.5 1,-0.1 -9,-0.1 -0.592 37.3 -63.3-115.0 176.5 9.2 -12.2 2.3 27 27 A G S S+ 0 0 48 1,-0.2 -9,-0.2 -2,-0.2 -1,-0.1 -0.387 117.2 39.7 -66.5 139.2 7.5 -8.8 1.6 28 28 A G S S+ 0 0 18 -11,-1.8 11,-2.3 1,-0.3 2,-0.5 0.712 82.8 137.8 94.1 25.5 8.3 -6.0 3.9 29 29 A W E -AB 17 38A 63 -12,-1.8 -12,-2.7 -3,-0.5 2,-0.7 -0.908 48.6-138.2-110.0 129.1 11.9 -6.9 4.0 30 30 A R E -AB 16 37A 72 7,-2.6 7,-2.9 -2,-0.5 2,-0.3 -0.786 12.2-137.8 -88.5 111.7 14.5 -4.2 3.9 31 31 A b E - B 0 36A 1 -16,-1.7 2,-0.4 -2,-0.7 5,-0.3 -0.581 25.9-177.1 -65.8 129.3 17.4 -5.0 1.7 32 32 A K E > - B 0 35A 104 3,-3.1 2,-3.0 -2,-0.3 3,-1.5 -0.832 51.2 -78.2-138.1 88.9 20.2 -3.8 3.7 33 33 A I T 3 S+ 0 0 124 -2,-0.4 -23,-0.2 1,-0.3 3,-0.1 -0.171 127.8 30.1 61.3 -62.4 23.6 -4.2 1.9 34 34 A K T 3 S- 0 0 178 -2,-3.0 -1,-0.3 1,-0.2 2,-0.3 0.879 126.9 -23.2 -93.9 -48.1 24.1 -7.9 2.6 35 35 A L E < S-B 32 0A 94 -3,-1.5 -3,-3.1 -5,-0.1 2,-0.5 -0.835 75.9 -64.5-155.3-175.0 20.6 -9.2 2.7 36 36 A c E -B 31 0A 10 -5,-0.3 2,-0.5 -2,-0.3 -5,-0.3 -0.744 43.1-171.9 -89.1 126.2 16.9 -8.7 3.2 37 37 A L E -B 30 0A 60 -7,-2.9 -7,-2.6 -2,-0.5 -12,-0.0 -0.948 23.2-122.5-127.8 106.4 16.1 -7.7 6.7 38 38 A K E B 29 0A 117 -2,-0.5 -9,-0.3 -9,-0.3 -10,-0.1 -0.033 360.0 360.0 -42.3 141.7 12.4 -7.6 7.8 39 39 A I 0 0 152 -11,-2.3 -1,-0.1 -24,-0.0 -24,-0.0 -0.875 360.0 360.0 -95.1 360.0 11.1 -4.3 9.1