==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 27-OCT-94 1IVA . COMPND 2 MOLECULE: OMEGA-AGATOXIN-IVA; . SOURCE 2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA; . AUTHOR M.D.REILY,K.E.HOLUB . 48 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 33.3 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 . 2 4.2 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 . 1 2.1 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 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 6.2 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 . 1 2.1 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 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 K 0 0 170 0, 0.0 11,-0.0 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 132.4 -8.8 -5.9 3.9 2 2 A K + 0 0 182 0, 0.0 15,-0.0 0, 0.0 0, 0.0 0.967 360.0 3.5 54.3 86.9 -12.1 -6.7 1.9 3 3 A K S S- 0 0 194 17,-0.0 14,-0.1 16,-0.0 17,-0.1 0.959 132.5 -28.5 66.2 89.3 -12.4 -4.2 -1.1 4 4 A a - 0 0 22 15,-0.1 15,-0.1 16,-0.1 13,-0.1 0.408 66.7-102.9 52.4 167.9 -9.1 -2.1 -0.8 5 5 A I - 0 0 20 17,-0.1 14,-0.1 2,-0.1 3,-0.1 0.955 31.6-159.4 -85.4 -62.2 -6.8 -1.1 2.2 6 6 A A + 0 0 55 16,-0.2 2,-0.2 1,-0.2 16,-0.1 0.968 54.0 89.8 72.2 61.6 -7.7 2.6 3.0 7 7 A K S > S- 0 0 105 15,-0.4 3,-0.9 14,-0.2 2,-0.3 -0.763 77.0-111.1-179.5 131.7 -4.5 3.7 5.0 8 8 A D T 3 S+ 0 0 105 1,-0.2 29,-0.2 -2,-0.2 14,-0.1 -0.577 109.0 14.5 -65.4 128.3 -1.1 5.3 4.3 9 9 A Y T 3 S+ 0 0 110 27,-2.7 2,-0.3 -2,-0.3 -1,-0.2 0.871 88.9 172.2 72.6 39.8 1.6 2.6 5.0 10 10 A G < - 0 0 0 -3,-0.9 2,-2.4 26,-0.5 26,-0.4 -0.703 43.5-110.6 -90.7 134.4 -1.0 -0.4 5.0 11 11 A R + 0 0 171 -2,-0.3 23,-0.2 24,-0.2 24,-0.2 -0.320 59.7 165.0 -76.9 72.6 0.5 -3.9 5.2 12 12 A b - 0 0 3 -2,-2.4 22,-1.0 14,-0.1 2,-0.3 0.234 26.9-145.8 -73.6-177.7 -0.5 -5.0 1.8 13 13 A K > - 0 0 122 4,-0.6 2,-0.8 5,-0.3 3,-0.7 -0.974 23.0-119.1-152.6 154.5 0.4 -7.8 -0.7 14 14 A W T 3 S+ 0 0 210 -2,-0.3 3,-0.1 1,-0.2 11,-0.0 -0.862 112.4 34.5 -90.9 109.2 0.8 -8.3 -4.5 15 15 A G T 3 S+ 0 0 72 -2,-0.8 -1,-0.2 1,-0.1 2,-0.2 0.685 116.0 60.1 104.0 39.1 -1.9 -11.0 -5.0 16 16 A G S < S- 0 0 50 -3,-0.7 -1,-0.1 1,-0.2 -4,-0.1 -0.469 103.0 -14.9-149.8-139.6 -4.4 -9.7 -2.3 17 17 A T - 0 0 42 -2,-0.2 -4,-0.6 1,-0.1 -1,-0.2 -0.589 63.9-136.9 -70.1 143.1 -6.3 -6.5 -1.6 18 18 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 0.647 37.0 -87.7 -66.7-127.9 -5.0 -3.4 -3.8 19 19 A c - 0 0 25 1,-0.1 3,-0.1 -14,-0.1 4,-0.1 -0.941 32.5-165.2-149.4 142.9 -4.8 -0.1 -1.9 20 20 A a S S+ 0 0 59 -2,-0.3 2,-0.4 2,-0.2 3,-0.1 0.956 76.0 0.1 -93.3 -64.5 -7.6 2.5 -1.6 21 21 A R S S+ 0 0 154 1,-0.3 -1,-0.2 22,-0.1 -14,-0.2 -0.884 131.9 32.1-139.8 93.7 -6.3 6.0 -0.4 22 22 A G S S- 0 0 2 17,-0.7 -15,-0.4 -2,-0.4 -1,-0.3 0.428 85.6-172.4 110.8 100.1 -2.5 5.9 0.1 23 23 A R + 0 0 106 16,-0.4 13,-0.1 14,-0.2 -4,-0.0 -0.773 38.5 95.8-134.1 170.8 -0.9 3.4 -2.5 24 24 A G - 0 0 34 -2,-0.2 12,-0.2 12,-0.1 -1,-0.1 -0.490 47.6-148.0 157.2 -81.4 2.2 1.6 -3.7 25 25 A b + 0 0 6 10,-0.8 2,-0.3 1,-0.2 11,-0.2 0.772 32.5 161.6 68.7 44.4 2.4 -1.9 -2.3 26 26 A I B -A 35 0A 107 9,-0.8 9,-1.7 1,-0.1 -1,-0.2 -0.644 33.1-127.8 -78.4 143.2 6.2 -2.3 -2.0 27 27 A d - 0 0 49 -2,-0.3 7,-0.1 7,-0.3 -1,-0.1 -0.244 5.1-119.7 -92.3 172.9 7.1 -5.1 0.4 28 28 A S - 0 0 48 -2,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.291 62.4 -61.7 -79.4-150.4 9.4 -5.7 3.5 29 29 A I S S+ 0 0 163 1,-0.1 -1,-0.0 4,-0.1 5,-0.0 -0.437 134.7 35.4 -98.6 56.9 12.3 -8.2 3.8 30 30 A M S S- 0 0 116 -2,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.256 103.5-111.6-168.6 -40.4 9.9 -11.2 3.2 31 31 A G S S+ 0 0 45 -5,-0.0 -17,-0.1 -18,-0.0 -4,-0.0 0.899 100.4 66.3 87.1 50.9 7.0 -10.2 0.6 32 32 A T S S+ 0 0 82 -19,-0.1 2,-0.9 0, 0.0 0, 0.0 0.222 86.3 55.7-157.9 -72.2 4.1 -10.3 3.1 33 33 A N S S+ 0 0 95 -20,-0.0 -21,-0.1 2,-0.0 -20,-0.1 -0.242 82.8 148.5 -70.3 39.4 4.3 -7.6 5.8 34 34 A d - 0 0 1 -22,-1.0 2,-0.3 -2,-0.9 -7,-0.3 0.499 40.2-123.6 -68.3-157.4 4.5 -4.9 3.0 35 35 A E B -A 26 0A 42 -9,-1.7 2,-1.1 -24,-0.2 -10,-0.8 -0.950 9.4-132.4-156.6 144.1 3.2 -1.2 3.0 36 36 A c - 0 0 0 -26,-0.4 -27,-2.7 -2,-0.3 -26,-0.5 -0.784 48.6-123.3 -96.8 89.7 0.8 0.9 0.8 37 37 A K - 0 0 78 -2,-1.1 2,-0.6 -29,-0.2 -14,-0.2 0.206 30.1 -85.9 -47.5 153.7 3.2 3.9 0.4 38 38 A P S S+ 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.455 71.6 127.2 -76.2 109.9 1.9 7.5 1.5 39 39 A R + 0 0 102 -2,-0.6 -17,-0.7 -3,-0.2 -16,-0.4 -0.722 2.9 138.6-163.0 109.8 -0.0 9.4 -1.3 40 40 A L S > >S+ 0 0 78 -2,-0.2 3,-1.0 -19,-0.2 5,-0.8 0.729 92.9 29.2-103.8 -67.7 -3.5 11.0 -1.3 41 41 A I T 3 5S+ 0 0 84 1,-0.2 -2,-0.0 4,-0.2 7,-0.0 0.015 124.5 53.2 -81.9 24.7 -3.0 14.3 -3.2 42 42 A M T 3 5S+ 0 0 157 3,-0.0 -1,-0.2 5,-0.0 -2,-0.0 0.066 101.8 62.8-136.6 21.8 -0.2 12.5 -5.2 43 43 A E T < 5S- 0 0 38 -3,-1.0 -2,-0.1 -21,-0.0 -3,-0.1 0.632 129.2 -33.5-108.8-102.4 -2.4 9.4 -6.3 44 44 A G T 5S+ 0 0 69 -4,-0.4 -3,-0.1 2,-0.0 -4,-0.0 0.414 132.8 58.2 -99.9 -5.5 -5.4 10.3 -8.6 45 45 A L < - 0 0 98 -5,-0.8 2,-0.7 1,-0.1 3,-0.2 0.940 60.5-178.4 -94.8 -69.3 -6.3 13.8 -7.0 46 46 A G S S+ 0 0 48 -6,-0.2 -1,-0.1 1,-0.2 -5,-0.1 -0.546 77.9 10.8 102.3 -67.4 -3.2 16.2 -7.3 47 47 A L 0 0 157 -2,-0.7 -1,-0.2 1,-0.2 -6,-0.1 0.798 360.0 360.0-110.0 -59.8 -4.7 19.4 -5.5 48 48 A A 0 0 121 -3,-0.2 -1,-0.2 -7,-0.0 0, 0.0 -0.715 360.0 360.0 -95.4 360.0 -8.1 18.7 -3.7