==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 03-NOV-95 1AGG . COMPND 2 MOLECULE: OMEGA-AGATOXIN-IVB; . SOURCE 2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA; . AUTHOR M.D.REILY,V.THANABAL,M.E.ADAMS . 48 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 4.2 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 2.1 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 . 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 . 2 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 2 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 0 201 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.5 16.5 12.2 5.8 2 2 A D + 0 0 158 2,-0.0 2,-0.0 1,-0.0 0, 0.0 -0.980 360.0 120.6-123.0 115.3 14.4 10.2 8.4 3 3 A N + 0 0 119 -2,-0.5 2,-0.3 17,-0.0 -1,-0.0 -0.388 35.0 120.4-173.9 87.9 10.6 10.9 8.6 4 4 A a - 0 0 62 13,-0.1 2,-0.7 17,-0.0 15,-0.2 -0.879 64.6-110.3-139.3 170.9 8.5 7.8 7.9 5 5 A I B -a 19 0A 18 13,-1.5 15,-1.8 -2,-0.3 16,-0.3 -0.863 28.3-171.7-108.3 98.9 5.8 5.7 9.8 6 6 A A + 0 0 90 -2,-0.7 2,-0.2 13,-0.2 -1,-0.1 0.311 54.2 93.0 -78.8 17.3 7.6 2.4 10.5 7 7 A E - 0 0 122 4,-0.1 30,-0.2 16,-0.1 -2,-0.1 -0.638 64.2-150.0-113.3 159.5 4.3 0.7 11.8 8 8 A D S S+ 0 0 74 -2,-0.2 31,-0.1 28,-0.2 -1,-0.1 0.281 111.7 28.8-107.7 5.8 1.3 -1.4 10.6 9 9 A Y S S+ 0 0 152 28,-0.2 -1,-0.1 29,-0.1 28,-0.1 -0.142 96.8 133.2-149.7 34.0 -1.0 0.2 13.2 10 10 A G - 0 0 0 -5,-0.1 26,-1.5 1,-0.1 2,-0.5 -0.115 66.9 -93.8 -69.7 175.4 0.8 3.7 13.4 11 11 A K B +C 35 0B 164 24,-0.2 24,-0.2 16,-0.0 2,-0.2 -0.889 62.3 152.9 -94.5 127.6 -0.9 7.1 13.3 12 12 A b - 0 0 9 22,-2.2 22,-0.4 -2,-0.5 2,-0.3 -0.704 30.9-129.9-140.2-175.5 -0.9 8.4 9.6 13 13 A T - 0 0 77 4,-1.4 2,-0.9 -2,-0.2 19,-0.0 -0.945 24.4-114.5-140.6 162.5 -2.7 10.7 7.2 14 14 A W S S+ 0 0 142 -2,-0.3 3,-0.1 1,-0.1 4,-0.1 -0.869 118.5 10.3 -94.6 93.3 -4.3 10.7 3.6 15 15 A G S S+ 0 0 80 -2,-0.9 -1,-0.1 1,-0.4 3,-0.1 -0.200 122.5 77.7 118.2 -41.6 -1.8 13.3 2.2 16 16 A G S S- 0 0 40 1,-0.2 -1,-0.4 0, 0.0 2,-0.2 0.350 101.4 -30.0 -68.2-151.4 0.6 13.3 5.2 17 17 A T - 0 0 69 -3,-0.1 -4,-1.4 -13,-0.1 -1,-0.2 -0.460 57.9-159.6 -71.1 141.1 3.3 10.6 6.0 18 18 A K - 0 0 92 -2,-0.2 -13,-1.5 -6,-0.2 2,-0.2 -0.548 42.9 -62.7-106.1 177.3 2.6 7.0 4.8 19 19 A c B >> -aB 5 23A 6 4,-1.5 4,-1.4 -2,-0.2 3,-0.9 -0.448 49.8-115.6 -82.6 142.0 4.3 3.9 6.3 20 20 A a T 34 S+ 0 0 67 -15,-1.8 2,-0.2 1,-0.3 -14,-0.1 0.698 106.0 47.3 -45.4 -50.1 8.1 3.6 5.9 21 21 A R T 34 S- 0 0 177 -16,-0.3 26,-0.4 1,-0.1 -1,-0.3 -0.170 131.9 -79.7 -91.7 39.7 8.6 0.4 3.6 22 22 A G T <4 S+ 0 0 28 -3,-0.9 26,-0.9 -2,-0.2 25,-0.5 0.910 81.5 161.4 59.7 48.8 5.9 1.6 1.1 23 23 A R B < -B 19 0A 81 -4,-1.4 -4,-1.5 23,-0.2 -1,-0.2 -0.802 33.3-119.8-105.9 134.6 3.1 0.3 3.4 24 24 A P - 0 0 16 0, 0.0 13,-2.0 0, 0.0 2,-0.3 0.000 16.3-139.5 -74.7 174.8 -0.6 1.6 2.9 25 25 A b E +D 36 0B 7 11,-0.2 2,-0.3 -7,-0.1 11,-0.2 -0.995 16.2 178.9-135.3 143.3 -3.1 3.5 5.3 26 26 A R E -D 35 0B 131 9,-1.6 9,-1.3 -2,-0.3 -14,-0.1 -0.987 37.9-108.7-137.4 135.0 -6.8 3.2 6.0 27 27 A d E -D 34 0B 27 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.079 29.0 -92.1 -74.5 167.3 -8.4 5.5 8.6 28 28 A S - 0 0 38 5,-0.8 -1,-0.1 4,-0.2 3,-0.1 0.241 54.5 -79.2 -51.3 179.5 -9.7 5.1 12.2 29 29 A M S S+ 0 0 188 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.791 126.7 50.5 -65.3 -33.6 -13.4 4.4 13.2 30 30 A I S S- 0 0 147 2,-0.3 -1,-0.2 3,-0.1 3,-0.1 0.870 111.5-112.9 -74.5 -39.3 -14.6 8.1 12.8 31 31 A G S S+ 0 0 33 1,-0.6 2,-0.2 2,-0.1 -4,-0.2 -0.190 89.8 66.1 131.1 -45.7 -13.2 8.7 9.2 32 32 A T S S+ 0 0 96 1,-0.1 -1,-0.6 -5,-0.1 -2,-0.3 -0.601 78.6 54.4 -98.2 167.9 -10.4 11.3 9.7 33 33 A N S S- 0 0 140 -2,-0.2 -5,-0.8 -3,-0.1 -20,-0.2 0.991 84.8-147.9 69.5 71.8 -7.0 10.8 11.8 34 34 A d E - D 0 27B 4 -22,-0.4 -22,-2.2 -7,-0.2 2,-0.3 -0.085 12.3-148.1 -71.4 166.0 -5.9 7.7 9.8 35 35 A E E -CD 11 26B 58 -9,-1.3 -9,-1.6 -24,-0.2 -24,-0.2 -0.832 25.0 -99.5-123.5 170.4 -3.9 4.6 11.0 36 36 A c E - D 0 25B 2 -26,-1.5 -11,-0.2 -2,-0.3 -28,-0.2 -0.435 28.7-161.4 -90.2 157.9 -1.4 2.3 9.1 37 37 A T - 0 0 23 -13,-2.0 3,-0.2 -30,-0.2 -28,-0.2 -0.996 19.3-135.0-140.8 138.3 -2.2 -1.2 7.6 38 38 A P S S- 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.955 84.7 -14.2 -65.7 -52.9 0.4 -4.1 6.6 39 39 A R - 0 0 163 6,-0.1 2,-0.5 -16,-0.1 5,-0.1 -0.926 58.4-159.7-155.4 128.8 -1.2 -5.0 3.1 40 40 A L > - 0 0 43 -2,-0.3 5,-0.6 -3,-0.2 2,-0.2 -0.945 23.4-129.3-111.3 122.5 -4.6 -4.1 1.5 41 41 A I T 5S+ 0 0 161 -2,-0.5 -2,-0.0 3,-0.1 3,-0.0 -0.534 88.6 22.1 -76.0 132.6 -5.9 -6.4 -1.4 42 42 A M T 5S+ 0 0 148 -2,-0.2 -1,-0.1 2,-0.0 3,-0.1 0.929 135.1 9.6 65.1 96.7 -7.0 -4.3 -4.5 43 43 A E T 5S+ 0 0 146 1,-0.1 2,-0.6 -19,-0.0 0, 0.0 0.668 122.7 35.7 69.2 129.5 -5.1 -0.9 -4.1 44 44 A G T 5 + 0 0 31 1,-0.1 -1,-0.1 -5,-0.1 -3,-0.1 -0.933 66.2 162.1 111.6-109.4 -2.4 -0.6 -1.3 45 45 A L < - 0 0 95 -2,-0.6 2,-0.2 -5,-0.6 -6,-0.1 0.523 53.1 -61.9 67.3 151.6 -0.3 -3.9 -0.8 46 46 A S S S+ 0 0 37 1,-0.2 -23,-0.2 -23,-0.1 -24,-0.1 -0.469 117.1 7.9 -71.0 126.5 3.1 -4.3 1.0 47 47 A F 0 0 151 -25,-0.5 -25,-0.2 -26,-0.4 -24,-0.2 0.975 360.0 360.0 60.0 91.7 6.0 -2.3 -0.7 48 48 A A 0 0 123 -26,-0.9 -25,-0.1 -3,-0.1 -26,-0.1 0.231 360.0 360.0-152.5 360.0 4.2 -0.2 -3.4