==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 09-OCT-97 1QDP . COMPND 2 MOLECULE: ROBUSTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ATRAX ROBUSTUS; . AUTHOR P.K.PALLAGHY,D.ALEWOOD,P.F.ALEWOOD,R.S.NORTON . 42 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 40.5 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 . 4 9.5 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 . 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 . 9 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.4 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 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 a 0 0 92 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 94.2 2.0 -0.4 -0.7 2 2 A A - 0 0 21 16,-0.0 13,-1.7 4,-0.0 2,-0.3 -0.759 360.0-120.8-124.7 171.5 -0.2 -0.0 -3.8 3 3 A K > - 0 0 166 -2,-0.3 3,-1.8 11,-0.1 28,-0.2 -0.893 37.4 -86.1-120.8 150.5 0.6 0.4 -7.5 4 4 A K T 3 S+ 0 0 82 -2,-0.3 3,-0.1 1,-0.2 28,-0.1 -0.361 114.2 48.5 -54.3 121.1 -0.3 3.2 -9.9 5 5 A R T 3 S+ 0 0 220 1,-0.3 2,-0.5 26,-0.2 -1,-0.2 -0.414 102.2 62.9 137.0 -46.9 -3.7 2.2 -11.4 6 6 A N S < S- 0 0 121 -3,-1.8 25,-0.4 25,-0.1 -1,-0.3 -0.901 90.1-135.8-101.2 131.2 -5.6 1.4 -8.1 7 7 A W - 0 0 127 -2,-0.5 23,-0.2 23,-0.2 -4,-0.1 -0.293 17.2-148.2 -87.9 176.7 -5.7 4.6 -6.1 8 8 A b - 0 0 26 13,-0.1 2,-1.8 -2,-0.1 5,-0.2 0.539 25.6-139.4-112.3 -21.8 -5.0 5.4 -2.6 9 9 A G S S+ 0 0 8 12,-0.2 2,-0.3 3,-0.1 21,-0.2 -0.376 87.9 18.3 90.4 -58.2 -7.5 8.3 -2.1 10 10 A K S > S- 0 0 98 -2,-1.8 2,-2.4 19,-0.1 3,-0.7 -0.904 99.9 -92.0-136.6 162.2 -4.7 9.9 -0.1 11 11 A N T 3 S+ 0 0 81 -2,-0.3 3,-0.2 9,-0.2 -2,-0.1 -0.171 95.9 99.9 -73.5 47.6 -1.0 9.3 0.2 12 12 A E T 3 S+ 0 0 144 -2,-2.4 2,-0.4 -4,-0.2 -1,-0.2 0.856 83.0 31.3-101.2 -46.5 -1.4 6.8 3.1 13 13 A D S < S+ 0 0 103 -3,-0.7 2,-0.3 -5,-0.2 -1,-0.1 -0.523 83.7 121.7-115.4 70.0 -1.2 3.3 1.5 14 14 A c - 0 0 21 -2,-0.4 2,-1.1 -13,-0.2 -11,-0.1 -0.812 65.1-117.2-121.6 163.8 1.2 3.4 -1.5 15 15 A a - 0 0 52 -13,-1.7 -11,-0.1 -2,-0.3 -2,-0.1 -0.809 69.4 -84.2-103.3 88.6 4.3 1.5 -2.4 16 16 A d S S+ 0 0 57 -2,-1.1 26,-0.1 1,-0.2 21,-0.1 0.241 106.4 48.3 -39.0 156.1 6.7 4.5 -2.5 17 17 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.056 94.1 98.4 -95.5 96.9 7.8 6.7 -4.0 18 18 A M - 0 0 30 15,-0.2 2,-0.3 22,-0.1 15,-0.2 -0.961 49.7-159.8-137.0 150.5 4.2 7.6 -5.0 19 19 A K E -A 32 0A 53 13,-2.9 13,-2.8 -2,-0.3 2,-0.3 -0.874 35.5 -99.0-125.7 157.6 1.9 10.1 -3.6 20 20 A b E -A 31 0A 0 -2,-0.3 11,-0.2 11,-0.2 -9,-0.2 -0.648 46.9-147.0 -82.4 146.2 -1.9 10.0 -4.1 21 21 A I E -A 30 0A 47 9,-2.2 9,-0.7 -2,-0.3 2,-0.3 -0.671 9.8-148.1-112.4 164.5 -3.1 12.3 -6.9 22 22 A Y + 0 0 92 -2,-0.2 7,-0.1 7,-0.2 3,-0.0 -0.822 16.3 178.5-130.4 165.6 -6.0 14.4 -7.8 23 23 A A - 0 0 70 -2,-0.3 -1,-0.1 0, 0.0 6,-0.0 0.332 62.4 -67.9-127.8-100.1 -8.0 15.8 -10.7 24 24 A W S S+ 0 0 205 2,-0.1 -2,-0.0 -2,-0.0 0, 0.0 0.614 116.4 63.0-131.5 -54.6 -11.0 18.0 -10.0 25 25 A Y S S- 0 0 96 1,-0.1 -3,-0.0 2,-0.0 0, 0.0 0.772 82.0-169.9 -46.7 -35.7 -14.0 16.1 -8.3 26 26 A N + 0 0 91 1,-0.1 2,-0.3 2,-0.1 -2,-0.1 -0.021 50.2 102.6 65.5-176.6 -11.8 15.4 -5.2 27 27 A Q S S+ 0 0 176 1,-0.1 2,-0.2 -18,-0.1 -1,-0.1 -0.344 94.6 37.0 98.2 -45.0 -12.8 13.0 -2.4 28 28 A Q - 0 0 77 -2,-0.3 2,-0.2 -18,-0.0 -2,-0.1 -0.674 69.7-169.4-123.9 178.8 -10.5 10.4 -3.8 29 29 A G - 0 0 0 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.675 19.7-106.5-149.6-159.4 -7.0 10.4 -5.5 30 30 A S E -A 21 0A 34 -9,-0.7 -9,-2.2 -2,-0.2 2,-0.7 -0.994 26.6-113.6-144.7 139.8 -4.6 8.2 -7.4 31 31 A c E +A 20 0A 0 -25,-0.4 2,-0.4 -2,-0.3 -26,-0.2 -0.616 53.2 164.5 -74.9 115.4 -1.2 6.5 -6.6 32 32 A Q E -A 19 0A 77 -13,-2.8 -13,-2.9 -2,-0.7 2,-2.5 -0.985 47.4-121.0-133.8 145.1 1.1 8.5 -8.9 33 33 A T S S+ 0 0 47 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.334 76.8 96.0 -79.6 60.9 4.9 8.8 -8.9 34 34 A T + 0 0 65 -2,-2.5 2,-2.7 -15,-0.2 3,-0.4 -0.890 56.0 32.3-146.3 179.3 4.9 12.5 -8.6 35 35 A I S S- 0 0 111 1,-0.3 4,-0.1 -2,-0.3 -2,-0.1 -0.429 146.7 -3.7 76.0 -56.7 5.1 15.7 -6.5 36 36 A T S > S+ 0 0 45 -2,-2.7 2,-2.1 2,-0.1 4,-0.7 0.183 106.0 111.9-138.6 3.3 7.5 13.7 -4.3 37 37 A G T 4 S+ 0 0 4 -3,-0.4 -2,-0.1 1,-0.2 -18,-0.1 -0.186 85.4 37.2 -81.9 52.2 7.2 10.3 -6.0 38 38 A L T 4 S+ 0 0 137 -2,-2.1 -1,-0.2 -4,-0.1 -2,-0.1 0.193 120.6 35.1-158.5 -58.4 10.8 10.5 -7.2 39 39 A F T 4 S+ 0 0 142 1,-0.2 2,-0.9 -4,-0.1 -2,-0.1 0.132 88.3 98.3 -97.8 23.4 13.0 12.1 -4.5 40 40 A K S < S- 0 0 85 -4,-0.7 -1,-0.2 -23,-0.1 -22,-0.1 -0.575 71.8-156.4-107.2 64.5 11.1 10.6 -1.6 41 41 A K 0 0 179 -2,-0.9 -2,-0.1 1,-0.2 -25,-0.0 -0.167 360.0 360.0 -43.3 125.9 13.7 7.8 -1.4 42 42 A d 0 0 124 -26,-0.1 -1,-0.2 -27,-0.0 -26,-0.0 0.618 360.0 360.0-126.8 360.0 12.0 4.8 0.3