==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 23-NOV-04 1Y2P . COMPND 2 MOLECULE: NEUROTOXIN HSTX1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.MOSBAH,L.GARIGA,H.DARBON,J.M.SABATIER . 34 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 52.9 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 11.8 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 2.9 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 . 3 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 14.7 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 1 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 0 106 0, 0.0 2,-0.4 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 116.1 -2.4 -1.7 -7.6 2 2 A S - 0 0 114 6,-0.1 2,-0.2 26,-0.1 27,-0.1 -0.989 360.0-170.0-132.2 123.6 -5.8 -2.5 -6.1 3 3 A a - 0 0 6 -2,-0.4 6,-0.0 1,-0.1 4,-0.0 -0.622 27.6-169.0-110.9 166.1 -6.3 -3.0 -2.3 4 4 A R S S+ 0 0 215 1,-0.4 -1,-0.1 -2,-0.2 20,-0.1 0.550 83.8 19.6-117.3 -31.3 -8.9 -4.2 0.0 5 5 A T S >> S- 0 0 72 1,-0.1 3,-1.4 18,-0.0 4,-0.5 -0.863 85.5-102.7-133.7 165.1 -7.2 -3.1 3.2 6 6 A P G >4 S+ 0 0 67 0, 0.0 3,-1.6 0, 0.0 24,-0.2 0.939 125.1 47.1 -53.1 -50.0 -4.5 -0.6 4.2 7 7 A K G >4 S+ 0 0 151 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.494 95.5 78.5 -72.7 -2.4 -1.9 -3.4 4.6 8 8 A D G X4 S+ 0 0 62 -3,-1.4 3,-0.7 1,-0.2 -1,-0.3 0.744 87.3 56.7 -78.6 -20.9 -3.2 -4.7 1.3 9 9 A b G S+ 0 0 7 -3,-0.8 4,-1.2 10,-0.2 -1,-0.2 0.786 85.7 52.0 -66.6 -25.2 1.9 -3.6 1.4 11 11 A D H <4 S+ 0 0 98 -3,-0.7 4,-0.4 -4,-0.2 -1,-0.2 0.962 115.4 37.9 -75.6 -55.1 2.3 -5.9 -1.6 12 12 A P H >> S+ 0 0 22 0, 0.0 4,-2.9 0, 0.0 3,-1.4 0.901 115.9 54.2 -58.3 -43.7 2.3 -3.1 -4.2 13 13 A c H 3X>S+ 0 0 0 -4,-3.5 4,-3.4 8,-0.3 5,-2.3 0.865 101.8 58.1 -60.6 -35.3 4.3 -0.8 -1.8 14 14 A R H 3<5S+ 0 0 127 -4,-1.2 -1,-0.3 4,-0.3 -3,-0.1 0.678 112.8 41.1 -66.2 -16.3 6.9 -3.7 -1.5 15 15 A K H <45S+ 0 0 151 -3,-1.4 -2,-0.3 -4,-0.4 -1,-0.2 0.795 119.6 45.0 -91.1 -39.5 7.1 -3.2 -5.3 16 16 A E H <5S- 0 0 84 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.965 142.5 -3.0 -69.0 -57.1 7.0 0.5 -5.2 17 17 A T T <5S- 0 0 47 -4,-3.4 -3,-0.2 2,-0.3 -4,-0.1 0.578 94.0-116.5-113.9 -20.2 9.5 1.2 -2.4 18 18 A G S -A 28 0A 108 3,-1.9 3,-0.8 -2,-0.5 -22,-0.1 -0.388 46.2 -80.4 -86.6 171.6 -8.1 4.6 0.5 26 26 A N T 3 S- 0 0 153 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.839 126.1 -10.7 -40.5 -48.2 -11.8 4.1 0.2 27 27 A R T 3 S+ 0 0 167 -25,-0.0 -1,-0.3 2,-0.0 2,-0.3 -0.111 128.6 81.9-141.8 40.5 -11.2 2.8 -3.3 28 28 A K E < -A 25 0A 129 -3,-0.8 -3,-1.9 -26,-0.0 2,-0.4 -0.873 65.7-131.3-135.8 171.5 -7.5 3.8 -3.7 29 29 A b E -A 24 0A 30 -5,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.987 20.0-174.0-132.0 131.6 -4.2 2.3 -2.7 30 30 A K E -A 23 0A 128 -7,-3.3 -7,-2.4 -2,-0.4 2,-0.3 -0.965 6.2-160.7-128.7 144.2 -1.3 4.1 -1.1 31 31 A c - 0 0 32 -2,-0.4 2,-1.1 -9,-0.3 -9,-0.2 -0.843 28.1-119.6-117.0 159.8 2.2 3.2 -0.2 32 32 A N - 0 0 92 -2,-0.3 2,-0.7 -13,-0.2 -10,-0.1 -0.538 37.7-179.8 -96.9 64.0 4.7 4.6 2.2 33 33 A R 0 0 166 -2,-1.1 -2,-0.0 1,-0.0 -20,-0.0 -0.587 360.0 360.0 -66.3 109.8 7.3 5.5 -0.3 34 34 A C 0 0 169 -2,-0.7 -2,-0.1 -17,-0.0 -1,-0.0 -0.877 360.0 360.0-122.0 360.0 10.0 7.1 1.8