==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 25-JUN-97 2ERA . COMPND 2 MOLECULE: ERABUTOXIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA; . AUTHOR J.F.GAUCHER,R.MENEZ,B.ARNOUX,A.MENEZ,A.DUCRUIX . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 48.4 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 . 19 30.6 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 1.6 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 . 4 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.1 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 . 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 R 0 0 88 0, 0.0 16,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.3 12.2 7.5 11.9 2 2 A I E -A 16 0A 56 14,-0.2 57,-2.8 20,-0.1 2,-0.3 -0.975 360.0-175.8-118.8 135.5 10.0 6.0 9.2 3 3 A a E -A 15 0A 0 12,-2.5 12,-2.7 -2,-0.4 2,-0.2 -0.913 31.4-106.2-128.3 156.0 7.5 8.1 7.4 4 4 A F E -A 14 0A 22 -2,-0.3 10,-0.3 10,-0.2 21,-0.2 -0.560 31.7-177.9 -75.3 149.6 4.8 7.4 4.8 5 5 A N + 0 0 66 8,-2.4 34,-0.2 -2,-0.2 9,-0.2 0.214 36.0 119.9-135.6 20.4 5.8 8.6 1.4 6 6 A H - 0 0 9 7,-0.7 2,-0.3 32,-0.1 6,-0.1 -0.509 60.0-118.3 -86.8 155.1 2.8 7.8 -0.8 7 7 A Q > - 0 0 77 -2,-0.2 3,-1.8 31,-0.1 31,-0.2 -0.644 65.5 -34.7 -92.1 145.0 0.8 10.3 -2.8 8 8 A G T 3 S- 0 0 18 29,-2.4 -2,-0.1 -2,-0.3 28,-0.1 -0.096 116.0 -30.0 49.3-133.0 -2.9 10.9 -2.2 9 9 A S T 3 S+ 0 0 127 3,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.000 98.1 130.3-107.7 25.6 -5.0 7.9 -1.2 10 10 A Q S < S- 0 0 110 -3,-1.8 3,-0.1 1,-0.2 -4,-0.1 -0.218 76.5 -63.1 -71.3 165.7 -2.8 5.4 -3.1 11 11 A P S S- 0 0 116 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.240 70.3 -96.4 -51.9 143.1 -1.6 2.2 -1.3 12 12 A Q - 0 0 120 -3,-0.1 2,-0.3 -6,-0.1 -3,-0.0 -0.412 43.9-179.1 -74.1 133.7 0.7 3.2 1.5 13 13 A T - 0 0 69 -2,-0.2 -8,-2.4 -3,-0.1 -7,-0.7 -0.921 12.0-147.4-126.5 151.6 4.4 3.1 1.1 14 14 A T E -A 4 0A 84 -2,-0.3 2,-0.4 -10,-0.3 -10,-0.2 -0.853 5.7-158.4-123.0 160.6 7.0 4.0 3.7 15 15 A K E -A 3 0A 90 -12,-2.7 -12,-2.5 -2,-0.3 2,-0.6 -1.000 16.8-136.3-138.7 130.7 10.5 5.5 3.7 16 16 A T E -A 2 0A 98 -2,-0.4 -14,-0.2 -14,-0.2 25,-0.1 -0.827 33.2-135.8 -88.5 120.7 13.2 5.2 6.3 17 17 A b - 0 0 11 -16,-2.7 3,-0.1 -2,-0.6 -1,-0.0 -0.163 25.9 -81.6 -74.2 167.9 14.6 8.6 6.9 18 18 A S > - 0 0 84 1,-0.1 3,-2.2 2,-0.1 -1,-0.2 -0.307 63.5 -82.7 -63.2 152.0 18.3 9.7 7.2 19 19 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.331 119.4 21.8 -58.2 137.4 19.8 9.2 10.7 20 20 A G T 3 S+ 0 0 88 1,-0.3 2,-0.6 -3,-0.1 -2,-0.1 0.363 87.7 127.3 88.5 -10.9 18.9 12.1 12.9 21 21 A E < + 0 0 68 -3,-2.2 -1,-0.3 1,-0.1 -4,-0.1 -0.754 29.0 174.0 -83.1 121.7 15.8 13.1 10.9 22 22 A S + 0 0 46 -2,-0.6 2,-0.2 -3,-0.1 -1,-0.1 0.611 46.9 77.5-105.1 -10.7 12.9 13.3 13.3 23 23 A S - 0 0 16 33,-0.1 19,-3.0 -22,-0.1 2,-0.3 -0.618 48.6-167.5-106.9 160.7 10.1 14.7 11.2 24 24 A a E -BC 41 55B 0 31,-2.2 31,-2.1 17,-0.3 2,-0.3 -0.906 19.0-151.5-131.5 156.5 7.7 13.6 8.5 25 25 A Y E -BC 40 54B 38 15,-2.5 15,-1.5 -2,-0.3 2,-0.4 -0.920 18.0-158.9-135.6 162.2 5.6 15.9 6.4 26 26 A N E -BC 39 53B 13 27,-2.1 27,-2.4 -2,-0.3 2,-0.4 -0.982 20.9-173.0-138.6 115.6 2.3 16.1 4.5 27 27 A K E -BC 38 52B 32 11,-3.0 11,-3.1 -2,-0.4 2,-0.4 -0.953 1.9-173.9-115.6 137.0 2.2 18.7 1.7 28 28 A Q E +BC 37 51B 63 23,-2.7 23,-2.6 -2,-0.4 2,-0.3 -0.990 15.1 141.9-138.8 138.7 -0.9 19.7 -0.2 29 29 A W E -B 36 0B 59 7,-1.9 7,-3.1 -2,-0.4 2,-0.4 -0.933 35.3-123.0-157.2 174.3 -1.7 21.9 -3.2 30 30 A S E +B 35 0B 84 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.955 23.1 176.1-128.1 143.7 -3.8 22.0 -6.3 31 31 A D E > -B 34 0B 65 3,-2.2 3,-0.8 -2,-0.4 -2,-0.0 -0.715 55.9 -75.3-129.3-173.6 -2.9 22.4 -9.9 32 32 A F T 3 S+ 0 0 195 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.658 129.0 51.6 -61.3 -16.4 -5.0 22.3 -13.0 33 33 A R T 3 S- 0 0 204 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.698 119.0 -81.9 -93.7 -23.5 -5.2 18.5 -12.8 34 34 A G E < -B 31 0B 33 -3,-0.8 -3,-2.2 2,-0.0 2,-0.5 -0.986 63.8 -29.8 156.3-163.3 -6.4 18.1 -9.3 35 35 A T E -B 30 0B 103 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.800 50.9-158.5 -95.5 127.4 -5.5 18.0 -5.6 36 36 A I E -B 29 0B 27 -7,-3.1 -7,-1.9 -2,-0.5 2,-0.5 -0.875 10.3-174.1-109.3 132.9 -2.0 16.7 -4.8 37 37 A I E -B 28 0B 38 -2,-0.4 -29,-2.4 -9,-0.2 2,-0.4 -0.984 10.8-175.4-125.0 114.2 -1.0 15.3 -1.4 38 38 A E E -B 27 0B 64 -11,-3.1 -11,-3.0 -2,-0.5 2,-0.3 -0.882 2.3-168.6-112.9 148.2 2.7 14.4 -1.0 39 39 A R E +B 26 0B 21 -2,-0.4 2,-0.3 -34,-0.2 -13,-0.2 -0.964 20.3 123.2-133.6 151.1 4.3 12.8 2.0 40 40 A G E -B 25 0B 5 -15,-1.5 -15,-2.5 -2,-0.3 2,-0.2 -0.976 53.1 -51.2-179.1-171.7 7.9 12.2 3.0 41 41 A b E S+B 24 0B 34 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.1 -0.590 91.0 18.9 -84.3 149.7 10.7 12.6 5.5 42 42 A G S S- 0 0 8 -19,-3.0 13,-0.2 -2,-0.2 -2,-0.2 -0.368 83.9 -89.7 88.5-176.3 11.7 15.9 7.0 43 43 A c - 0 0 68 -2,-0.1 -1,-0.1 -20,-0.1 3,-0.1 -0.751 47.0-155.8-139.6 85.3 9.9 19.2 7.3 44 44 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.070 28.9 -81.3 -60.4 162.0 10.6 21.2 4.1 45 45 A T - 0 0 129 1,-0.1 2,-0.2 7,-0.0 0, 0.0 -0.452 48.0-102.3 -72.4 141.2 10.5 25.0 3.9 46 46 A V - 0 0 109 -2,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.396 36.5-166.2 -63.3 119.2 7.1 26.7 3.3 47 47 A K > - 0 0 100 -2,-0.2 3,-1.9 1,-0.1 -1,-0.0 -0.855 39.5 -81.5-106.0 147.6 6.7 27.9 -0.3 48 48 A P T 3 S+ 0 0 131 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.161 111.4 7.5 -50.7 131.6 3.9 30.3 -1.1 49 49 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 -20,-0.0 -3,-0.0 0.470 97.9 119.0 77.9 2.9 0.4 28.8 -1.5 50 50 A I < - 0 0 40 -3,-1.9 2,-0.5 -21,-0.1 -1,-0.2 -0.852 59.0-137.2-103.9 134.3 1.4 25.3 -0.4 51 51 A K E -C 28 0B 142 -23,-2.6 -23,-2.7 -2,-0.4 2,-0.4 -0.811 26.1-171.8 -91.2 124.4 -0.2 23.8 2.7 52 52 A L E -C 27 0B 53 -2,-0.5 2,-0.4 -25,-0.2 -25,-0.2 -0.977 14.0-177.9-124.4 135.1 2.4 22.0 4.9 53 53 A S E -C 26 0B 69 -27,-2.4 -27,-2.1 -2,-0.4 2,-0.3 -0.994 9.2-172.3-130.7 121.7 1.9 19.8 8.0 54 54 A c E +C 25 0B 51 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.880 5.7 174.8-117.6 148.3 4.8 18.4 9.9 55 55 A d E -C 24 0B 31 -31,-2.1 -31,-2.2 -2,-0.3 -13,-0.1 -0.968 25.2-141.3-146.1 159.3 4.9 15.9 12.7 56 56 A E + 0 0 132 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.1 -0.429 64.6 82.9-125.6 60.2 7.6 14.0 14.7 57 57 A S S > S- 0 0 64 -2,-0.1 3,-1.4 -55,-0.1 4,-0.2 -0.958 88.1 -63.3-150.7 164.8 6.5 10.5 15.4 58 58 A E T 3 S- 0 0 91 -2,-0.3 -55,-0.2 1,-0.3 -2,-0.1 -0.248 112.6 -18.3 -55.4 135.7 6.5 7.2 13.5 59 59 A V T 3 S+ 0 0 56 -57,-2.8 3,-0.5 1,-0.2 -1,-0.3 0.783 89.5 147.7 31.4 49.9 4.5 7.1 10.3 60 60 A d < + 0 0 37 -3,-1.4 -1,-0.2 -58,-0.3 -2,-0.1 0.559 48.1 75.7 -86.3 -8.0 2.6 10.2 11.6 61 61 A N 0 0 6 -4,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.074 360.0 360.0 -98.6 26.9 2.0 11.8 8.2 62 62 A N 0 0 112 -3,-0.5 -36,-0.1 -36,-0.1 -50,-0.0 -0.523 360.0 360.0 -69.8 360.0 -0.9 9.7 6.7