==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 07-NOV-00 1G6M . COMPND 2 MOLECULE: SHORT NEUROTOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA KAOUTHIA; . AUTHOR Y.CHENG,W.WANG,J.WANG . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 43.5 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 . 15 24.2 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 . 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 . 1 1.6 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 . 5 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.2 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 . 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 . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 L 0 0 72 0, 0.0 16,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 128.4 0.9 12.2 0.1 2 2 A E E +A 16 0A 115 14,-0.2 57,-1.0 12,-0.0 14,-0.3 -0.807 360.0 162.1-120.4 89.7 -2.7 11.2 0.1 3 3 A a E -A 15 0A 2 12,-0.8 12,-2.5 -2,-0.6 2,-0.3 -0.236 45.5 -73.3 -94.6-173.8 -3.1 7.5 -0.8 4 4 A H E -A 14 0A 2 10,-0.2 10,-0.2 57,-0.2 36,-0.1 -0.618 35.9-180.0 -85.2 141.5 -6.0 5.1 -0.3 5 5 A N + 0 0 75 8,-2.0 34,-0.3 -2,-0.3 -1,-0.1 0.718 57.3 85.6-108.2 -34.5 -6.7 3.7 3.1 6 6 A Q - 0 0 101 7,-0.7 2,-0.3 32,-0.1 33,-0.2 -0.317 60.0-165.9 -69.1 152.7 -9.7 1.4 2.4 7 7 A Q + 0 0 67 1,-0.1 31,-0.2 31,-0.1 3,-0.1 -0.936 60.0 27.9-138.9 160.9 -9.1 -2.1 1.3 8 8 A S S S+ 0 0 67 29,-1.3 2,-0.3 -2,-0.3 -1,-0.1 0.820 99.2 109.0 58.4 31.6 -11.0 -5.0 -0.2 9 9 A S - 0 0 58 1,-0.1 -1,-0.2 -3,-0.1 0, 0.0 -0.926 68.0-139.6-135.8 159.8 -13.3 -2.4 -1.9 10 10 A Q S S+ 0 0 186 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.932 100.4 35.1 -82.7 -52.8 -13.9 -1.1 -5.4 11 11 A T S S+ 0 0 121 51,-0.1 -1,-0.2 0, 0.0 51,-0.0 -0.688 83.6 178.6-105.8 78.3 -14.3 2.6 -4.6 12 12 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.042 23.5-114.0 -70.0 177.6 -11.8 3.2 -1.7 13 13 A T - 0 0 74 2,-0.0 -8,-2.0 -10,-0.0 -7,-0.7 -0.822 18.7-126.6-116.7 156.5 -11.2 6.6 -0.0 14 14 A T E +A 4 0A 65 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.721 26.7 173.1-102.1 152.2 -8.1 8.8 0.1 15 15 A T E -A 3 0A 60 -12,-2.5 -12,-0.8 -2,-0.3 2,-0.3 -0.936 28.9-121.6-160.0 133.3 -6.3 10.2 3.2 16 16 A G E -A 2 0A 43 -2,-0.3 -14,-0.2 -14,-0.3 2,-0.1 -0.570 27.3-141.1 -79.7 137.5 -3.1 12.1 3.8 17 17 A b - 0 0 52 -16,-1.8 2,-0.2 -2,-0.3 -1,-0.1 -0.378 14.8-159.4 -90.5 171.7 -0.5 10.6 6.1 18 18 A S > + 0 0 117 -2,-0.1 2,-1.5 2,-0.0 3,-0.5 -0.769 54.7 51.7-139.2-176.3 1.7 12.3 8.7 19 19 A G T 3 S- 0 0 90 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.619 118.6 -47.6 87.6 -83.1 4.9 11.9 10.6 20 20 A G T 3 S+ 0 0 71 -2,-1.5 2,-0.6 1,-0.0 -1,-0.2 0.171 91.3 126.0 180.0 38.1 7.4 11.1 7.9 21 21 A E < + 0 0 93 -3,-0.5 -4,-0.2 1,-0.1 -1,-0.0 -0.903 17.3 165.4-114.3 105.5 6.0 8.4 5.5 22 22 A N + 0 0 103 -2,-0.6 2,-0.4 19,-0.1 -1,-0.1 -0.014 57.7 81.6-105.1 27.9 6.0 9.4 1.9 23 23 A N - 0 0 69 33,-0.1 19,-3.5 -22,-0.1 2,-0.5 -0.996 58.4-160.6-137.7 131.7 5.5 5.8 0.6 24 24 A a E -B 55 0B 0 31,-1.7 31,-1.7 -2,-0.4 17,-0.2 -0.946 13.6-154.9-116.4 117.2 2.2 3.8 0.4 25 25 A Y E -B 54 0B 44 -2,-0.5 15,-0.8 17,-0.5 29,-0.2 -0.179 6.3-158.0 -80.0 176.4 2.4 0.0 0.2 26 26 A K E -C 39 0C 41 27,-1.6 2,-0.3 13,-0.2 27,-0.3 -0.567 9.8-170.4-160.1 85.2 -0.1 -2.4 -1.3 27 27 A K E -C 38 0C 53 11,-1.6 11,-2.5 25,-0.2 2,-0.4 -0.652 4.2-163.5 -85.0 135.1 0.1 -6.0 -0.1 28 28 A E E -CD 37 51C 86 23,-1.2 23,-2.0 -2,-0.3 2,-0.4 -0.973 5.3-173.2-122.1 129.4 -2.0 -8.6 -1.9 29 29 A W E -C 36 0C 57 7,-1.6 7,-2.2 -2,-0.4 2,-0.2 -0.967 8.1-152.8-124.6 137.5 -2.9 -12.1 -0.5 30 30 A R E -C 35 0C 212 -2,-0.4 5,-0.2 5,-0.2 3,-0.0 -0.669 13.9-174.4-105.1 161.5 -4.6 -14.9 -2.3 31 31 A D - 0 0 88 3,-2.1 4,-0.1 -2,-0.2 -1,-0.1 0.669 65.2 -68.1-119.8 -42.4 -6.7 -17.8 -0.9 32 32 A N S S+ 0 0 135 2,-1.1 3,-0.0 0, 0.0 -2,-0.0 -0.144 117.7 12.6-175.3 -75.7 -7.4 -20.0 -3.9 33 33 A R S S+ 0 0 205 -3,-0.0 2,-0.2 0, 0.0 -3,-0.0 0.792 128.7 28.6 -92.4 -34.6 -9.7 -18.7 -6.7 34 34 A G - 0 0 28 0, 0.0 -3,-2.1 0, 0.0 -2,-1.1 -0.665 64.0-164.3-121.0 177.2 -9.7 -15.1 -5.6 35 35 A Y E -C 30 0C 169 -5,-0.2 -5,-0.2 -2,-0.2 2,-0.2 -0.988 3.9-153.5-160.0 155.2 -7.5 -12.6 -3.7 36 36 A R E -C 29 0C 113 -7,-2.2 -7,-1.6 -2,-0.3 2,-0.3 -0.634 6.5-152.2-123.1-178.6 -7.6 -9.3 -2.0 37 37 A T E -C 28 0C 20 -9,-0.3 -29,-1.3 -2,-0.2 2,-0.3 -0.963 0.3-156.4-160.1 140.9 -5.1 -6.4 -1.3 38 38 A E E -C 27 0C 41 -11,-2.5 -11,-1.6 -2,-0.3 2,-0.1 -0.893 9.2-161.1-120.9 150.6 -4.7 -3.7 1.4 39 39 A R E +C 26 0C 14 -2,-0.3 2,-0.3 -34,-0.3 -13,-0.2 -0.418 22.7 130.9-114.7-169.1 -2.9 -0.4 1.2 40 40 A G - 0 0 17 -15,-0.8 2,-0.5 -2,-0.1 -36,-0.1 -0.990 54.6 -54.2 156.0-160.6 -1.5 2.1 3.7 41 41 A b S S+ 0 0 30 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.1 -0.970 87.3 46.5-121.5 125.3 1.6 4.2 4.6 42 42 A G - 0 0 6 -19,-3.5 -17,-0.5 -2,-0.5 -21,-0.1 0.010 64.7-122.4 119.7 134.3 5.1 2.7 5.0 43 43 A c - 0 0 71 -19,-0.1 11,-0.1 -18,-0.1 -19,-0.1 -0.795 31.8-162.4-109.8 89.6 7.3 0.2 3.2 44 44 A P - 0 0 61 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.308 16.9-141.2 -69.2 152.7 8.1 -2.7 5.6 45 45 A S + 0 0 131 2,-0.1 2,-0.1 -2,-0.0 -2,-0.0 -0.302 53.1 135.2-109.7 47.0 11.0 -5.0 4.8 46 46 A V - 0 0 104 2,-0.0 2,-0.4 1,-0.0 6,-0.0 -0.218 50.3-124.6 -85.7 179.5 9.4 -8.2 6.0 47 47 A K + 0 0 190 -2,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.971 44.3 130.6-134.3 119.3 9.3 -11.6 4.3 48 48 A K - 0 0 159 -2,-0.4 4,-0.1 2,-0.3 -2,-0.0 -0.987 63.9-107.1-160.7 159.1 6.2 -13.6 3.4 49 49 A G S S+ 0 0 89 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.782 93.2 95.1 -61.0 -26.9 4.5 -15.4 0.6 50 50 A I S S- 0 0 52 1,-0.1 -2,-0.3 -21,-0.1 -21,-0.2 -0.379 87.4-105.2 -67.5 142.7 2.1 -12.5 0.3 51 51 A G B -D 28 0C 33 -23,-2.0 -23,-1.2 -2,-0.1 2,-0.4 -0.397 36.6-171.1 -70.3 144.6 2.9 -9.9 -2.3 52 52 A I + 0 0 77 -25,-0.2 2,-0.3 -2,-0.1 -25,-0.2 -0.963 10.0 164.9-142.9 122.4 4.3 -6.5 -1.1 53 53 A N - 0 0 59 -2,-0.4 -27,-1.6 -27,-0.3 2,-0.3 -0.859 16.5-154.7-131.4 165.8 4.9 -3.4 -3.2 54 54 A c E +B 25 0B 49 -2,-0.3 2,-0.2 -29,-0.2 -29,-0.2 -0.997 10.7 179.6-146.1 138.2 5.5 0.3 -2.5 55 55 A d E -B 24 0B 31 -31,-1.7 -31,-1.7 -2,-0.3 6,-0.1 -0.771 22.9-144.2-129.7 174.5 4.9 3.5 -4.5 56 56 A T + 0 0 96 -2,-0.2 2,-0.3 -33,-0.2 -33,-0.1 -0.425 62.6 84.5-141.4 63.0 5.4 7.3 -4.0 57 57 A T S > S- 0 0 66 -33,-0.1 3,-1.7 -56,-0.0 4,-0.2 -0.975 83.6 -70.9-156.1 164.8 2.5 9.1 -5.7 58 58 A D T 3 S- 0 0 117 -2,-0.3 -55,-0.2 1,-0.3 -2,-0.1 -0.395 116.7 -7.4 -63.4 130.6 -1.0 10.3 -5.2 59 59 A R T 3 S+ 0 0 134 -57,-1.0 3,-0.4 -2,-0.1 -1,-0.3 0.816 87.7 148.9 51.5 32.4 -3.6 7.5 -5.1 60 60 A d < + 0 0 33 -3,-1.7 2,-0.7 1,-0.3 -2,-0.1 0.771 63.3 59.5 -66.0 -26.2 -0.7 5.2 -6.1 61 61 A N 0 0 1 -4,-0.2 -1,-0.3 -6,-0.1 -57,-0.2 -0.529 360.0 360.0-103.4 64.9 -2.3 2.4 -4.2 62 62 A N 0 0 100 -2,-0.7 -51,-0.1 -3,-0.4 -52,-0.1 -0.857 360.0 360.0-118.7 360.0 -5.6 2.2 -6.0