==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-JUL-00 1FF4 . COMPND 2 MOLECULE: MUSCARINIC TOXIN/ACETYLCHOLINE RECEPTOR BINDING P . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS ANGUSTICEPS; . AUTHOR R.MENEZ,M.H.LE DU,J.F.GAUCHER,A.MENEZ . 65 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 53.8 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 . 20 30.8 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 . 2 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 8 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.2 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 . 0 0 0 1 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 L 0 0 52 0, 0.0 16,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.2 32.5 23.9 27.7 2 2 A T E -A 16 0A 23 14,-0.3 60,-3.3 20,-0.1 2,-0.3 -0.981 360.0-176.0-113.2 122.3 31.3 27.0 26.0 3 3 A a E -A 15 0A 0 12,-2.6 12,-2.2 -2,-0.5 2,-0.3 -0.900 34.3-110.0-119.4 153.1 32.8 27.7 22.6 4 4 A V E -A 14 0A 16 -2,-0.3 2,-0.4 10,-0.2 21,-0.3 -0.617 46.6-163.7 -72.3 141.1 32.4 30.5 20.1 5 5 A T E -A 13 0A 15 8,-2.7 8,-2.6 -2,-0.3 2,-0.5 -0.987 22.3-128.3-135.4 141.3 30.4 28.9 17.3 6 6 A T E -A 12 0A 48 34,-2.4 6,-0.3 -2,-0.4 4,-0.0 -0.795 39.0-116.1 -85.8 122.3 29.8 30.0 13.7 7 7 A K > - 0 0 88 4,-2.0 3,-2.3 -2,-0.5 4,-0.1 -0.360 15.5-125.0 -61.8 141.6 26.0 29.9 13.2 8 8 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.690 115.9 45.4 -58.4 -22.0 25.0 27.4 10.6 9 9 A I T 3 S- 0 0 156 1,-0.4 -1,-0.3 0, 0.0 -2,-0.1 -0.021 132.6 -84.2-111.6 28.8 23.2 30.2 8.8 10 10 A G S < S+ 0 0 42 -3,-2.3 -1,-0.4 1,-0.2 2,-0.2 0.232 88.6 73.9 83.3 152.9 26.2 32.6 9.2 11 11 A G S S- 0 0 45 -4,-0.1 -4,-2.0 -3,-0.1 2,-0.4 -0.518 72.9 -89.4 102.6-174.1 27.2 34.8 12.2 12 12 A V E +A 6 0A 82 -6,-0.3 -6,-0.2 -2,-0.2 2,-0.2 -0.997 41.0 158.1-147.4 132.1 28.6 33.8 15.5 13 13 A T E -A 5 0A 71 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.4 -0.612 39.8-101.3-127.3-161.6 27.2 32.8 18.9 14 14 A T E -A 4 0A 72 -10,-0.3 2,-0.4 -2,-0.2 -10,-0.2 -0.926 37.8-173.5-127.0 140.5 28.3 31.0 21.9 15 15 A E E -A 3 0A 74 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.5 -0.994 28.0-124.9-145.7 140.1 27.3 27.4 22.6 16 16 A D E -A 2 0A 119 -2,-0.4 -14,-0.3 -14,-0.2 3,-0.1 -0.725 40.9-122.2 -77.9 123.5 27.6 24.9 25.3 17 17 A b - 0 0 16 -16,-3.0 3,-0.1 -2,-0.5 -1,-0.1 -0.349 28.3-103.8 -67.8 146.1 29.1 21.9 23.7 18 18 A P > - 0 0 65 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.298 55.1 -75.9 -63.9 157.4 27.2 18.7 24.0 19 19 A A T 3 S+ 0 0 110 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.356 123.8 31.1 -55.0 132.2 28.4 16.1 26.6 20 20 A G T 3 S+ 0 0 58 -3,-0.1 2,-0.7 1,-0.1 -1,-0.2 0.276 93.8 102.2 100.0 -10.3 31.6 14.4 25.2 21 21 A Q < + 0 0 61 -3,-2.0 23,-0.2 1,-0.1 -4,-0.1 -0.866 34.1 155.7-109.9 97.4 32.7 17.5 23.2 22 22 A N + 0 0 111 -2,-0.7 2,-0.4 22,-0.3 22,-0.2 0.141 44.8 86.3-111.1 20.7 35.5 19.1 25.1 23 23 A V E -B 43 0B 27 20,-1.9 20,-2.1 22,-0.1 2,-0.4 -0.954 53.9-160.8-125.8 134.9 37.4 20.9 22.4 24 24 A a E -BC 42 58B 0 34,-3.4 34,-2.4 -2,-0.4 2,-0.3 -0.909 19.5-167.4-102.9 145.1 36.7 24.3 20.9 25 25 A F E -BC 41 57B 29 16,-2.3 16,-1.8 -2,-0.4 2,-0.4 -0.958 20.7-166.7-135.9 153.1 38.3 24.9 17.5 26 26 A K E -BC 40 56B 33 30,-2.1 30,-2.8 -2,-0.3 2,-0.4 -0.974 17.6-173.5-135.7 115.0 38.9 27.9 15.3 27 27 A R E -BC 39 55B 37 12,-3.0 12,-3.0 -2,-0.4 2,-1.0 -0.965 19.9-149.7-118.0 131.4 39.8 27.0 11.7 28 28 A W E -B 38 0B 61 26,-2.1 2,-0.8 -2,-0.4 10,-0.2 -0.902 21.8-160.7 -98.7 97.6 40.9 29.5 9.1 29 29 A H E -B 37 0B 63 8,-3.3 8,-2.7 -2,-1.0 2,-0.5 -0.798 7.6-143.4 -87.1 111.1 39.6 27.7 6.0 30 30 A Y E +B 36 0B 96 -2,-0.8 6,-0.3 6,-0.3 23,-0.1 -0.606 25.1 173.4 -78.9 118.6 41.4 29.0 3.0 31 31 A V S S+ 0 0 83 4,-2.7 5,-0.2 -2,-0.5 -1,-0.2 0.738 77.5 8.3 -92.6 -31.7 39.1 29.2 -0.0 32 32 A T S S- 0 0 60 3,-2.3 -1,-0.3 0, 0.0 0, 0.0 -0.860 95.0 -89.8-138.6 170.3 41.7 31.0 -2.1 33 33 A P S S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.652 129.5 24.2 -59.5 -12.4 45.5 31.8 -1.5 34 34 A K S S+ 0 0 162 1,-0.1 2,-0.4 0, 0.0 -4,-0.0 0.569 113.9 70.7-124.2 -18.8 44.4 35.0 0.1 35 35 A N + 0 0 96 2,-0.0 -4,-2.7 0, 0.0 -3,-2.3 -0.866 52.1 165.1-111.9 143.6 40.8 34.5 1.3 36 36 A Y E -B 30 0B 110 -2,-0.4 2,-0.4 -6,-0.3 -6,-0.3 -0.939 27.4-137.5-147.9 160.9 39.6 32.3 4.1 37 37 A D E -B 29 0B 100 -8,-2.7 -8,-3.3 -2,-0.3 2,-0.5 -0.958 23.2-133.1-120.2 142.0 36.5 31.7 6.2 38 38 A I E -B 28 0B 54 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.852 19.5-166.3 -99.9 129.6 36.8 31.2 9.9 39 39 A I E +B 27 0B 65 -12,-3.0 -12,-3.0 -2,-0.5 2,-0.3 -0.966 10.0 179.1-115.5 131.3 34.9 28.3 11.3 40 40 A K E +B 26 0B 39 -2,-0.5 -34,-2.4 -14,-0.2 2,-0.3 -0.967 19.0 96.6-132.7 149.4 34.4 28.0 15.0 41 41 A G E -B 25 0B 5 -16,-1.8 -16,-2.3 -2,-0.3 2,-0.2 -0.993 61.0 -48.3 167.5-169.7 32.7 25.5 17.3 42 42 A b E +B 24 0B 20 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.616 46.8 170.9 -90.6 151.7 32.6 22.5 19.5 43 43 A A E -B 23 0B 15 -20,-2.1 -20,-1.9 -2,-0.2 3,-0.1 -0.977 41.2-129.4-157.0 158.9 34.2 19.2 18.6 44 44 A A S S+ 0 0 62 -2,-0.3 -22,-0.3 -23,-0.2 2,-0.3 0.778 99.1 5.9 -79.3 -31.6 35.0 15.8 20.3 45 45 A T S S- 0 0 102 -22,-0.1 -1,-0.2 -24,-0.1 -22,-0.1 -0.939 101.5 -75.7-143.2 165.2 38.6 16.0 19.1 46 46 A c - 0 0 60 -2,-0.3 3,-0.1 1,-0.1 11,-0.1 -0.483 65.6-103.5 -64.5 123.2 40.6 18.7 17.3 47 47 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.192 36.2-105.7 -52.5 139.8 39.4 18.5 13.6 48 48 A K - 0 0 153 -3,-0.1 2,-0.5 2,-0.0 -3,-0.0 -0.493 35.4-163.4 -68.5 128.7 41.7 16.7 11.2 49 49 A V + 0 0 48 -2,-0.2 6,-0.1 1,-0.1 -1,-0.0 -0.980 28.5 151.6-119.1 121.5 43.5 19.1 9.0 50 50 A D + 0 0 113 -2,-0.5 -1,-0.1 1,-0.0 -2,-0.0 0.343 69.2 65.0-126.5 1.6 45.2 17.8 5.8 51 51 A N S S- 0 0 63 2,-0.1 -21,-0.1 0, 0.0 -1,-0.0 0.092 110.8-108.9-110.9 18.3 44.9 20.9 3.6 52 52 A N + 0 0 152 1,-0.2 3,-0.0 -23,-0.0 -3,-0.0 0.679 60.7 159.7 63.4 19.2 47.2 23.0 5.8 53 53 A D - 0 0 8 1,-0.1 -1,-0.2 -23,-0.1 -24,-0.1 -0.564 48.4-113.2 -68.3 131.9 44.4 25.2 7.1 54 54 A P - 0 0 59 0, 0.0 -26,-2.1 0, 0.0 2,-0.4 -0.416 42.8-171.9 -63.5 147.6 45.7 26.9 10.3 55 55 A I E -C 27 0B 51 -28,-0.2 2,-0.5 -6,-0.1 -28,-0.2 -0.999 20.3-156.8-146.2 144.5 43.6 25.5 13.2 56 56 A R E -C 26 0B 115 -30,-2.8 -30,-2.1 -2,-0.4 2,-0.4 -0.993 14.1-178.1-121.0 121.0 43.4 26.4 16.8 57 57 A c E +C 25 0B 41 -2,-0.5 2,-0.3 -32,-0.2 -32,-0.2 -0.992 13.6 155.1-122.4 132.5 42.1 23.7 19.2 58 58 A d E -C 24 0B 19 -34,-2.4 -34,-3.4 -2,-0.4 6,-0.1 -0.969 38.9-139.8-152.7 163.1 41.7 24.5 22.9 59 59 A G + 0 0 49 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.0 0.157 67.7 90.9-118.1 22.7 39.7 23.3 25.9 60 60 A T S > S- 0 0 95 -36,-0.1 3,-2.1 1,-0.1 4,-0.2 -0.850 88.5 -74.6-117.0 154.0 38.7 26.4 27.8 61 61 A D T 3 S- 0 0 102 -2,-0.3 -58,-0.2 1,-0.3 -1,-0.1 -0.164 110.8 -13.0 -49.5 125.2 35.6 28.5 27.5 62 62 A K T > S+ 0 0 104 -60,-3.3 3,-0.8 1,-0.1 -1,-0.3 0.724 87.6 139.8 54.0 29.4 35.6 30.7 24.4 63 63 A d T < + 0 0 11 -3,-2.1 -1,-0.1 -61,-0.3 -2,-0.1 0.636 63.4 65.5 -73.9 -14.9 39.2 30.0 23.9 64 64 A N T 3 0 0 0 -4,-0.2 -1,-0.3 1,-0.2 -39,-0.1 -0.120 360.0 360.0 -97.9 28.8 38.5 29.8 20.1 65 65 A D < 0 0 124 -3,-0.8 -1,-0.2 -39,-0.1 -2,-0.1 0.857 360.0 360.0 -67.5 360.0 37.5 33.4 19.8