==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-JUN-05 1ZVE . COMPND 2 MOLECULE: ALPHA-LIKE NEUROTOXIN BMK-I; . SOURCE 2 ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII; . AUTHOR X.YE,F.BOSMANS,C.LI,Y.ZHANG,D.C.WANG,J.TYTGAT . 66 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 60.6 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 . 17 25.8 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 . 1 1.5 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 . 7 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 12.1 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+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 1 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 0 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 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 N 0 0 150 0, 0.0 3,-0.1 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 175.1 18.1 -1.3 -13.5 2 2 A S + 0 0 86 1,-0.2 53,-2.2 52,-0.1 2,-0.3 0.583 360.0 32.3-111.0 -20.7 16.2 1.9 -14.5 3 3 A V E +A 54 0A 62 51,-0.2 2,-0.3 52,-0.1 -1,-0.2 -0.965 64.0 175.1-136.9 153.1 15.8 3.3 -11.0 4 4 A R E -A 53 0A 45 49,-1.3 49,-2.6 -2,-0.3 2,-0.5 -0.994 32.1-118.9-156.5 153.8 17.9 3.2 -7.8 5 5 A D E + 0 0 85 -2,-0.3 2,-0.3 47,-0.2 46,-0.2 -0.851 63.1 107.6 -93.8 127.3 18.0 4.5 -4.2 6 6 A A E S-A 50 0A 13 44,-1.7 44,-3.4 -2,-0.5 2,-0.5 -0.981 73.4 -56.0-177.3-178.7 21.2 6.6 -3.7 7 7 A Y E -A 49 0A 3 -2,-0.3 53,-2.4 53,-0.3 42,-0.2 -0.705 54.1-130.0 -78.6 122.7 22.8 10.0 -3.3 8 8 A I B -C 59 0B 2 40,-1.1 8,-0.6 -2,-0.5 2,-0.4 -0.498 28.6-149.0 -70.1 145.5 21.9 12.1 -6.2 9 9 A A E -D 15 0C 2 49,-2.6 6,-0.2 6,-0.2 3,-0.0 -0.928 13.8-164.6-123.3 147.6 25.0 13.7 -7.7 10 10 A G E >> -D 14 0C 8 4,-2.9 4,-1.9 -2,-0.4 3,-0.7 -0.574 55.5 -15.2-114.9-179.6 25.7 17.0 -9.4 11 11 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 54,-0.0 -0.398 130.9 5.0 -59.5 118.6 28.7 18.1 -11.5 12 12 A H T 34 S- 0 0 103 -2,-0.3 54,-2.6 52,-0.1 3,-0.1 0.281 122.5 -61.4-128.4 107.8 31.0 16.2 -11.0 13 13 A N T <4 S+ 0 0 29 -3,-0.7 2,-0.4 1,-0.2 48,-0.1 0.899 89.3 141.4 62.4 43.5 30.3 13.2 -8.9 14 14 A a E < -D 10 0C 19 -4,-1.9 -4,-2.9 51,-0.1 -1,-0.2 -0.958 48.4-131.9-118.8 132.2 29.4 15.5 -5.9 15 15 A V E -D 9 0C 30 -2,-0.4 2,-0.7 -6,-0.2 -6,-0.2 -0.279 26.6-112.2 -72.9 165.5 26.6 14.9 -3.5 16 16 A Y - 0 0 76 -8,-0.6 32,-2.0 32,-0.3 -8,-0.1 -0.909 31.6-139.7-101.5 112.4 24.2 17.7 -2.7 17 17 A E - 0 0 147 -2,-0.7 2,-0.3 30,-0.2 30,-0.1 -0.277 24.7-159.3 -66.8 160.4 24.7 18.7 0.9 18 18 A b - 0 0 16 21,-0.1 3,-0.1 1,-0.1 29,-0.1 -0.992 38.4-177.4-148.9 154.5 21.6 19.5 2.9 19 19 A A S S+ 0 0 89 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.554 83.1 37.7-117.7 -24.4 20.2 21.3 5.9 20 20 A R > - 0 0 142 1,-0.1 4,-1.0 17,-0.0 -1,-0.3 -0.962 68.1-134.9-132.6 150.2 16.5 20.2 5.5 21 21 A N H > S+ 0 0 81 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.892 106.4 58.4 -67.2 -40.8 14.7 17.0 4.4 22 22 A E H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.835 97.9 60.6 -58.7 -35.1 12.3 19.0 2.2 23 23 A Y H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 110.9 41.4 -57.1 -44.6 15.2 20.4 0.2 24 24 A c H X S+ 0 0 0 -4,-1.0 4,-2.9 -3,-0.4 13,-0.3 0.853 111.5 53.5 -72.4 -38.2 16.2 16.9 -0.7 25 25 A N H X S+ 0 0 49 -4,-2.3 4,-3.0 11,-0.3 5,-0.3 0.944 113.4 44.6 -62.9 -44.9 12.6 15.7 -1.3 26 26 A D H X S+ 0 0 67 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.939 114.7 47.9 -62.0 -49.6 12.1 18.6 -3.8 27 27 A L H < S+ 0 0 16 -4,-2.2 4,-0.4 -5,-0.3 -2,-0.2 0.906 116.5 44.6 -58.8 -44.7 15.5 18.1 -5.4 28 28 A d H ><>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-1.1 0.962 114.6 45.3 -67.2 -53.1 14.9 14.3 -5.8 29 29 A T H ><5S+ 0 0 56 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.833 107.0 57.3 -64.0 -33.4 11.3 14.4 -7.0 30 30 A K T 3<5S+ 0 0 137 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.690 106.8 53.6 -72.1 -11.2 11.9 17.2 -9.6 31 31 A N T < 5S- 0 0 59 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.187 132.6 -90.7-103.2 14.5 14.5 14.8 -11.0 32 32 A G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.333 81.9 134.8 98.6 -8.5 12.1 11.9 -11.3 33 33 A A < - 0 0 9 -5,-2.2 -1,-0.3 -6,-0.2 19,-0.2 -0.257 61.8-125.9 -73.1 162.2 12.5 10.2 -7.9 34 34 A K S S- 0 0 154 17,-2.5 2,-0.3 1,-0.3 18,-0.1 0.873 82.2 -41.2 -72.9 -38.0 9.6 9.0 -5.8 35 35 A S E -B 51 0A 37 16,-1.0 16,-2.8 -7,-0.1 2,-0.3 -0.954 57.4-152.5-171.5-177.7 10.9 11.0 -2.8 36 36 A G E -B 50 0A 6 -2,-0.3 -11,-0.3 14,-0.2 2,-0.3 -0.987 4.2-167.6-165.8 166.2 14.1 12.0 -1.0 37 37 A Y E -B 49 0A 90 12,-2.2 12,-2.9 -2,-0.3 2,-0.5 -0.971 34.9 -90.0-155.9 166.5 15.5 13.1 2.4 38 38 A b E -B 48 0A 5 -2,-0.3 2,-0.8 10,-0.2 10,-0.2 -0.723 31.4-154.9 -86.8 125.2 18.6 14.6 4.0 39 39 A Q E +B 47 0A 37 8,-2.5 8,-2.0 -2,-0.5 3,-0.1 -0.884 17.4 175.2-102.2 109.3 21.2 12.0 5.1 40 40 A W S S+ 0 0 142 -2,-0.8 6,-0.4 1,-0.3 2,-0.4 0.599 80.3 32.4 -85.7 -13.4 23.3 13.5 7.9 41 41 A V S S+ 0 0 123 4,-0.2 -1,-0.3 6,-0.1 2,-0.3 -0.968 85.2 110.7-144.5 122.6 25.0 10.1 8.3 42 42 A G S > S- 0 0 34 -2,-0.4 3,-1.1 -3,-0.1 4,-0.1 -0.932 79.5 -58.5-169.2-169.5 25.6 7.8 5.4 43 43 A K T 3 S+ 0 0 173 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.821 137.0 25.3 -58.4 -32.2 28.2 6.2 3.1 44 44 A Y T 3 S- 0 0 71 1,-0.4 -1,-0.3 3,-0.0 -29,-0.1 0.103 110.8-120.8-119.8 20.5 29.3 9.7 2.0 45 45 A G S < S+ 0 0 29 -3,-1.1 -1,-0.4 2,-0.1 -4,-0.2 -0.364 76.6 15.9 75.3-156.4 28.3 11.8 4.9 46 46 A N S S+ 0 0 40 -6,-0.4 2,-0.3 -3,-0.1 -6,-0.2 -0.247 86.9 114.8 -54.6 128.2 25.9 14.7 4.7 47 47 A G E - B 0 39A 0 -8,-2.0 -8,-2.5 -30,-0.1 2,-0.3 -0.900 66.6 -80.1 174.0 156.7 24.0 14.6 1.4 48 48 A c E - B 0 38A 0 -32,-2.0 -40,-1.1 -2,-0.3 2,-0.5 -0.549 38.5-157.6 -74.7 131.6 20.6 14.2 -0.3 49 49 A W E -AB 7 37A 56 -12,-2.9 -12,-2.2 -2,-0.3 2,-0.3 -0.945 8.1-157.1-112.2 127.6 19.4 10.6 -0.6 50 50 A d E -AB 6 36A 0 -44,-3.4 -44,-1.7 -2,-0.5 2,-0.5 -0.808 10.3-140.2-108.9 146.5 16.8 9.8 -3.3 51 51 A I E S- B 0 35A 38 -16,-2.8 -17,-2.5 -2,-0.3 -16,-1.0 -0.899 85.6 -6.3-103.9 126.1 14.3 6.9 -3.6 52 52 A E E S- 0 0 94 -2,-0.5 -1,-0.2 -19,-0.2 -47,-0.2 0.918 79.7-175.1 57.9 51.5 13.9 5.5 -7.1 53 53 A L E -A 4 0A 0 -49,-2.6 -49,-1.3 -3,-0.3 -1,-0.2 -0.645 30.1-113.1 -78.7 128.1 16.0 8.1 -8.9 54 54 A P E > -A 3 0A 30 0, 0.0 3,-1.6 0, 0.0 -51,-0.2 -0.296 23.9-119.5 -58.5 145.8 15.8 7.5 -12.8 55 55 A D T 3 S+ 0 0 82 -53,-2.2 -52,-0.1 1,-0.3 4,-0.1 0.341 106.2 72.3 -74.8 8.8 19.2 6.3 -14.2 56 56 A N T 3 S+ 0 0 134 -54,-0.2 -1,-0.3 2,-0.1 -54,-0.0 0.451 89.7 74.7 -95.7 -2.5 19.6 9.3 -16.6 57 57 A V S < S- 0 0 12 -3,-1.6 -47,-0.1 -26,-0.1 -4,-0.0 -0.935 93.3-111.5-110.1 129.8 20.3 11.4 -13.4 58 58 A P - 0 0 78 0, 0.0 -49,-2.6 0, 0.0 2,-0.3 -0.181 27.7-164.3 -62.4 147.4 23.7 10.9 -11.8 59 59 A I B -C 8 0B 41 -51,-0.3 2,-0.3 -4,-0.1 -51,-0.2 -0.871 37.1 -87.8-125.1 160.3 24.3 9.3 -8.4 60 60 A R + 0 0 38 -53,-2.4 -53,-0.3 -2,-0.3 -46,-0.1 -0.542 53.0 177.4 -70.7 130.8 27.4 9.5 -6.2 61 61 A V - 0 0 66 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.843 42.2 -63.4-128.6 166.2 29.8 6.7 -7.1 62 62 A P S S+ 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.201 97.1 59.0 -52.3 139.0 33.3 5.8 -5.9 63 63 A G S S- 0 0 55 -3,-0.0 2,-0.3 2,-0.0 -50,-0.0 -0.877 89.0 -49.9 135.5-167.9 35.8 8.5 -6.6 64 64 A K - 0 0 151 -2,-0.3 2,-0.6 -50,-0.0 -52,-0.1 -0.735 44.8-112.4-107.5 155.1 36.2 12.2 -5.7 65 65 A a 0 0 67 -2,-0.3 -52,-0.2 -54,-0.0 -51,-0.1 -0.751 360.0 360.0 -80.8 120.0 33.8 15.1 -6.0 66 66 A H 0 0 138 -54,-2.6 -52,-0.1 -2,-0.6 -1,-0.0 -0.562 360.0 360.0-135.2 360.0 35.4 17.3 -8.7