==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 26-NOV-95 1LSI . COMPND 2 MOLECULE: LSIII; . SOURCE 2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA; . AUTHOR P.J.CONNOLLY,A.S.STERN,J.C.HOCH . 66 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 42.4 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 . 12 18.2 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 . 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 . 10 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.1 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 0 0 2 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 . 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 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 0 161 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 152.7 2.0 13.0 -1.4 2 2 A E + 0 0 38 17,-0.2 2,-1.2 2,-0.1 10,-0.4 -0.876 360.0 21.4-121.0 155.0 1.4 10.3 1.3 3 3 A a S S+ 0 0 0 -2,-0.3 2,-0.8 55,-0.2 3,-0.5 -0.198 71.0 173.8 83.9 -46.3 3.5 7.2 2.1 4 4 A Y S S- 0 0 92 -2,-1.2 7,-0.2 1,-0.2 -2,-0.1 -0.127 73.1 -17.1 43.0 -88.6 6.5 8.8 0.3 5 5 A L S S+ 0 0 140 -2,-0.8 -1,-0.2 5,-0.1 5,-0.1 -0.427 77.5 166.5-145.1 71.9 8.9 6.0 1.3 6 6 A N - 0 0 22 -3,-0.5 2,-0.3 1,-0.1 54,-0.0 0.078 69.0 -70.4 -64.3-165.8 7.7 3.7 4.1 7 7 A P S S+ 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.016 121.7 63.7 -79.4 32.8 9.7 0.5 4.6 8 8 A H S S- 0 0 58 -2,-0.3 30,-0.2 28,-0.1 28,-0.0 -0.585 110.2 -78.9-134.4-162.7 8.1 -0.7 1.3 9 9 A D - 0 0 112 28,-1.3 29,-0.2 -2,-0.2 27,-0.0 0.871 64.0-174.7 -76.0 -34.6 8.2 0.4 -2.3 10 10 A T - 0 0 11 27,-0.2 30,-0.2 1,-0.1 -5,-0.1 -0.066 21.6-157.6 66.2-174.7 5.8 3.4 -1.7 11 11 A Q - 0 0 111 -9,-0.3 29,-0.2 -7,-0.2 -8,-0.1 0.223 22.9-141.1-170.5 -34.0 4.4 5.5 -4.5 12 12 A T - 0 0 39 -10,-0.4 29,-0.4 27,-0.3 -9,-0.1 0.379 5.9-131.4 69.7 148.5 3.3 8.9 -3.0 13 13 A b + 0 0 3 27,-0.2 -1,-0.1 -11,-0.1 29,-0.1 -0.442 47.2 145.5-133.0 60.6 0.2 10.8 -4.1 14 14 A P + 0 0 87 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.293 55.2 84.8 -79.7 8.6 1.5 14.4 -4.7 15 15 A S S S- 0 0 99 2,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 -0.292 111.2 -63.0-100.2-170.3 -1.0 14.8 -7.6 16 16 A G S S+ 0 0 73 -2,-0.1 -3,-0.0 2,-0.1 -1,-0.0 0.876 120.6 77.3 -41.5 -40.6 -4.6 15.8 -7.6 17 17 A Q - 0 0 77 1,-0.1 -2,-0.1 2,-0.0 26,-0.1 -0.351 58.2-178.9 -69.4 153.8 -5.3 12.7 -5.6 18 18 A E + 0 0 123 24,-0.5 2,-0.3 -4,-0.1 25,-0.1 0.209 45.8 100.9-139.5 15.4 -4.4 12.8 -1.9 19 19 A I E -A 42 0A 46 23,-1.6 23,-1.9 -7,-0.1 2,-0.5 -0.706 55.8-148.3-102.4 156.9 -5.2 9.4 -0.6 20 20 A a E -AB 41 57A 0 37,-1.5 37,-1.8 -2,-0.3 2,-0.3 -0.955 11.6-166.6-126.1 116.6 -2.6 6.6 0.1 21 21 A Y E -AB 40 56A 36 19,-0.8 19,-2.0 -2,-0.5 2,-0.5 -0.687 11.1-142.9-100.0 156.4 -3.6 3.0 -0.4 22 22 A V E -AB 39 55A 2 33,-1.5 33,-0.8 -2,-0.3 2,-0.5 -0.944 10.4-165.9-123.8 117.7 -1.5 0.1 0.9 23 23 A K E +AB 38 54A 65 15,-1.8 15,-1.5 -2,-0.5 2,-0.4 -0.865 14.0 169.4-102.2 125.3 -1.2 -3.1 -1.1 24 24 A S E + B 0 53A 41 29,-1.7 29,-1.1 -2,-0.5 2,-0.2 -0.879 10.2 142.5-140.1 109.6 0.3 -6.1 0.8 25 25 A W - 0 0 58 11,-0.5 11,-0.5 -2,-0.4 2,-0.2 -0.729 27.2-147.0-132.4-176.2 0.2 -9.7 -0.6 26 26 A c - 0 0 65 25,-0.3 2,-0.2 -2,-0.2 25,-0.0 -0.815 15.6-112.5-142.4-176.1 2.5 -12.8 -0.6 27 27 A N > - 0 0 116 -2,-0.2 3,-0.9 1,-0.0 4,-0.1 -0.674 36.6-100.7-116.9 174.3 3.5 -15.7 -2.8 28 28 A A T 3 S+ 0 0 87 1,-0.2 3,-0.0 -2,-0.2 -1,-0.0 0.599 126.8 28.4 -71.7 -6.2 3.0 -19.5 -2.4 29 29 A W T 3 S+ 0 0 218 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.154 79.8 117.4-138.1 19.0 6.6 -19.7 -1.2 30 30 A c X + 0 0 23 -3,-0.9 3,-1.2 3,-0.1 5,-0.2 0.378 33.5 156.2 -71.9 10.4 7.2 -16.2 0.3 31 31 A S T 3 S- 0 0 85 1,-0.3 -3,-0.0 2,-0.1 -5,-0.0 -0.086 87.9 -35.2 -39.9 94.7 7.8 -18.0 3.7 32 32 A S T 3 S+ 0 0 116 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.955 118.6 112.6 43.9 73.6 9.9 -15.1 5.1 33 33 A R S < S- 0 0 201 -3,-1.2 -3,-0.1 0, 0.0 -2,-0.1 0.292 85.4 -36.5-133.4 -94.4 11.5 -14.3 1.7 34 34 A G - 0 0 60 2,-0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.456 58.3-160.3-142.2 67.5 10.8 -11.1 -0.2 35 35 A K - 0 0 126 -5,-0.2 2,-0.9 1,-0.1 -9,-0.1 -0.110 16.9-134.6 -46.5 144.2 7.2 -10.0 0.3 36 36 A V + 0 0 68 -11,-0.5 2,-0.5 -28,-0.0 -11,-0.5 -0.617 45.0 153.6-104.3 73.0 6.2 -7.5 -2.4 37 37 A L + 0 0 22 -2,-0.9 -28,-1.3 -13,-0.2 2,-0.3 -0.885 8.3 157.7-106.7 127.1 4.4 -4.9 -0.3 38 38 A E E -A 23 0A 46 -15,-1.5 -15,-1.8 -2,-0.5 2,-0.3 -0.999 25.2-150.2-146.3 143.6 4.2 -1.3 -1.5 39 39 A F E +A 22 0A 6 -2,-0.3 -27,-0.3 -17,-0.2 -17,-0.2 -0.841 27.1 153.9-112.0 150.1 1.8 1.7 -0.8 40 40 A G E -A 21 0A 0 -19,-2.0 -19,-0.8 -2,-0.3 2,-0.2 -0.558 42.5 -43.0-147.2-147.3 1.0 4.5 -3.3 41 41 A b E +A 20 0A 34 -29,-0.4 2,-0.3 -21,-0.2 -21,-0.3 -0.549 54.2 154.6 -93.6 160.6 -1.6 7.0 -4.2 42 42 A A E -A 19 0A 15 -23,-1.9 -23,-1.6 -2,-0.2 -24,-0.5 -0.971 42.3-129.7-168.0 177.8 -5.4 6.5 -4.4 43 43 A A S S+ 0 0 47 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.741 88.9 3.9-111.2 -42.8 -8.7 8.3 -4.2 44 44 A T S S- 0 0 106 -25,-0.1 -1,-0.3 12,-0.0 -23,-0.0 -0.970 92.4 -83.8-150.1 131.7 -10.7 6.2 -1.6 45 45 A d - 0 0 49 -2,-0.3 11,-0.2 -3,-0.1 -24,-0.1 -0.035 54.4-151.4 -34.2 110.3 -9.7 3.2 0.5 46 46 A P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.148 6.1-123.0 -80.7 179.7 -10.2 0.2 -1.9 47 47 A S - 0 0 93 6,-0.0 2,-0.9 8,-0.0 7,-0.1 -0.108 42.6 -69.4-106.5-152.2 -11.1 -3.3 -0.9 48 48 A V + 0 0 70 1,-0.2 5,-0.1 5,-0.1 -25,-0.0 -0.697 51.7 175.9-106.7 82.7 -9.3 -6.7 -1.6 49 49 A N - 0 0 153 -2,-0.9 -1,-0.2 2,-0.1 4,-0.0 0.897 67.8 -1.5 -49.4 -97.6 -9.8 -7.3 -5.3 50 50 A T S S- 0 0 94 1,-0.1 2,-0.6 3,-0.0 0, 0.0 0.380 122.1 -50.9 -71.6-142.9 -7.9 -10.5 -6.1 51 51 A G S S+ 0 0 66 2,-0.1 2,-0.4 -25,-0.0 -25,-0.3 -0.118 103.7 121.9 -87.3 41.7 -6.0 -12.3 -3.2 52 52 A T - 0 0 22 -2,-0.6 2,-0.9 -27,-0.1 -27,-0.2 -0.827 61.8-135.6-105.5 143.2 -4.3 -8.9 -2.4 53 53 A E E +B 24 0A 125 -29,-1.1 -29,-1.7 -2,-0.4 2,-0.2 -0.782 30.5 177.7 -99.9 99.0 -4.6 -7.3 1.1 54 54 A I E +B 23 0A 31 -2,-0.9 2,-0.3 -31,-0.2 -31,-0.2 -0.575 0.9 178.9 -95.6 163.1 -5.3 -3.6 0.5 55 55 A K E -B 22 0A 50 -33,-0.8 -33,-1.5 -2,-0.2 2,-0.6 -0.948 34.2 -95.0-153.1 172.3 -5.9 -1.1 3.4 56 56 A d E +B 21 0A 57 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.834 49.8 161.5 -98.7 123.6 -6.6 2.6 3.9 57 57 A e E +B 20 0A 2 -37,-1.8 -37,-1.5 -2,-0.6 -55,-0.1 -0.986 23.7 167.6-140.6 151.2 -3.5 4.7 4.6 58 58 A S S S- 0 0 47 -2,-0.3 -55,-0.2 -39,-0.2 2,-0.1 0.397 76.3 -17.2-141.5 -4.3 -2.7 8.4 4.5 59 59 A A S > S- 0 0 41 -57,-0.2 3,-0.6 -39,-0.1 -53,-0.1 -0.423 123.5 -16.4-163.1-115.7 0.7 8.7 6.2 60 60 A D T 3 S+ 0 0 111 1,-0.2 3,-0.2 -2,-0.1 -3,-0.0 -0.012 113.4 87.8 -97.7 31.3 2.6 6.4 8.6 61 61 A K T > + 0 0 73 1,-0.1 3,-1.5 3,-0.1 -1,-0.2 0.356 48.6 104.2-107.7 3.1 -0.6 4.5 9.2 62 62 A e T < S+ 0 0 6 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.801 95.7 32.1 -55.9 -23.9 -0.1 2.2 6.2 63 63 A N T 3 S+ 0 0 79 -3,-0.2 -1,-0.3 -8,-0.0 2,-0.3 -0.374 112.0 71.8-129.7 56.3 0.9 -0.4 8.8 64 64 A T S < S+ 0 0 68 -3,-1.5 -3,-0.1 1,-0.2 0, 0.0 -0.957 73.5 37.3-156.4 174.1 -1.3 0.5 11.9 65 65 A Y 0 0 184 -2,-0.3 -1,-0.2 1,-0.2 -4,-0.0 0.908 360.0 360.0 37.5 77.2 -4.8 0.4 13.3 66 66 A P 0 0 169 0, 0.0 -1,-0.2 0, 0.0 -11,-0.0 -0.598 360.0 360.0 -78.1 360.0 -5.8 -2.9 11.7