==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-DEC-00 1HOY . COMPND 2 MOLECULE: LONG NEUROTOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR M.SCARSELLI,O.SPIGA,A.CIUTTI,L.BRACCI,B.LELLI,L.LOZZI, . 88 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 45.5 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 . 12 13.6 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 . 1 1.1 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 . 1 1.1 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 . 13 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.8 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 . 1 1.1 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 0 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 . 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 I 0 0 101 0, 0.0 15,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-168.6 -6.5 6.7 11.1 2 2 A V E -A 15 0A 28 59,-0.2 62,-0.6 60,-0.2 63,-0.4 -0.874 360.0-168.9-125.6 158.3 -7.4 4.0 8.6 3 3 A a E -A 14 0A 2 11,-0.6 11,-2.0 -2,-0.3 2,-0.2 -0.987 24.7-112.4-146.5 150.2 -5.5 2.3 5.8 4 4 A H E -A 13 0A 20 -2,-0.3 2,-0.6 39,-0.3 9,-0.2 -0.567 24.1-139.1 -84.3 147.6 -6.4 0.0 2.9 5 5 A T + 0 0 13 7,-0.7 7,-0.2 -2,-0.2 38,-0.2 -0.936 32.1 160.3-113.0 114.3 -5.1 -3.5 2.8 6 6 A T S S+ 0 0 0 36,-1.2 72,-0.2 -2,-0.6 -1,-0.1 0.577 79.5 50.8-103.2 -16.7 -4.0 -4.8 -0.5 7 7 A A S S+ 0 0 45 35,-0.6 36,-0.1 34,-0.0 -2,-0.1 0.906 120.6 28.8 -85.2 -49.6 -1.9 -7.7 0.9 8 8 A T S S+ 0 0 105 33,-0.0 -2,-0.0 2,-0.0 35,-0.0 0.856 126.5 6.9 -74.9-104.2 -4.5 -9.1 3.2 9 9 A S S S- 0 0 58 3,-0.1 3,-0.0 1,-0.0 -5,-0.0 0.287 94.9 -84.2 -62.8-161.6 -8.1 -8.7 2.1 10 10 A P S S- 0 0 84 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.956 88.5 -55.8 -75.0 -54.5 -9.1 -7.2 -1.3 11 11 A I S S+ 0 0 41 -4,-0.0 2,-0.3 56,-0.0 -5,-0.1 -0.309 73.6 143.5 166.2 103.3 -8.9 -3.5 -0.4 12 12 A S - 0 0 49 -7,-0.2 2,-1.2 -9,-0.1 -7,-0.7 -0.978 50.8-113.2-154.8 139.6 -10.7 -1.8 2.4 13 13 A A E +A 4 0A 21 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.3 -0.629 50.5 161.5 -76.8 99.0 -9.9 1.0 4.8 14 14 A V E -A 3 0A 62 -11,-2.0 -11,-0.6 -2,-1.2 -2,-0.1 -0.988 44.2-105.7-126.1 128.0 -9.8 -0.8 8.1 15 15 A T E -A 2 0A 101 -2,-0.4 -13,-0.2 -13,-0.2 29,-0.1 -0.116 37.8-139.0 -48.3 142.0 -8.2 0.6 11.3 16 16 A C - 0 0 51 -15,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.388 23.6 -86.8 -97.9 178.6 -4.9 -1.2 12.1 17 17 A P > - 0 0 82 0, 0.0 3,-0.6 0, 0.0 2,-0.6 0.003 64.5 -59.9 -74.9-174.2 -3.6 -2.3 15.5 18 18 A P T 3 S+ 0 0 136 0, 0.0 3,-0.1 0, 0.0 28,-0.1 -0.607 118.0 45.6 -75.0 115.8 -1.5 -0.2 17.9 19 19 A G T 3 S+ 0 0 41 -2,-0.6 2,-0.8 1,-0.3 26,-0.1 -0.284 75.8 99.0 152.0 -56.0 1.7 0.9 16.2 20 20 A E < - 0 0 58 -3,-0.6 26,-0.3 1,-0.2 -1,-0.3 -0.506 42.8-178.0 -66.4 105.3 0.8 2.2 12.8 21 21 A N S S- 0 0 119 -2,-0.8 2,-0.3 25,-0.2 -1,-0.2 0.317 72.2 -6.6 -86.1 7.2 0.8 6.0 13.2 22 22 A L E S-B 45 0B 30 23,-0.8 23,-2.6 -21,-0.1 39,-0.2 -0.941 82.5 -84.6-174.7-170.8 -0.2 6.2 9.6 23 23 A a E -BC 44 60B 0 37,-3.3 37,-1.0 21,-0.3 21,-0.3 -0.322 34.7-163.8-104.1-171.6 -0.7 4.3 6.4 24 24 A Y E -B 43 0B 31 19,-1.8 19,-1.8 35,-0.4 2,-0.4 -0.975 19.1-131.4-166.9 167.9 1.7 3.2 3.7 25 25 A R E -B 42 0B 66 -2,-0.3 17,-0.2 17,-0.3 2,-0.1 -0.855 23.2-166.7-136.8 98.8 2.0 1.9 0.1 26 26 A K E -B 41 0B 44 15,-0.6 15,-0.9 -2,-0.4 2,-0.3 -0.464 7.7-171.7 -82.3 156.0 4.3 -1.0 -0.5 27 27 A M + 0 0 27 13,-0.2 29,-1.3 -2,-0.1 13,-0.1 -0.994 27.8 117.7-149.9 149.4 5.4 -2.1 -3.9 28 28 A W - 0 0 65 -2,-0.3 2,-0.2 27,-0.2 29,-0.0 -0.293 68.2 -62.1-166.2-101.7 7.3 -4.9 -5.6 29 29 A C - 0 0 38 9,-0.3 9,-0.2 -2,-0.1 -2,-0.0 -0.710 43.2-117.1-175.7 119.3 5.8 -7.3 -8.2 30 30 A D > - 0 0 21 7,-0.2 3,-0.5 -2,-0.2 47,-0.0 0.175 47.5 -88.8 -48.2 178.0 2.9 -9.7 -8.0 31 31 A A T 3 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.470 135.3 42.0 -72.7 -0.8 3.6 -13.4 -8.4 32 32 A F T 3 S- 0 0 149 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.464 92.2-148.7-119.7 -11.9 3.0 -12.7 -12.1 33 33 A C < - 0 0 74 -3,-0.5 4,-0.1 2,-0.1 5,-0.1 0.898 28.9-161.4 37.5 59.1 5.0 -9.4 -12.3 34 34 A S > - 0 0 41 1,-0.1 3,-1.2 2,-0.1 -4,-0.1 0.053 35.1 -93.9 -59.5 176.5 2.5 -8.3 -15.0 35 35 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -3,-0.0 3,-0.1 0.484 114.6 87.1 -73.0 -2.4 3.4 -5.5 -17.4 36 36 A R T 3 S- 0 0 101 1,-0.3 44,-0.6 52,-0.1 2,-0.5 0.393 98.0-130.5 -77.0 3.8 1.6 -3.3 -14.9 37 37 A G < - 0 0 30 -3,-1.2 -1,-0.3 -4,-0.1 -7,-0.2 -0.739 58.2 -10.1 87.9-124.2 4.9 -3.0 -13.1 38 38 A K S S- 0 0 94 -2,-0.5 42,-0.9 1,-0.2 -9,-0.3 -0.209 73.0-106.0 -97.9-168.9 4.8 -3.7 -9.4 39 39 A V - 0 0 0 40,-0.2 -1,-0.2 -2,-0.1 40,-0.2 -0.190 16.9-126.2-104.7-162.2 1.9 -4.1 -7.0 40 40 A V + 0 0 0 -13,-0.1 2,-1.5 -2,-0.1 -13,-0.2 -0.522 27.6 170.1-153.5 76.0 0.4 -1.9 -4.3 41 41 A E E +B 26 0B 24 -15,-0.9 -15,-0.6 -35,-0.1 -14,-0.1 -0.533 22.5 171.6 -90.1 68.3 0.1 -3.6 -1.0 42 42 A L E +B 25 0B 1 -2,-1.5 -36,-1.2 -17,-0.2 -35,-0.6 0.016 12.6 120.5 -66.7-179.3 -0.8 -0.5 1.0 43 43 A G E -B 24 0B 4 -19,-1.8 -19,-1.8 -38,-0.2 2,-0.3 -0.978 59.9 -36.3 159.6-146.8 -1.9 -0.7 4.6 44 44 A C E +B 23 0B 12 -2,-0.3 -21,-0.3 -21,-0.3 2,-0.3 -0.794 50.8 165.2-112.2 155.3 -0.8 0.7 8.0 45 45 A A E -B 22 0B 13 -23,-2.6 -23,-0.8 -2,-0.3 -24,-0.2 -0.935 45.8-119.8-167.8 144.9 2.7 1.3 9.3 46 46 A A S S- 0 0 46 -26,-0.3 2,-0.3 -2,-0.3 -25,-0.2 0.912 95.4 -21.8 -52.8 -47.0 4.4 3.1 12.1 47 47 A T S S- 0 0 84 -3,-0.1 -1,-0.2 -25,-0.1 -25,-0.1 -0.978 102.4 -44.6-160.6 162.5 6.3 5.1 9.6 48 48 A b - 0 0 83 -2,-0.3 11,-0.1 1,-0.2 -24,-0.1 -0.035 51.6-170.0 -34.8 97.7 7.5 5.1 6.0 49 49 A P + 0 0 33 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.506 29.1 153.4 -74.9 -4.6 8.7 1.4 6.0 50 50 A S - 0 0 54 8,-0.3 6,-0.2 6,-0.1 5,-0.1 0.177 29.5-158.0 -25.1 139.4 10.2 2.1 2.6 51 51 A K - 0 0 79 4,-2.5 5,-0.1 3,-0.1 -1,-0.0 0.602 20.5-114.8 -93.9-114.9 13.2 -0.2 2.1 52 52 A K S S+ 0 0 178 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.274 91.4 39.4-155.9 -52.6 16.0 0.7 -0.4 53 53 A P S S- 0 0 79 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.834 130.5 -32.1 -75.0-107.2 16.0 -1.8 -3.2 54 54 A Y S S+ 0 0 151 1,-0.1 2,-1.7 2,-0.1 -27,-0.1 0.932 106.6 100.4 -82.4 -53.1 12.6 -3.0 -4.5 55 55 A E - 0 0 54 1,-0.1 -4,-2.5 -5,-0.1 2,-1.3 0.006 56.9-178.2 -36.6 72.9 10.6 -2.8 -1.4 56 56 A E + 0 0 119 -2,-1.7 2,-0.2 -29,-1.3 -1,-0.1 -0.690 7.4 172.1 -87.1 90.6 9.2 0.5 -2.5 57 57 A V - 0 0 4 -2,-1.3 -31,-0.3 -31,-0.2 2,-0.1 -0.632 8.2-178.4 -98.4 158.0 7.0 1.5 0.4 58 58 A T - 0 0 51 -2,-0.2 -8,-0.3 -8,-0.1 2,-0.3 -0.252 18.5-112.9-127.6-145.6 5.2 4.9 0.8 59 59 A b - 0 0 36 -35,-0.3 -35,-0.4 -11,-0.1 2,-0.2 -0.928 18.6-177.0-153.2 172.0 3.0 6.5 3.4 60 60 A c B +C 23 0B 8 -37,-1.0 -37,-3.3 -2,-0.3 4,-0.1 -0.617 15.5 159.7-180.0 114.9 -0.5 7.8 3.8 61 61 A S + 0 0 77 -39,-0.2 -59,-0.2 -2,-0.2 3,-0.2 0.693 51.9 99.2-110.0 -34.5 -2.1 9.6 6.8 62 62 A T S > S- 0 0 93 1,-0.2 3,-1.3 3,-0.1 2,-0.9 0.050 97.2 -74.9 -49.3 165.1 -5.1 11.3 5.1 63 63 A D T 3 S- 0 0 142 1,-0.3 -1,-0.2 2,-0.1 -60,-0.1 -0.563 116.3 -15.6 -70.7 103.5 -8.4 9.6 5.3 64 64 A K T 3 S+ 0 0 115 -2,-0.9 -1,-0.3 -62,-0.6 -61,-0.1 0.950 86.5 152.2 65.3 51.0 -8.1 6.7 3.0 65 65 A c < + 0 0 23 -3,-1.3 -3,-0.1 -63,-0.4 -6,-0.1 -0.025 51.9 85.7 -99.4 27.3 -5.1 8.1 1.3 66 66 A N + 0 0 0 -6,-0.1 2,-2.6 -5,-0.1 -1,-0.2 0.219 49.8 121.6-108.8 9.6 -3.9 4.5 0.5 67 67 A P - 0 0 53 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.430 58.0-152.5 -74.9 69.4 -6.0 4.5 -2.7 68 68 A H > - 0 0 2 -2,-2.6 2,-0.9 1,-0.2 3,-0.7 0.114 32.0 -83.0 -37.8 158.0 -3.0 3.8 -4.9 69 69 A P T 3 S+ 0 0 84 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 -0.612 101.0 89.2 -75.0 104.6 -3.3 5.0 -8.5 70 70 A K T 3 + 0 0 10 -2,-0.9 2,-2.6 -3,-0.2 13,-0.4 0.268 43.7 106.5-161.0 -40.0 -5.2 2.3 -10.3 71 71 A Q < + 0 0 128 -3,-0.7 11,-0.1 11,-0.3 -1,-0.0 -0.296 64.5 98.7 -57.1 78.2 -8.9 3.1 -10.0 72 72 A R S S- 0 0 192 -2,-2.6 2,-0.8 9,-0.2 11,-0.1 -0.922 80.7-105.5-168.0 141.3 -9.1 4.2 -13.6 73 73 A P 0 0 101 0, 0.0 9,-0.1 0, 0.0 -2,-0.1 -0.615 360.0 360.0 -75.0 108.7 -10.2 2.8 -17.0 74 74 A G 0 0 94 -2,-0.8 8,-0.1 7,-0.2 -4,-0.0 0.265 360.0 360.0-173.5 360.0 -7.0 2.1 -18.9 75 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 1 B H 0 0 111 0, 0.0 2,-0.3 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 97.4 -7.4 -10.1 -9.5 77 2 B R - 0 0 42 7,-0.2 12,-0.2 6,-0.1 9,-0.1 -0.969 360.0-119.3-172.6 168.1 -4.9 -7.7 -8.0 78 3 B Y + 0 0 14 -2,-0.3 5,-0.1 -72,-0.2 -10,-0.1 -0.354 52.7 155.3-116.7 49.7 -4.3 -4.2 -6.9 79 4 B Y - 0 0 0 -40,-0.2 3,-0.3 1,-0.1 -40,-0.2 0.286 60.8 -90.4 -58.8-165.5 -1.4 -3.3 -9.2 80 5 B E S S+ 0 0 97 -42,-0.9 -1,-0.1 -44,-0.6 3,-0.1 -0.216 121.0 52.6-106.5 40.0 -0.6 0.3 -10.2 81 6 B S S S+ 0 0 25 1,-0.5 2,-0.3 -44,-0.0 -7,-0.2 0.296 117.7 5.5-148.7 -4.6 -2.8 0.2 -13.3 82 7 B S - 0 0 2 -3,-0.3 -1,-0.5 -13,-0.2 -11,-0.3 -0.967 41.3-154.9-173.1 166.9 -6.1 -0.9 -11.8 83 8 B L S S+ 0 0 19 -13,-0.4 -12,-0.1 -2,-0.3 -1,-0.1 0.515 72.4 88.3-125.8 -23.2 -8.0 -1.7 -8.6 84 9 B E S > >S- 0 0 100 -14,-0.2 3,-0.7 1,-0.1 5,-0.5 -0.579 80.6-126.2 -83.4 144.0 -10.6 -4.1 -10.0 85 10 B P T 3 5S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.106 111.2 53.9 -74.9 24.9 -9.9 -7.8 -10.3 86 11 B W T 3 5S+ 0 0 223 -9,-0.1 -4,-0.0 -10,-0.0 0, 0.0 0.576 117.3 29.4-124.6 -34.5 -11.0 -7.4 -13.9 87 12 B Y T < 5S+ 0 0 143 -3,-0.7 0, 0.0 -10,-0.1 0, 0.0 0.776 124.5 46.1 -96.7 -35.7 -8.7 -4.6 -15.0 88 13 B P T 5 0 0 5 0, 0.0 -52,-0.1 0, 0.0 -10,-0.1 0.855 360.0 360.0 -75.0 -37.5 -5.8 -5.3 -12.7 89 14 B D < 0 0 90 -5,-0.5 -12,-0.1 -12,-0.2 -6,-0.0 -0.549 360.0 360.0-175.0 360.0 -5.8 -9.0 -13.4