==== 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 TOXIN 05-JUN-02 1LXG . COMPND 2 MOLECULE: LONG NEUROTOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA KAOUTHIA; . AUTHOR H.ZENG,E.HAWROT . 89 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 31.5 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 . 7 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 13 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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+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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 126 0, 0.0 13,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 161.4 5.2 10.2 6.4 2 2 A R + 0 0 202 11,-0.5 12,-0.1 12,-0.2 61,-0.1 0.868 360.0 152.8 72.7 39.1 2.9 10.5 3.4 3 3 A a - 0 0 3 10,-0.3 60,-0.1 2,-0.1 3,-0.1 0.985 60.6 -86.0 -60.7 -81.1 5.1 8.5 1.1 4 4 A F S S+ 0 0 2 1,-0.4 59,-0.1 60,-0.1 64,-0.1 0.094 93.1 38.4-153.6 -85.2 2.5 7.1 -1.4 5 5 A I S S- 0 0 7 31,-0.1 -1,-0.4 1,-0.1 -2,-0.1 0.185 72.7-119.3 -68.4-167.2 0.6 3.8 -0.7 6 6 A T - 0 0 7 1,-0.2 30,-0.1 76,-0.1 76,-0.1 -0.936 15.9-113.7-137.9 159.5 -0.8 2.6 2.5 7 7 A P S S- 0 0 42 0, 0.0 -1,-0.2 0, 0.0 31,-0.1 0.986 91.7 -35.0 -55.2 -77.7 -0.4 -0.5 4.8 8 8 A D S S+ 0 0 82 1,-0.2 74,-0.6 2,-0.1 2,-0.1 0.741 129.6 38.2-113.9 -59.6 -3.8 -2.2 4.6 9 9 A I S S- 0 0 25 72,-0.2 -1,-0.2 1,-0.1 78,-0.1 -0.414 79.9-122.2 -89.8 169.5 -6.5 0.5 4.2 10 10 A T S S+ 0 0 8 75,-0.5 2,-2.3 76,-0.4 -1,-0.1 -0.173 81.1 56.8 -98.3-165.8 -6.2 3.7 2.2 11 11 A S S S+ 0 0 106 1,-0.2 -1,-0.1 75,-0.1 72,-0.0 -0.347 101.0 66.3 78.9 -58.9 -6.6 7.4 3.2 12 12 A K S S- 0 0 116 -2,-2.3 -1,-0.2 1,-0.0 0, 0.0 0.108 75.1-139.1 -77.0-164.0 -3.9 7.1 5.9 13 13 A D - 0 0 26 1,-0.3 -11,-0.5 -3,-0.1 -10,-0.3 -0.187 47.2 -90.7-158.5 52.6 -0.1 6.4 5.3 14 14 A b - 0 0 23 1,-0.1 -1,-0.3 -13,-0.1 -12,-0.2 0.310 40.2 -97.0 53.6 167.4 1.1 4.0 8.0 15 15 A P S S+ 0 0 126 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.886 110.7 50.5 -84.3 -43.6 2.5 5.2 11.4 16 16 A N + 0 0 97 25,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.849 57.7 159.8-102.1 104.5 6.2 5.0 10.5 17 17 A G + 0 0 8 -2,-0.8 3,-0.1 1,-0.1 -1,-0.1 -0.243 27.1 126.2-117.5 45.0 7.0 6.8 7.3 18 18 A H S S+ 0 0 150 1,-0.2 2,-0.4 23,-0.0 25,-0.2 0.991 79.3 14.6 -63.3 -63.3 10.7 7.5 7.6 19 19 A V B S-A 42 0A 4 23,-3.9 23,-2.9 -3,-0.1 2,-0.7 -0.930 73.1-133.8-118.7 141.0 11.8 6.0 4.3 20 20 A a E +B 57 0B 1 37,-1.5 37,-1.1 -2,-0.4 2,-0.4 -0.822 33.5 170.2 -94.8 113.3 9.7 5.0 1.3 21 21 A Y E -B 56 0B 42 -2,-0.7 2,-2.8 35,-0.3 35,-0.3 -0.971 37.9-135.3-132.1 124.3 10.6 1.6 0.1 22 22 A T + 0 0 29 33,-1.7 2,-0.5 -2,-0.4 33,-0.4 -0.418 40.8 176.1 -73.0 72.4 8.8 -0.5 -2.5 23 23 A K - 0 0 42 -2,-2.8 2,-0.4 15,-1.5 31,-0.3 -0.701 15.6-179.9 -85.9 126.8 9.0 -3.7 -0.4 24 24 A T B +C 53 0C 40 29,-0.6 29,-1.8 -2,-0.5 2,-0.9 -0.727 12.2 161.1-128.6 81.8 7.3 -6.8 -1.8 25 25 A W + 0 0 135 -2,-0.4 3,-0.2 27,-0.3 27,-0.1 -0.568 2.2 168.2-100.2 67.5 7.8 -9.7 0.6 26 26 A c > + 0 0 60 -2,-0.9 4,-2.0 1,-0.2 2,-0.9 0.677 15.9 177.6 -54.2 -14.1 5.0 -11.9 -0.6 27 27 A D T 4 - 0 0 106 1,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.204 66.1 -4.4 47.5 -89.8 6.8 -14.5 1.6 28 28 A A T 4 S- 0 0 62 -2,-0.9 -1,-0.1 -3,-0.2 -3,-0.0 -0.846 135.2 -34.4-138.6 100.5 4.3 -17.3 1.1 29 29 A F T 4 S- 0 0 214 -2,-0.4 -2,-0.1 0, 0.0 -3,-0.1 0.742 98.8-105.0 61.5 22.9 1.1 -16.7 -0.9 30 30 A c < - 0 0 59 -4,-2.0 -4,-0.1 3,-0.1 3,-0.1 0.133 32.3-106.9 49.4-174.5 1.2 -13.2 0.5 31 31 A S S S+ 0 0 105 1,-0.1 -5,-0.0 -4,-0.0 -4,-0.0 0.656 79.0 4.3-110.7 -90.4 -1.3 -12.2 3.3 32 32 A I S S- 0 0 70 1,-0.1 2,-1.0 0, 0.0 3,-0.1 0.195 112.5 -50.4 -81.6-154.5 -4.2 -9.9 2.5 33 33 A R S S- 0 0 104 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.1 0.021 82.8-127.9 -73.3 33.6 -5.3 -8.5 -0.9 34 34 A G - 0 0 21 -2,-1.0 2,-0.3 2,-0.1 -1,-0.2 0.146 24.1-111.9 46.8-171.1 -1.6 -7.4 -1.3 35 35 A K - 0 0 62 -3,-0.1 2,-3.3 46,-0.1 -27,-0.0 -0.860 40.9 -66.8-145.9 178.7 -0.8 -3.8 -2.2 36 36 A R S > S- 0 0 124 -2,-0.3 3,-0.8 1,-0.2 -31,-0.1 -0.324 102.7 -61.2 -70.9 63.8 0.6 -1.6 -5.1 37 37 A V T 3 S- 0 0 56 -2,-3.3 -1,-0.2 1,-0.2 -32,-0.1 0.890 79.8 -87.7 58.8 39.8 4.0 -3.2 -4.6 38 38 A D T 3 - 0 0 43 1,-0.2 -15,-1.5 -16,-0.2 -1,-0.2 0.775 51.9-158.5 22.6 58.3 4.1 -1.9 -1.1 39 39 A L < - 0 0 24 -3,-0.8 2,-0.3 -17,-0.3 -1,-0.2 0.736 48.2 -83.8 -30.9 -38.0 5.6 1.3 -2.5 40 40 A G + 0 0 4 -20,-0.2 -20,-0.2 -18,-0.2 -1,-0.1 -0.968 56.7 162.6 166.8-150.4 7.0 2.0 1.0 41 41 A b + 0 0 18 -22,-0.7 -25,-0.2 -2,-0.3 2,-0.2 0.890 64.4 75.1 94.0 63.1 6.3 3.5 4.4 42 42 A A B S-A 19 0A 18 -23,-2.9 -23,-3.9 1,-0.1 -1,-0.2 -0.809 81.7 -43.9-166.0-154.8 9.1 2.0 6.6 43 43 A A - 0 0 50 -2,-0.2 -1,-0.1 -25,-0.2 2,-0.1 -0.174 64.3 -81.7 -85.7-177.7 12.8 2.3 7.4 44 44 A T S S- 0 0 85 1,-0.2 -1,-0.2 12,-0.1 -23,-0.1 -0.367 71.6 -56.4 -82.6 165.0 15.8 2.6 5.1 45 45 A d + 0 0 53 1,-0.2 -1,-0.2 -2,-0.1 -24,-0.0 -0.151 63.1 166.2 -43.0 97.4 17.6 -0.2 3.3 46 46 A P S S- 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.508 74.4 -64.1 -95.8 -8.5 18.4 -2.5 6.3 47 47 A T S S+ 0 0 119 -3,-0.0 3,-0.1 0, 0.0 -2,-0.1 -0.310 84.3 149.4 156.5 -54.0 19.2 -5.5 4.2 48 48 A V + 0 0 14 1,-0.1 5,-0.1 5,-0.0 4,-0.0 0.234 31.5 87.4 27.4-148.8 16.0 -6.4 2.5 49 49 A K > + 0 0 100 3,-0.3 3,-1.2 2,-0.1 -1,-0.1 -0.264 37.9 107.9 67.4-154.8 16.3 -8.1 -0.9 50 50 A T T 3 S- 0 0 124 1,-0.3 2,-2.3 -3,-0.1 3,-0.1 0.923 113.0 -22.3 42.7 91.6 16.7 -11.8 -1.3 51 51 A G T 3 S+ 0 0 76 1,-0.1 2,-0.4 -25,-0.0 -1,-0.3 -0.367 120.0 98.1 80.2 -61.2 13.4 -12.9 -2.7 52 52 A V S < S- 0 0 12 -2,-2.3 2,-1.1 -3,-1.2 -3,-0.3 -0.450 73.8-139.8 -63.0 116.6 11.6 -9.8 -1.4 53 53 A D B +C 24 0C 124 -29,-1.8 -29,-0.6 -2,-0.4 2,-0.4 -0.686 39.1 159.5 -83.4 99.1 11.4 -7.3 -4.3 54 54 A I - 0 0 17 -2,-1.1 2,-0.4 -31,-0.3 -31,-0.3 -0.969 32.3-168.6-128.1 142.4 12.1 -4.0 -2.7 55 55 A Q - 0 0 118 -33,-0.4 -33,-1.7 -2,-0.4 -32,-0.1 -0.785 21.6-160.7-126.7 83.6 13.2 -0.6 -4.0 56 56 A d E +B 21 0B 25 -2,-0.4 2,-0.3 -35,-0.3 -35,-0.3 -0.312 19.4 159.2 -67.0 148.1 14.2 1.5 -1.0 57 57 A e E -B 20 0B 28 -37,-1.1 -37,-1.5 -2,-0.0 2,-1.4 -0.903 46.7-126.4-170.0 140.0 14.4 5.3 -1.3 58 58 A S - 0 0 84 -2,-0.3 -37,-0.1 1,-0.2 -39,-0.1 -0.371 66.1 -95.0 -87.7 56.5 14.2 8.4 0.9 59 59 A T S S+ 0 0 66 -2,-1.4 -1,-0.2 -39,-0.3 -56,-0.0 -0.268 78.1 129.0 65.1-153.6 11.4 10.0 -1.2 60 60 A D S S- 0 0 156 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.998 101.4 -5.1 66.5 67.8 12.4 12.4 -3.9 61 61 A N S S+ 0 0 128 -4,-0.1 -1,-0.1 -3,-0.0 -2,-0.1 0.750 105.3 111.3 88.2 30.1 10.5 11.0 -6.9 62 62 A e S S+ 0 0 17 -59,-0.1 -59,-0.0 3,-0.0 -58,-0.0 0.781 93.7 11.1 -98.8 -38.0 9.2 7.9 -5.0 63 63 A N S S+ 0 0 52 -60,-0.1 2,-0.4 -59,-0.1 -60,-0.0 0.682 86.8 120.5-113.3 -29.6 5.6 8.8 -4.9 64 64 A P + 0 0 72 0, 0.0 -60,-0.1 0, 0.0 -61,-0.0 -0.145 48.3 126.0 -43.9 95.0 5.1 11.8 -7.2 65 65 A F S S- 0 0 147 -2,-0.4 3,-0.1 1,-0.2 -3,-0.0 -0.971 70.1-106.1-151.7 163.2 2.6 10.2 -9.6 66 66 A P S S- 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.986 85.2 -37.2 -54.8 -73.2 -0.9 10.8 -11.1 67 67 A T - 0 0 85 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.962 40.0-127.0-152.3 166.6 -2.9 8.3 -9.2 68 68 A R S S+ 0 0 84 -2,-0.3 -1,-0.1 -3,-0.1 15,-0.1 0.943 90.8 56.5 -82.1 -54.9 -2.8 4.8 -7.7 69 69 A K - 0 0 100 13,-0.0 -2,-0.1 14,-0.0 15,-0.0 -0.169 62.2-167.4 -72.6 170.7 -5.9 3.2 -9.3 70 70 A R 0 0 216 1,-0.1 -1,-0.0 0, 0.0 0, 0.0 -0.529 360.0 360.0-164.8 88.8 -6.6 3.1 -13.0 71 71 A P 0 0 195 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.812 360.0 360.0 -51.1 360.0 -10.0 2.2 -14.4 72 !* 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 73 181 B Y 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.9 -27.2 -7.4 1.5 74 182 B R + 0 0 223 4,-0.0 3,-0.1 0, 0.0 0, 0.0 0.019 360.0 13.7-155.0 -89.9 -26.1 -5.1 -1.3 75 183 B G S S+ 0 0 77 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.142 107.7 85.5 -90.5 20.8 -24.5 -1.7 -0.9 76 184 B W S S+ 0 0 203 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.962 84.7 44.5 -82.8 -64.3 -23.8 -2.4 2.8 77 185 B K + 0 0 136 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.600 65.5 167.4 -85.3 143.9 -20.4 -4.2 2.7 78 186 B H - 0 0 109 10,-0.3 2,-0.9 -2,-0.3 -3,-0.0 -0.894 30.3-139.3-160.0 125.2 -17.6 -3.1 0.5 79 187 B W + 0 0 185 -2,-0.3 9,-0.1 1,-0.2 8,-0.1 -0.763 28.2 171.9 -90.0 105.7 -13.9 -4.0 0.3 80 188 B V + 0 0 8 -2,-0.9 3,-0.2 6,-0.2 -1,-0.2 0.893 18.1 133.3 -76.6 -97.9 -11.9 -0.8 -0.3 81 189 B Y + 0 0 10 5,-0.5 2,-2.5 1,-0.2 -72,-0.2 0.358 59.7 42.8 60.4 158.1 -8.1 -1.2 0.0 82 190 B Y S S- 0 0 68 -74,-0.6 -1,-0.2 -48,-0.2 2,-0.2 -0.422 126.6 -36.4 74.3 -69.9 -5.7 0.1 -2.5 83 191 B T S S+ 0 0 19 -2,-2.5 -1,-0.0 -3,-0.2 -14,-0.0 -0.528 103.2 76.3 171.4 118.4 -7.4 3.5 -2.9 84 192 B C S S+ 0 0 90 1,-0.5 -2,-0.1 -2,-0.2 -4,-0.0 0.068 92.4 8.2 169.5 -40.9 -11.0 4.7 -2.9 85 193 B C S S- 0 0 42 1,-0.2 -75,-0.5 -4,-0.1 -1,-0.5 -0.853 74.5 -86.8-150.8-176.3 -12.3 4.8 0.6 86 194 B P S S+ 0 0 68 0, 0.0 -5,-0.5 0, 0.0 -76,-0.4 0.266 84.4 7.6 -83.8-150.4 -11.4 4.4 4.3 87 195 B D - 0 0 95 -78,-0.1 -7,-0.2 -7,-0.1 -76,-0.0 0.129 60.5-155.9 -29.8 132.8 -11.2 1.3 6.6 88 196 B T + 0 0 7 -9,-0.1 -10,-0.3 -8,-0.1 -1,-0.1 0.966 65.7 13.5 -82.0 -74.5 -11.6 -1.9 4.6 89 197 B P 0 0 71 0, 0.0 -9,-0.0 0, 0.0 -80,-0.0 -0.036 360.0 360.0 -88.7-163.9 -12.9 -4.6 7.1 90 198 B Y 0 0 277 -3,-0.0 0, 0.0 -2,-0.0 0, 0.0 -0.844 360.0 360.0-153.9 360.0 -14.3 -4.4 10.6