==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 16-JUN-01 1JE9 . COMPND 2 MOLECULE: SHORT NEUROTOXIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA KAOUTHIA; . AUTHOR Y.CHENG,W.WANG,J.WANG . 61 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 49.2 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 . 19 31.1 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 . 1 1.6 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 1.6 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 . 4 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.2 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 1 0 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 63 0, 0.0 2,-1.2 0, 0.0 16,-1.1 0.000 360.0 360.0 360.0 142.1 3.3 13.6 -0.3 2 2 A E E +A 16 0A 107 14,-0.2 56,-0.8 12,-0.1 14,-0.2 -0.683 360.0 164.3 -93.8 83.9 -0.3 12.7 -1.2 3 3 A a E -A 15 0A 7 -2,-1.2 12,-1.5 12,-1.1 2,-0.3 -0.220 36.1 -99.0 -89.4-177.1 -0.2 8.9 -1.1 4 4 A H E +A 14 0A 17 10,-0.2 35,-0.3 20,-0.2 20,-0.2 -0.754 29.5 175.3-106.5 153.5 -3.0 6.4 -1.0 5 5 A N + 0 0 78 8,-0.5 2,-0.6 -2,-0.3 9,-0.1 -0.212 34.9 126.4-150.9 49.3 -4.5 4.6 2.0 6 6 A Q - 0 0 23 7,-0.2 2,-0.1 2,-0.1 7,-0.1 -0.943 43.9-150.5-117.7 114.5 -7.5 2.6 0.8 7 7 A Q > - 0 0 139 -2,-0.6 3,-1.0 4,-0.1 30,-0.2 -0.458 61.3 -3.4 -80.0 153.0 -7.7 -1.1 1.5 8 8 A S T 3 S- 0 0 46 28,-1.1 27,-0.1 1,-0.2 -2,-0.1 -0.103 112.5 -53.0 61.2-164.2 -9.5 -3.5 -0.8 9 9 A S T 3 S+ 0 0 124 3,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.032 97.1 128.8 -97.4 30.0 -11.3 -2.3 -3.9 10 10 A Q S < S- 0 0 148 -3,-1.0 -4,-0.1 1,-0.2 -2,-0.0 -0.028 76.6 -50.9 -74.0-176.8 -13.3 0.2 -1.8 11 11 A A - 0 0 76 1,-0.1 -1,-0.2 0, 0.0 -4,-0.1 -0.430 69.8-120.9 -61.4 110.9 -13.7 4.0 -2.6 12 12 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.169 33.0-167.3 -44.7 169.8 -10.1 5.3 -3.0 13 13 A T - 0 0 53 -7,-0.1 -8,-0.5 2,-0.0 2,-0.3 -0.981 12.3-143.4-159.2 163.9 -8.7 8.0 -0.8 14 14 A T E +A 4 0A 69 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.978 20.6 161.0-137.0 149.5 -5.9 10.5 -0.5 15 15 A K E -A 3 0A 136 -12,-1.5 -12,-1.1 -2,-0.3 2,-0.4 -0.982 30.8-116.7-160.0 163.0 -3.9 11.9 2.4 16 16 A T E -A 2 0A 84 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.861 21.7-145.5-110.6 143.5 -0.6 13.7 3.3 17 17 A b - 0 0 45 -16,-1.1 2,-0.6 -2,-0.4 -2,-0.0 -0.799 4.2-147.8-107.4 149.0 2.2 12.3 5.5 18 18 A S S S+ 0 0 130 -2,-0.3 3,-0.1 1,-0.0 2,-0.0 -0.709 83.4 4.9-116.3 79.3 4.5 14.3 7.8 19 19 A G S S+ 0 0 62 -2,-0.6 -2,-0.0 1,-0.6 -1,-0.0 -0.463 99.3 86.8 152.8 -74.2 7.9 12.5 7.8 20 20 A E - 0 0 110 1,-0.1 -1,-0.6 20,-0.1 -3,-0.1 -0.243 47.9-166.8 -59.0 145.4 8.2 9.6 5.4 21 21 A T S S+ 0 0 104 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.715 70.7 48.1-104.4 -31.1 9.3 10.5 1.9 22 22 A N - 0 0 49 33,-0.1 19,-0.7 -21,-0.0 33,-0.2 -0.870 66.2-164.0-115.1 147.5 8.5 7.2 0.1 23 23 A a E -BC 40 54B 2 31,-2.7 31,-2.5 -2,-0.3 2,-0.3 -0.353 6.3-151.7-112.0-166.9 5.3 5.1 0.3 24 24 A Y E -BC 39 53B 27 15,-1.1 15,-0.7 29,-0.3 2,-0.3 -0.936 10.1-142.0-157.8 179.6 4.5 1.5 -0.6 25 25 A K E -BC 38 52B 42 27,-1.1 27,-1.2 -2,-0.3 2,-0.3 -0.872 17.1-173.5-157.4 117.4 1.8 -0.9 -1.7 26 26 A K E +BC 37 51B 33 11,-2.6 11,-2.3 -2,-0.3 2,-0.3 -0.836 9.5 163.0-114.7 153.5 1.4 -4.5 -0.6 27 27 A W E +BC 36 50B 81 23,-2.2 23,-2.5 -2,-0.3 2,-0.3 -0.981 7.9 177.8-159.9 165.7 -1.0 -7.2 -1.8 28 28 A W E -B 35 0B 48 7,-1.7 7,-1.5 -2,-0.3 2,-0.4 -0.942 31.2-112.8-160.0 177.7 -1.6 -11.0 -1.8 29 29 A S E +B 34 0B 97 19,-0.4 5,-0.3 -2,-0.3 2,-0.1 -0.815 40.1 170.3-128.3 91.3 -4.0 -13.8 -2.9 30 30 A D E > -B 33 0B 46 3,-1.3 3,-0.7 -2,-0.4 -2,-0.0 -0.281 53.8 -88.8 -91.0 179.6 -5.7 -15.5 0.1 31 31 A H T 3 S+ 0 0 186 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.824 129.9 53.7 -58.0 -32.1 -8.5 -18.0 0.1 32 32 A R T 3 S- 0 0 209 1,-0.2 2,-0.3 3,-0.0 -1,-0.3 0.798 122.7-102.9 -73.3 -29.4 -11.0 -15.1 0.2 33 33 A G E < -B 30 0B 29 -3,-0.7 -3,-1.3 2,-0.0 2,-0.4 -0.968 61.9 -19.9 148.7-129.6 -9.3 -13.5 -2.9 34 34 A T E -B 29 0B 98 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.972 51.9-175.2-124.0 135.1 -6.9 -10.6 -3.3 35 35 A I E -B 28 0B 35 -7,-1.5 -7,-1.7 -2,-0.4 2,-0.4 -0.927 5.3-165.5-128.2 152.6 -6.2 -7.8 -0.9 36 36 A I E -B 27 0B 35 -2,-0.3 -28,-1.1 -9,-0.2 2,-0.3 -0.990 6.3-178.4-141.8 130.8 -4.0 -4.7 -1.1 37 37 A E E -B 26 0B 70 -11,-2.3 -11,-2.6 -2,-0.4 2,-0.2 -0.820 5.8-161.8-124.0 164.1 -2.8 -2.3 1.7 38 38 A R E +B 25 0B 23 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.731 13.4 157.4-133.8-177.3 -0.8 0.9 1.7 39 39 A G E -B 24 0B 18 -15,-0.7 -15,-1.1 -35,-0.3 2,-0.9 -0.824 46.4 -85.7 163.4 158.0 1.3 3.1 4.1 40 40 A b E S+B 23 0B 31 -2,-0.2 2,-0.3 -17,-0.2 -17,-0.2 -0.754 91.6 35.5 -89.1 106.7 4.0 5.7 4.4 41 41 A G S S- 0 0 12 -2,-0.9 13,-0.3 -19,-0.7 -2,-0.1 -0.993 82.5 -94.1 153.8-155.6 7.4 4.0 4.5 42 42 A c + 0 0 68 -2,-0.3 11,-0.1 11,-0.1 -19,-0.1 -0.280 51.4 154.9-160.2 63.2 9.2 0.9 3.1 43 43 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 10,-0.1 0.032 31.4-123.1 -79.9-168.2 9.0 -2.1 5.4 44 44 A K - 0 0 183 8,-0.0 2,-0.3 0, 0.0 8,-0.0 -0.705 15.6-153.4-130.3-178.2 9.3 -5.8 4.5 45 45 A V - 0 0 66 -2,-0.2 3,-0.1 4,-0.1 6,-0.1 -0.984 27.2 -91.9-156.3 161.9 7.3 -9.1 4.9 46 46 A K > - 0 0 170 -2,-0.3 3,-1.4 1,-0.2 0, 0.0 -0.524 64.0 -74.2 -79.7 144.2 7.7 -12.8 5.1 47 47 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.018 117.1 50.6 -37.9 125.6 7.5 -14.9 1.9 48 48 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 -3,-0.1 -19,-0.4 -0.023 92.1 79.8 131.3 -30.3 3.9 -15.1 0.6 49 49 A V < - 0 0 54 -3,-1.4 -1,-0.3 -21,-0.1 2,-0.2 -0.917 69.0-138.4-113.3 134.7 2.9 -11.5 0.6 50 50 A N E +C 27 0B 79 -23,-2.5 -23,-2.2 -2,-0.4 2,-0.3 -0.628 27.3 165.4 -91.2 149.2 3.9 -9.0 -2.1 51 51 A L E -C 26 0B 42 -25,-0.3 2,-0.3 -2,-0.2 -25,-0.2 -0.979 13.1-175.5-160.1 148.7 5.0 -5.4 -1.5 52 52 A N E -C 25 0B 69 -27,-1.2 -27,-1.1 -2,-0.3 2,-0.1 -0.918 14.4-144.8-155.3 125.0 6.7 -2.6 -3.3 53 53 A c E +C 24 0B 48 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.3 -0.448 21.7 178.9 -85.0 159.7 7.9 0.9 -2.2 54 54 A d E -C 23 0B 20 -31,-2.5 -31,-2.7 -13,-0.3 -13,-0.2 -0.990 32.9-145.7-160.2 156.4 7.7 4.0 -4.4 55 55 A R + 0 0 201 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.1 -0.238 67.1 100.6-119.4 41.4 8.5 7.7 -4.4 56 56 A T S > S- 0 0 92 -55,-0.0 3,-2.0 -33,-0.0 4,-0.3 -0.938 80.5 -93.2-128.8 151.3 5.7 9.0 -6.6 57 57 A D T 3 S- 0 0 91 -2,-0.3 -54,-0.2 1,-0.3 4,-0.1 -0.419 111.4 -4.2 -63.5 126.5 2.3 10.6 -5.9 58 58 A R T > S+ 0 0 149 -56,-0.8 3,-1.5 -2,-0.2 -1,-0.3 0.791 88.7 146.5 59.4 27.7 -0.4 8.0 -5.7 59 59 A d T < + 0 0 30 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.787 69.0 53.0 -64.0 -28.1 2.2 5.5 -6.6 60 60 A N T 3 0 0 0 -4,-0.3 -1,-0.3 1,-0.2 -34,-0.1 -0.036 360.0 360.0 -97.5 30.1 0.4 2.9 -4.5 61 61 A N < 0 0 117 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.1 0.291 360.0 360.0 -68.6 360.0 -2.9 3.6 -6.2