==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 04-APR-08 2ROO . COMPND 2 MOLECULE: NEUROTOXIN MAGI-4; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.YAMAJI . 43 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.3 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 . 2 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 14.0 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+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 . 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 PARALLEL BRIDGES PER LADDER . 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 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 a 0 0 116 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 147.4 3.7 -9.1 -1.2 2 2 A G B -a 14 0A 6 11,-1.6 13,-3.3 4,-0.1 4,-0.2 -0.611 360.0-164.2 -78.0 129.9 4.0 -6.3 1.4 3 3 A S - 0 0 54 -2,-0.4 28,-0.3 1,-0.3 14,-0.1 -0.295 51.9 -36.0 -99.3-170.5 1.3 -6.5 4.0 4 4 A K S S+ 0 0 126 1,-0.2 -1,-0.3 -2,-0.1 28,-0.2 -0.216 138.8 11.5 -46.9 128.7 0.3 -3.7 6.5 5 5 A R S S+ 0 0 205 26,-2.5 -2,-0.2 1,-0.2 2,-0.2 0.982 104.9 114.1 62.1 79.4 3.6 -2.1 7.4 6 6 A A S S- 0 0 36 25,-0.3 25,-2.6 -4,-0.2 -1,-0.2 -0.772 70.4 -98.2-179.5 130.0 5.9 -3.7 4.7 7 7 A W B -B 30 0B 121 23,-0.2 2,-0.3 -2,-0.2 23,-0.2 -0.213 39.8-163.6 -53.3 138.5 7.8 -2.5 1.7 8 8 A b - 0 0 1 21,-1.3 21,-0.4 13,-0.2 6,-0.1 -0.849 21.9-140.2-122.2 160.7 6.1 -3.0 -1.7 9 9 A K S S- 0 0 146 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.901 79.3 -21.1 -85.8 -45.8 7.5 -3.0 -5.3 10 10 A E S > S- 0 0 131 19,-0.0 3,-0.6 1,-0.0 4,-0.3 -0.753 85.5 -70.5-145.2-167.3 4.6 -1.1 -6.9 11 11 A K G > S+ 0 0 115 1,-0.2 3,-0.6 -2,-0.2 9,-0.2 0.900 134.1 39.9 -62.7 -40.9 0.9 -0.3 -6.4 12 12 A K G 3 S+ 0 0 144 1,-0.2 -1,-0.2 7,-0.1 6,-0.1 0.490 97.5 81.6 -87.5 -3.1 -0.2 -3.9 -7.1 13 13 A D G < + 0 0 48 -3,-0.6 -11,-1.6 -12,-0.1 2,-0.3 0.551 70.0 96.5 -80.9 -3.6 2.8 -5.4 -5.1 14 14 A c B < S-a 2 0A 3 -3,-0.6 4,-0.2 -4,-0.3 -11,-0.2 -0.627 89.6 -95.7 -86.1 145.1 1.1 -4.9 -1.7 15 15 A a > - 0 0 11 -13,-3.3 3,-1.9 -2,-0.3 -1,-0.1 -0.030 61.1 -71.0 -51.4 161.7 -0.7 -7.9 -0.3 16 16 A d T 3 S+ 0 0 80 1,-0.3 -1,-0.1 27,-0.1 3,-0.1 -0.297 125.8 23.8 -58.3 137.6 -4.4 -8.1 -1.0 17 17 A G T 3 S+ 0 0 25 1,-0.2 2,-0.4 -3,-0.1 17,-0.3 0.535 109.7 95.3 84.4 4.3 -6.4 -5.5 1.0 18 18 A Y < - 0 0 78 -3,-1.9 15,-0.3 -4,-0.2 -1,-0.2 -0.979 59.3-152.4-131.0 141.5 -3.2 -3.3 1.2 19 19 A N E -C 32 0B 10 13,-3.3 13,-1.9 14,-0.5 2,-0.5 -0.637 23.5-112.1-104.4 166.9 -2.0 -0.4 -1.0 20 20 A b E -C 31 0B 23 -9,-0.2 2,-0.5 11,-0.2 11,-0.2 -0.855 28.3-168.8-102.8 130.7 1.6 0.7 -1.6 21 21 A V E -C 30 0B 37 9,-0.9 9,-2.0 -2,-0.5 2,-0.5 -0.960 19.8-131.9-119.0 128.5 2.7 4.1 -0.2 22 22 A Y E -C 29 0B 147 -2,-0.5 2,-1.0 7,-0.3 7,-0.3 -0.661 14.5-158.1 -79.3 123.8 6.0 5.7 -1.2 23 23 A A > + 0 0 2 5,-2.4 3,-2.0 -2,-0.5 4,-0.4 -0.592 21.6 167.1-101.6 74.2 7.9 6.9 1.9 24 24 A W G > S+ 0 0 176 -2,-1.0 3,-0.9 1,-0.3 -1,-0.2 0.887 75.0 66.8 -54.6 -36.1 10.2 9.6 0.5 25 25 A Y G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.832 128.0 8.7 -56.6 -26.1 11.0 10.7 4.1 26 26 A N G < S- 0 0 91 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.020 105.4-126.4-141.7 28.9 12.6 7.3 4.5 27 27 A Q S < S+ 0 0 119 -3,-0.9 -1,-0.2 -4,-0.4 -4,-0.1 0.060 73.1 81.3 48.9-171.0 12.7 5.9 0.9 28 28 A Q S S- 0 0 118 -6,-0.1 -5,-2.4 1,-0.1 2,-0.4 0.380 81.7-103.6 57.9 153.9 11.1 2.5 0.4 29 29 A S E - C 0 22B 21 -21,-0.4 -21,-1.3 -7,-0.3 2,-0.5 -0.938 27.4-151.8-114.7 132.8 7.3 2.1 0.1 30 30 A S E -BC 7 21B 48 -9,-2.0 -9,-0.9 -2,-0.4 -23,-0.2 -0.894 14.0-132.0-107.9 127.1 5.2 0.8 3.0 31 31 A c E - C 0 20B 1 -25,-2.6 -26,-2.5 -2,-0.5 -25,-0.3 -0.409 27.4-178.3 -71.7 148.9 1.9 -1.0 2.3 32 32 A E E - C 0 19B 68 -13,-1.9 -13,-3.3 -28,-0.2 -28,-0.1 -0.994 29.2 -98.6-147.0 149.6 -1.1 0.1 4.3 33 33 A R + 0 0 143 -2,-0.3 -14,-0.5 -15,-0.3 -1,-0.2 0.301 51.5 138.4 -51.9-165.2 -4.8 -1.2 4.5 34 34 A K + 0 0 78 -17,-0.3 -17,-0.1 -16,-0.1 -2,-0.1 0.357 6.7 158.4 121.4 106.6 -7.6 0.5 2.6 35 35 A W S > S+ 0 0 178 6,-0.1 3,-1.8 -16,-0.0 -18,-0.0 0.659 82.1 25.1-114.0 -74.0 -10.4 -1.3 0.7 36 36 A K T 3 S+ 0 0 191 1,-0.3 4,-0.1 5,-0.0 5,-0.0 0.840 117.9 64.4 -63.0 -31.2 -13.5 0.8 0.3 37 37 A Y T 3 S+ 0 0 175 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.315 97.7 71.6 -77.4 12.7 -11.3 3.9 0.5 38 38 A L S < S- 0 0 49 -3,-1.8 -4,-0.0 2,-0.2 -19,-0.0 -0.969 94.6 -97.5-131.0 145.9 -9.6 2.8 -2.7 39 39 A F S S- 0 0 190 -2,-0.4 2,-0.4 2,-0.1 -2,-0.1 -0.264 89.9 -34.9 -57.3 142.8 -10.8 2.8 -6.3 40 40 A T S S- 0 0 148 -4,-0.1 2,-0.4 1,-0.0 -2,-0.2 -0.118 83.9-163.8 42.6 -95.5 -12.1 -0.7 -7.4 41 41 A G + 0 0 30 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.1 -0.972 36.1 138.5 123.3-133.7 -9.6 -2.7 -5.4 42 42 A E 0 0 175 -2,-0.4 -1,-0.2 1,-0.0 -26,-0.0 0.791 360.0 360.0 54.4 112.1 -8.9 -6.4 -5.9 43 43 A d 0 0 75 -30,-0.0 -27,-0.1 -24,-0.0 -31,-0.1 -0.641 360.0 360.0 -93.5 360.0 -5.1 -7.0 -5.6