==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-MAY-06 2GX1 . COMPND 2 MOLECULE: NEUROTOXIN MAGI-5; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.K.SABO,G.CORZO,F.BOSMANS,B.BILLEN,E.VILLEGAS,J.TYTGAT, . 29 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 6.9 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 3.4 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 . 7 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 3.4 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 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 . 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 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 G 0 0 104 0, 0.0 13,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-111.6 -11.1 2.9 -4.1 2 2 A a - 0 0 78 13,-0.1 2,-0.2 1,-0.1 13,-0.2 -0.269 360.0-175.7 -59.8 145.0 -8.1 0.5 -4.6 3 3 A K B -a 15 0A 47 11,-1.1 13,-3.4 1,-0.2 14,-0.5 -0.768 21.7-116.5-134.7-179.3 -4.8 2.3 -5.5 4 4 A L - 0 0 79 -2,-0.2 3,-0.3 11,-0.2 -1,-0.2 0.322 55.9 -64.3 -95.0-135.3 -1.2 1.6 -6.4 5 5 A T S S+ 0 0 67 1,-0.2 21,-2.2 20,-0.1 2,-1.6 0.946 126.6 36.1 -85.2 -74.4 2.0 2.4 -4.5 6 6 A F S S+ 0 0 135 19,-0.2 2,-0.6 2,-0.1 -1,-0.2 0.004 89.1 121.2 -73.6 40.2 2.4 6.3 -4.2 7 7 A W S S- 0 0 132 -2,-1.6 19,-0.4 -3,-0.3 -4,-0.1 -0.904 81.4-102.8-105.9 118.0 -1.4 6.6 -3.9 8 8 A K - 0 0 150 -2,-0.6 2,-0.3 17,-0.2 17,-0.2 -0.084 56.0-178.0 -38.7 101.9 -2.5 8.4 -0.7 9 9 A b - 0 0 9 15,-0.6 3,-0.1 1,-0.1 -1,-0.1 -0.748 31.7-154.6-109.3 159.4 -3.6 5.3 1.3 10 10 A K S S+ 0 0 181 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.884 81.0 8.9 -94.5 -54.8 -5.2 5.0 4.7 11 11 A N S > S- 0 0 71 1,-0.0 3,-0.7 9,-0.0 4,-0.3 -0.633 79.5-107.9-117.7 176.8 -4.2 1.4 5.6 12 12 A K T 3 S+ 0 0 119 1,-0.2 7,-0.6 -2,-0.2 3,-0.4 0.664 112.3 62.0 -82.7 -14.3 -1.8 -1.1 3.9 13 13 A K T 3 S+ 0 0 164 1,-0.2 -1,-0.2 5,-0.1 5,-0.1 0.374 88.2 72.1 -92.4 8.1 -4.7 -3.4 2.7 14 14 A E S < S+ 0 0 30 -3,-0.7 -11,-1.1 5,-0.1 2,-0.3 0.700 76.5 88.1 -94.6 -18.5 -6.3 -0.6 0.5 15 15 A c B S-a 3 0A 5 -3,-0.4 -11,-0.2 -4,-0.3 4,-0.2 -0.577 78.4-133.8 -78.6 139.4 -3.6 -0.7 -2.3 16 16 A a S S+ 0 0 69 -13,-3.4 2,-1.0 -2,-0.3 -12,-0.2 0.977 98.9 58.6 -57.9 -54.1 -4.2 -3.2 -5.1 17 17 A G S S- 0 0 48 -14,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.654 110.9-108.9 -78.4 103.9 -0.6 -4.5 -5.0 18 18 A W + 0 0 217 -2,-1.0 2,-0.2 -5,-0.1 -5,-0.1 -0.005 68.5 144.8 -34.9 93.5 -0.3 -5.7 -1.4 19 19 A N - 0 0 27 -7,-0.6 2,-0.5 -4,-0.2 -4,-0.1 -0.510 51.1 -94.8-123.5-166.6 2.1 -2.9 -0.2 20 20 A A - 0 0 16 -2,-0.2 7,-2.7 -7,-0.1 2,-1.9 -0.952 16.9-142.7-121.6 123.3 2.6 -0.9 3.0 21 21 A b B +B 26 0B 32 -2,-0.5 5,-0.3 5,-0.3 3,-0.2 -0.564 56.3 131.1 -79.3 82.9 1.0 2.5 3.6 22 22 A A + 0 0 53 -2,-1.9 2,-2.5 3,-1.6 -1,-0.2 0.853 60.3 42.0-101.8 -70.6 4.1 3.9 5.4 23 23 A L S S- 0 0 113 2,-0.3 -1,-0.1 -3,-0.3 3,-0.1 -0.205 135.0 -72.2 -75.9 52.8 5.3 7.4 4.2 24 24 A G S S+ 0 0 31 -2,-2.5 -15,-0.6 -3,-0.2 2,-0.3 0.543 124.8 49.5 71.4 2.1 1.6 8.6 4.0 25 25 A I S S- 0 0 25 -17,-0.2 -3,-1.6 -5,-0.2 2,-0.6 -0.907 105.1 -71.7-153.7-178.6 1.3 6.2 0.9 26 26 A c B S+B 21 0B 0 -21,-2.2 -5,-0.3 -19,-0.4 -19,-0.1 -0.721 77.5 111.9 -85.9 122.7 2.0 2.6 -0.2 27 27 A M + 0 0 80 -7,-2.7 2,-2.1 -2,-0.6 -1,-0.1 0.282 58.4 52.9-149.6 -75.7 5.8 2.1 -0.5 28 28 A P 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.494 360.0 360.0 -76.5 78.7 7.9 -0.1 1.8 29 29 A R 0 0 213 -2,-2.1 -10,-0.1 -3,-0.1 -9,-0.1 -0.292 360.0 360.0 -57.5 360.0 5.7 -3.3 1.5