==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT INHIBITOR 14-SEP-00 1FU3 . COMPND 2 MOLECULE: DELTA-CONOTOXIN TXVIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.KOHNO,T.SASAKI,M.FAINZILBER,K.SATO . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 18.5 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 3.7 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 . 4 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.4 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 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 . 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 W 0 0 258 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.6 8.2 -3.3 8.2 2 2 A a - 0 0 61 1,-0.0 2,-0.5 16,-0.0 14,-0.2 -0.520 360.0-119.8 -91.7 163.0 4.9 -1.5 7.5 3 3 A K B -a 16 0A 62 12,-1.6 14,-1.8 -2,-0.2 15,-0.2 -0.885 32.5-105.0-106.1 127.8 4.3 1.0 4.7 4 4 A Q > - 0 0 148 -2,-0.5 3,-2.4 1,-0.2 2,-1.2 -0.160 45.8-102.1 -44.9 131.5 3.3 4.6 5.6 5 5 A S T 3 S+ 0 0 54 1,-0.3 22,-0.2 11,-0.1 -1,-0.2 -0.402 116.5 35.1 -62.1 97.8 -0.4 4.8 4.7 6 6 A G T 3 S+ 0 0 42 -2,-1.2 -1,-0.3 1,-0.2 21,-0.1 0.325 92.8 110.7 136.3 0.1 0.1 6.7 1.4 7 7 A E S < S- 0 0 106 -3,-2.4 19,-2.1 1,-0.2 2,-0.4 -0.222 86.3 -57.3 -90.4-173.6 3.3 5.2 0.1 8 8 A M B S+B 25 0B 144 17,-0.2 17,-0.3 -3,-0.1 2,-0.2 -0.497 71.5 168.4 -67.2 118.8 3.8 2.9 -2.9 9 9 A b - 0 0 9 15,-1.1 2,-0.3 -2,-0.4 5,-0.1 -0.534 28.5-118.3-120.8-170.0 1.6 -0.2 -2.3 10 10 A N - 0 0 81 -2,-0.2 4,-0.4 1,-0.1 11,-0.2 -0.972 8.2-140.5-133.2 148.0 0.2 -3.2 -4.3 11 11 A L S S+ 0 0 124 -2,-0.3 -1,-0.1 12,-0.2 10,-0.1 0.676 107.8 21.4 -81.2 -14.5 -3.3 -4.3 -5.2 12 12 A L S S+ 0 0 158 -3,-0.0 -1,-0.1 1,-0.0 -2,-0.0 0.675 136.8 30.1-119.9 -36.8 -2.4 -7.9 -4.5 13 13 A D S S+ 0 0 118 -4,-0.0 -2,-0.1 2,-0.0 2,-0.1 -0.320 81.2 150.2-120.4 52.1 0.7 -7.8 -2.3 14 14 A Q - 0 0 55 -4,-0.4 -5,-0.1 -5,-0.1 -3,-0.0 -0.426 25.0-173.9 -80.7 159.9 0.1 -4.6 -0.3 15 15 A N + 0 0 89 -2,-0.1 -12,-1.6 5,-0.1 -1,-0.1 -0.212 14.3 170.4-148.0 49.9 1.4 -4.2 3.3 16 16 A c B -a 3 0A 14 -14,-0.2 -12,-0.2 1,-0.1 5,-0.1 -0.175 46.4-110.8 -60.3 159.7 0.1 -0.8 4.6 17 17 A a S S- 0 0 75 -14,-1.8 -1,-0.1 1,-0.2 -13,-0.1 0.950 95.6 -25.9 -60.7 -47.8 0.7 -0.2 8.3 18 18 A D S S+ 0 0 153 9,-0.4 -1,-0.2 -15,-0.2 2,-0.1 0.012 126.2 52.1-160.9 43.3 -3.0 -0.5 9.1 19 19 A G S S- 0 0 26 8,-0.1 2,-0.3 0, 0.0 -3,-0.1 -0.128 82.9 -84.4-143.3-116.8 -5.2 0.4 6.1 20 20 A Y - 0 0 171 7,-0.4 7,-1.8 -2,-0.1 2,-0.6 -0.987 28.6-105.2-160.6 166.7 -5.3 -0.9 2.5 21 21 A b E -C 26 0B 12 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.877 33.2-175.1-105.4 119.6 -3.7 -0.3 -0.9 22 22 A I E > -C 25 0B 80 3,-1.9 3,-2.1 -2,-0.6 2,-1.9 -0.930 65.0 -33.2-114.5 132.4 -5.9 1.5 -3.4 23 23 A V T 3 S- 0 0 110 -2,-0.5 -12,-0.2 1,-0.2 3,-0.1 -0.345 129.4 -32.2 60.7 -85.0 -4.7 2.0 -7.0 24 24 A L T 3 S+ 0 0 105 -2,-1.9 -15,-1.1 1,-0.1 2,-0.4 0.141 121.6 76.2-152.7 24.4 -1.0 2.3 -6.1 25 25 A V E < S-BC 8 22B 68 -3,-2.1 -3,-1.9 -17,-0.3 -17,-0.2 -0.973 71.2-124.2-144.7 130.6 -0.8 4.0 -2.7 26 26 A c E C 0 21B 3 -19,-2.1 -5,-0.2 -2,-0.4 -17,-0.1 -0.252 360.0 360.0 -65.0 157.7 -1.4 2.6 0.8 27 27 A T 0 0 100 -7,-1.8 -9,-0.4 -22,-0.2 -7,-0.4 -0.737 360.0 360.0-136.3 360.0 -4.0 4.4 3.0