==== Secondary Structure Definition by the program DSSP, CMBI version by M.L. Hekkelman/2010-10-21 ==== DATE=2019-02-06        .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637                                                              .
HEADER    TOXIN                                   29-MAR-13   2M6H                                                             .
COMPND    MOL_ID: 1; MOLECULE: CONTRYPHAN-LO; CHAIN: A; SYNONYM: LO959; ENGINEER                                               .
SOURCE    MOL_ID: 1; SYNTHETIC: YES; ORGANISM_SCIENTIFIC: CONUS LOROISII; ORGANI                                               .
AUTHOR    R.SONTI                                                                                                              .
    8  1  1  1  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  1057.6   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
    4 50.0   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                              .
    2 25.0   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 12.5   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                              .
    1 12.5   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    2 25.0   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         .
  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      .
  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  108      0, 0.0     6,-0.1     0, 0.0     0, 0.0   0.000 360.0 360.0 360.0-148.1    2.1    0.0   -1.2
    2    2 A a  B >   -A    5   0A  56      3,-1.7     2,-0.6     1,-0.0     3,-0.5  -0.797 360.0 -94.5-112.8 155.0    2.4   -2.7   -3.9
    3    3 A P  T 3  S+     0   0  127      0, 0.0    -1,-0.0     0, 0.0     0, 0.0  -0.558 113.9   2.5 -69.8 109.7    3.2   -6.4   -3.5
    4    4 A X  T 3  S+     0   0  263     -2,-0.6     3,-0.1     4,-0.0     0, 0.0  -0.012 130.9  67.1 102.1 -25.9    6.9   -6.9   -4.1
    5    5 A D  B X   +A    2   0A  85     -3,-0.5    -3,-1.7     1,-0.1     3,-1.6  -0.685  50.8 164.7-129.5  78.8    7.2   -3.1   -4.5
    6    6 A P  T 3  S+     0   0   95      0, 0.0    -1,-0.1     0, 0.0     0, 0.0   0.571  82.5  53.5 -69.8  -8.6    6.5   -1.4   -1.1
    7    7 A W  T 3         0   0  235     -3,-0.1    -2,-0.0    -6,-0.1     0, 0.0   0.160 360.0 360.0-110.8  15.4    8.1    1.7   -2.5
    8    8 A a    <         0   0   89     -3,-1.6    -4,-0.0    -6,-0.1    -3,-0.0  -0.184 360.0 360.0 -64.5 360.0    5.9    1.9   -5.6
