==== 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   2M6F                                                             .
COMPND    MOL_ID: 1; MOLECULE: CONTRYPHAN-IN; CHAIN: A; ENGINEERED: YES                                                        .
SOURCE    MOL_ID: 1; SYNTHETIC: YES; ORGANISM_SCIENTIFIC: CONUS INSCRIPTUS; ORGA                                               .
AUTHOR    R.SONTI                                                                                                              .
    8  1  1  1  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  1037.5   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
    3 37.5   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                              .
    0  0.0   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                              .
    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                              .
    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      .
  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    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  130      0, 0.0     2,-0.5     0, 0.0     0, 0.0   0.000 360.0 360.0 360.0 175.7    2.1    0.0   -1.2
    2    2 A a    >   -     0   0   55      3,-0.1     3,-1.1     2,-0.0     2,-0.2  -0.727 360.0-153.9-118.3  81.0    5.7    0.5   -2.1
    3    3 A V  T 3  S+     0   0  130     -2,-0.5     0, 0.0     1,-0.3     0, 0.0  -0.360  85.4   8.6 -56.2 119.2    6.2    4.2   -3.2
    4    4 A X  T 3  S+     0   0  160     -2,-0.2    -1,-0.3     0, 0.0     3,-0.1  -0.166 122.4  74.0 100.5 -37.1    9.2    4.3   -5.4
    5    5 A Y    X   +     0   0  136     -3,-1.1     3,-0.7     1,-0.1    -3,-0.1  -0.700  49.9 165.0-112.3  79.0    9.4    0.5   -5.5
    6    6 A P  T 3   +     0   0  113      0, 0.0    -1,-0.1     0, 0.0    -3,-0.1   0.545  68.8  76.1 -69.8  -6.3    6.5   -0.6   -7.8
    7    7 A W  T 3         0   0  197     -5,-0.1    -2,-0.0    -3,-0.1     0, 0.0  -0.043 360.0 360.0 -95.3  30.9    8.3   -4.0   -7.9
    8    8 A a    <         0   0  116     -3,-0.7    -1,-0.1    -6,-0.1     0, 0.0   0.869 360.0 360.0 -88.4 360.0    7.1   -4.9   -4.4
