==== Secondary Structure Definition by the program DSSP, CMBI version 3.0                          ==== DATE=2017-09-12        .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637                                                              .
HEADER    DE NOVO PROTEIN                         31-AUG-14   2MTT                                                             .
COMPND    MOL_ID: 1; MOLECULE: DICARBA ANALOGUES OF ALPHA-CONOTOXIN RGIA; CHAIN:                                               .
SOURCE    MOL_ID: 1; SYNTHETIC: YES; ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; O                                               .
AUTHOR    S.CHHABRA,S.D.ROBINSON,R.S.NORTON                                                                                    .
   13  1  1  1  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
  1601.0   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
    3 23.1   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                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
    1  7.7   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
    1  7.7   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            CHAIN AUTHCHAIN
    1    1 A G     >        0   0   88      0, 0.0     4,-1.6     0, 0.0     7,-0.1   0.000 360.0 360.0 360.0 -42.9    2.3    4.2    5.3                A         A
    2    2 A a  T  4  +     0   0   57      1,-0.2     6,-0.5     2,-0.2     3,-0.2   0.936 360.0  60.7 -63.1 -45.4    0.2    1.3    4.0                A         A
    3    3 A X  T  4 S+     0   0   36      1,-0.3     9,-0.5     8,-0.1    -1,-0.2   0.896 105.2  47.9 -46.8 -48.8    0.4    2.6    0.5                A         A
    4    4 A S  T  4 S+     0   0   97      7,-0.1    -1,-0.3     8,-0.1    -2,-0.2   0.892  99.8  79.6 -61.9 -40.8    4.2    2.4    0.7                A         A
    5    5 A D  S >< S-     0   0   90     -4,-1.6     3,-1.3    -3,-0.2     0, 0.0  -0.504  75.0-145.5 -71.4 133.1    4.0   -1.2    2.0                A         A
    6    6 A P  T 3  S+     0   0  111      0, 0.0    -1,-0.1     0, 0.0    -4,-0.1   0.687  96.0  70.6 -71.2 -17.1    3.3   -3.8   -0.7                A         A
    7    7 A R  T 3  S+     0   0  232     -5,-0.1    -4,-0.1     2,-0.0    -5,-0.1   0.611  72.6 124.0 -74.8 -11.7    1.3   -5.8    1.8                A         A
    8    8 A a  S <  S-     0   0   17     -3,-1.3    -5,-0.0    -6,-0.5     4,-0.0  -0.120  72.5-124.2 -50.1 146.0   -1.4   -3.1    1.6                A         A
    9    9 A R  S    S+     0   0  236      1,-0.1     2,-0.3     2,-0.0    -1,-0.1   0.864  95.2  27.3 -61.5 -37.7   -4.8   -4.4    0.6                A         A
   10   10 A Y  S    S-     0   0  150      2,-0.0     2,-0.2     0, 0.0    -1,-0.1  -0.929  90.7-104.3-128.3 152.1   -4.9   -1.9   -2.3                A         A
   11   11 A R        -     0   0  205     -2,-0.3    -8,-0.1     1,-0.1    -7,-0.1  -0.477  16.5-159.5 -74.3 142.6   -2.2   -0.3   -4.4                A         A
   12   12 A X              0   0   58     -9,-0.5    -1,-0.1    -2,-0.2    -9,-0.1   0.340 360.0 360.0-101.9   4.3   -1.5    3.4   -3.8                A         A
   13   13 A R              0   0  222    -10,-0.1    -2,-0.1     0, 0.0     0, 0.0  -0.826 360.0 360.0-135.9 360.0    0.1    3.9   -7.2                A         A
