==== 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                         01-SEP-14   2MTU                                                             .
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)                .
  1647.2   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                              .
    1  7.7   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                              .
    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            CHAIN AUTHCHAIN
    1    1 A G              0   0  124      0, 0.0     3,-0.3     0, 0.0     2,-0.1   0.000 360.0 360.0 360.0 -56.9   -0.9    1.6   -8.3                A         A
    2    2 A a        +     0   0   42      1,-0.2     6,-0.2     2,-0.1     8,-0.1  -0.322 360.0 114.2-106.7  49.2   -0.2   -0.5   -5.3                A         A
    3    3 A X  S    S+     0   0   37      1,-0.2     9,-1.8    -2,-0.1    -1,-0.2   0.875  77.9  45.3 -83.6 -42.8   -2.3    1.5   -2.8                A         A
    4    4 A S  S    S+     0   0   86     -3,-0.3    -1,-0.2     7,-0.1    -2,-0.1   0.634  95.9  93.8 -75.8 -13.8   -4.9   -1.2   -2.1                A         A
    5    5 A D    >   -     0   0   77      5,-0.2     3,-1.0     1,-0.1     7,-0.1  -0.711  59.2-164.7 -84.6 118.6   -2.0   -3.7   -1.7                A         A
    6    6 A P  T 3  S+     0   0   95      0, 0.0    -1,-0.1     0, 0.0     5,-0.1   0.688  88.2  64.2 -74.0 -17.8   -0.9   -4.1    2.0                A         A
    7    7 A R  T 3  S+     0   0  233      3,-0.0     2,-0.1    -3,-0.0     4,-0.1   0.609  85.6  95.4 -80.6 -12.2    2.3   -5.8    0.9                A         A
    8    8 A a  S <  S-     0   0   43     -3,-1.0    -5,-0.0    -6,-0.2     0, 0.0  -0.442  85.6-120.5 -78.8 153.8    3.4   -2.6   -0.9                A         A
    9    9 A R  S    S+     0   0  254      1,-0.1     2,-0.6    -2,-0.1    -1,-0.1   0.915 103.6  54.1 -59.0 -44.1    5.7   -0.1    0.9                A         A
   10   10 A Y  S    S-     0   0  162     -8,-0.1     2,-0.4    -5,-0.0    -5,-0.2  -0.841  74.2-169.5 -98.0 120.8    3.0    2.6    0.5                A         A
   11   11 A R        +     0   0  181     -2,-0.6     2,-0.2    -7,-0.1    -7,-0.1  -0.926   8.9 173.3-113.0 132.2   -0.4    1.7    1.9                A         A
   12   12 A X              0   0   29     -9,-1.8     0, 0.0    -2,-0.4     0, 0.0  -0.581 360.0 360.0-122.9-174.1   -3.5    3.9    1.3                A         A
   13   13 A R              0   0  285     -2,-0.2    -9,-0.1     0, 0.0    -2,-0.1  -0.373 360.0 360.0  57.9 360.0   -7.2    3.7    2.0                A         A
