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      "suiteness": 0.000,
      "filter_rmsd": 0.058,
      "frame": {
        "rmsd": 0.035,
        "origin": [
          32.765,
          30.347,
          24.087
        ],
        "x_axis": [
          0.939,
          -0.288,
          -0.188
        ],
        "y_axis": [
          -0.113,
          0.259,
          -0.959
        ],
        "z_axis": [
          0.326,
          0.922,
          0.211
        ],
        "quaternion": [
          0.776,
          -0.606,
          0.166,
          -0.057
        ]
      }
    },
    {
      "index": 22,
      "index_chain": 22,
      "chain_name": "X",
      "nt_resnum": 22,
      "nt_name": "DG",
      "nt_code": "G",
      "nt_id": "///X/22",
      "linked_nts": [
        "///X/21",
        "///X/23"
      ],
      "nt_type": "DNA",
      "dbn": ".",
      "summary": "anti,~C2'-endo,BI,non-pair-contact,ss-non-loop",
      "alpha": -80.375,
      "beta": 145.801,
      "gamma": 49.132,
      "delta": 140.322,
      "epsilon": 175.704,
      "zeta": -90.682,
      "epsilon_zeta": -93.615,
      "bb_type": "BI",
      "chi": -105.915,
      "glyco_bond": "anti",
      "C5prime_xyz": [
        -2.245,
        8.298,
        -1.768
      ],
      "P_xyz": [
        0.375,
        8.721,
        -1.846
      ],
      "form": "B",
      "ssZp": 2.250,
      "Dp": 2.095,
      "splay_angle": 18.853,
      "splay_distance": 3.332,
      "splay_ratio": 0.169,
      "d22": null,
      "d64": null,
      "eta": 158.078,
      "theta": -119.456,
      "eta_prime": -174.108,
      "theta_prime": -149.675,
      "eta_base": -135.502,
      "theta_base": -103.699,
      "v0": -17.937,
      "v1": 32.326,
      "v2": -32.871,
      "v3": 23.746,
      "v4": -3.979,
      "amplitude": 33.677,
      "phase_angle": 167.440,
      "puckering": "C2'-endo",
      "sugar_class": "~C2'-endo",
      "bin": "22p",
      "cluster": "4b",
      "suiteness": 0.532,
      "filter_rmsd": 0.024,
      "frame": {
        "rmsd": 0.024,
        "origin": [
          32.215,
          33.816,
          24.963
        ],
        "x_axis": [
          0.759,
          0.072,
          -0.647
        ],
        "y_axis": [
          -0.618,
          0.389,
          -0.683
        ],
        "z_axis": [
          0.202,
          0.919,
          0.340
        ],
        "quaternion": [
          0.789,
          -0.508,
          0.269,
          0.219
        ]
      }
    },
    {
      "index": 23,
      "index_chain": 23,
      "chain_name": "X",
      "nt_resnum": 23,
      "nt_name": "DC",
      "nt_code": "C",
      "nt_id": "///X/23",
      "linked_nts": [
        "///X/22",
        null
      ],
      "nt_type": "DNA",
      "dbn": ".",
      "summary": "anti,~C2'-endo,non-pair-contact,ss-non-loop",
      "alpha": -66.544,
      "beta": 177.211,
      "gamma": 55.866,
      "delta": 128.416,
      "epsilon": null,
      "zeta": null,
      "epsilon_zeta": null,
      "bb_type": "--",
      "chi": -111.672,
      "glyco_bond": "anti",
      "C5prime_xyz": [
        -2.847,
        8.410,
        -1.915
      ],
      "P_xyz": [
        -0.768,
        10.026,
        -2.144
      ],
      "form": "-",
      "ssZp": null,
      "Dp": null,
      "splay_angle": null,
      "splay_distance": null,
      "splay_ratio": null,
      "d22": null,
      "d64": null,
      "eta": null,
      "theta": null,
      "eta_prime": null,
      "theta_prime": null,
      "eta_base": null,
      "theta_base": null,
      "v0": -34.415,
      "v1": 38.106,
      "v2": -26.949,
      "v3": 8.142,
      "v4": 16.326,
      "amplitude": 37.601,
      "phase_angle": 135.783,
      "puckering": "C1'-exo",
      "sugar_class": "~C2'-endo",
      "bin": "22p",
      "cluster": "!!",
      "suiteness": 0.000,
      "filter_rmsd": 0.055,
      "frame": {
        "rmsd": 0.016,
        "origin": [
          34.034,
          36.599,
          25.176
        ],
        "x_axis": [
          0.229,
          0.303,
          -0.925
        ],
        "y_axis": [
          -0.916,
          0.389,
          -0.100
        ],
        "z_axis": [
          0.329,
          0.870,
          0.367
        ],
        "quaternion": [
          0.704,
          -0.344,
          0.445,
          0.433
        ]
      }
    }
  ],
  "num_hbonds": 27,
  "hbonds": [
    {
      "index": 1,
      "atom1_serNum": 37,
      "atom2_serNum": 67,
      "donAcc_type": "questionable",
      "distance": 3.309,
      "atom1_id": "///X/2/O4'",
      "atom2_id": "///X/3/O4'",
      "atom_pair": "O:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 2,
      "atom1_serNum": 106,
      "atom2_serNum": 564,
      "donAcc_type": "standard",
      "distance": 2.924,
      "atom1_id": "///X/4/N7",
      "atom2_id": "///X/18/N2",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 3,
      "atom1_serNum": 109,
      "atom2_serNum": 562,
      "donAcc_type": "standard",
      "distance": 2.854,
      "atom1_id": "///X/4/O6",
      "atom2_id": "///X/18/N1",
      "atom_pair": "O:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 4,
      "atom1_serNum": 110,
      "atom2_serNum": 238,
      "donAcc_type": "standard",
      "distance": 2.857,
      "atom1_id": "///X/4/N1",
      "atom2_id": "///X/8/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 5,
      "atom1_serNum": 112,
      "atom2_serNum": 235,
      "donAcc_type": "standard",
      "distance": 3.023,
      "atom1_id": "///X/4/N2",
      "atom2_id": "///X/8/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 6,
      "atom1_serNum": 139,
      "atom2_serNum": 597,
      "donAcc_type": "standard",
      "distance": 2.952,
      "atom1_id": "///X/5/N7",
      "atom2_id": "///X/19/N2",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 7,
      "atom1_serNum": 142,
      "atom2_serNum": 595,
      "donAcc_type": "standard",
      "distance": 2.840,
      "atom1_id": "///X/5/O6",
      "atom2_id": "///X/19/N1",
      "atom_pair": "O:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 8,
      "atom1_serNum": 143,
      "atom2_serNum": 271,
      "donAcc_type": "standard",
      "distance": 2.847,
      "atom1_id": "///X/5/N1",
      "atom2_id": "///X/9/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 9,
      "atom1_serNum": 145,
      "atom2_serNum": 268,
      "donAcc_type": "standard",
      "distance": 2.972,
      "atom1_id": "///X/5/N2",
      "atom2_id": "///X/9/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 10,
      "atom1_serNum": 172,
      "atom2_serNum": 630,
      "donAcc_type": "standard",
      "distance": 3.006,
      "atom1_id": "///X/6/N7",
      "atom2_id": "///X/20/N2",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 11,
      "atom1_serNum": 175,
      "atom2_serNum": 628,
      "donAcc_type": "standard",
      "distance": 2.838,
      "atom1_id": "///X/6/O6",
      "atom2_id": "///X/20/N1",
      "atom_pair": "O:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 12,
      "atom1_serNum": 176,
      "atom2_serNum": 304,
      "donAcc_type": "standard",
      "distance": 2.851,
      "atom1_id": "///X/6/N1",
      "atom2_id": "///X/10/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 13,
      "atom1_serNum": 178,
      "atom2_serNum": 301,
      "donAcc_type": "standard",
      "distance": 2.928,
      "atom1_id": "///X/6/N2",
      "atom2_id": "///X/10/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 14,
      "atom1_serNum": 239,
      "atom2_serNum": 432,
      "donAcc_type": "standard",
      "distance": 2.852,
      "atom1_id": "///X/8/N1",
      "atom2_id": "///X/14/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 15,
      "atom1_serNum": 241,
      "atom2_serNum": 429,
      "donAcc_type": "standard",
      "distance": 3.009,
      "atom1_id": "///X/8/N2",
      "atom2_id": "///X/14/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 16,
      "atom1_serNum": 272,
      "atom2_serNum": 465,
      "donAcc_type": "standard",
      "distance": 2.883,
      "atom1_id": "///X/9/N1",
      "atom2_id": "///X/15/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 17,
      "atom1_serNum": 274,
      "atom2_serNum": 462,
      "donAcc_type": "standard",
      "distance": 2.901,
      "atom1_id": "///X/9/N2",
      "atom2_id": "///X/15/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 18,
      "atom1_serNum": 305,
      "atom2_serNum": 498,
      "donAcc_type": "standard",
      "distance": 2.850,
      "atom1_id": "///X/10/N1",
      "atom2_id": "///X/16/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 19,
      "atom1_serNum": 307,
      "atom2_serNum": 495,
      "donAcc_type": "standard",
      "distance": 3.006,
      "atom1_id": "///X/10/N2",
      "atom2_id": "///X/16/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 20,
      "atom1_serNum": 422,
      "atom2_serNum": 762,
      "donAcc_type": "questionable",
      "distance": 3.233,
      "atom1_id": "///X/14/O4'",
      "atom2_id": "///X/101/O4",
      "atom_pair": "O:O",
      "residue_pair": "nt:ligand"
    },
    {
      "index": 21,
      "atom1_serNum": 433,
      "atom2_serNum": 561,
      "donAcc_type": "standard",
      "distance": 2.873,
      "atom1_id": "///X/14/N1",
      "atom2_id": "///X/18/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 22,
      "atom1_serNum": 435,
      "atom2_serNum": 558,
      "donAcc_type": "standard",
      "distance": 2.982,
      "atom1_id": "///X/14/N2",
      "atom2_id": "///X/18/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 23,
      "atom1_serNum": 466,
      "atom2_serNum": 594,
      "donAcc_type": "standard",
      "distance": 2.911,
      "atom1_id": "///X/15/N1",
      "atom2_id": "///X/19/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 24,
      "atom1_serNum": 468,
      "atom2_serNum": 591,
      "donAcc_type": "standard",
      "distance": 2.907,
      "atom1_id": "///X/15/N2",
      "atom2_id": "///X/19/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 25,
      "atom1_serNum": 499,
      "atom2_serNum": 627,
      "donAcc_type": "standard",
      "distance": 2.842,
      "atom1_id": "///X/16/N1",
      "atom2_id": "///X/20/O6",
      "atom_pair": "N:O",
      "residue_pair": "nt:nt"
    },
    {
      "index": 26,
      "atom1_serNum": 501,
      "atom2_serNum": 624,
      "donAcc_type": "standard",
      "distance": 2.959,
      "atom1_id": "///X/16/N2",
      "atom2_id": "///X/20/N7",
      "atom_pair": "N:N",
      "residue_pair": "nt:nt"
    },
    {
      "index": 27,
      "atom1_serNum": 695,
      "atom2_serNum": 804,
      "donAcc_type": "standard",
      "distance": 3.132,
      "atom1_id": "///X/22/N2",
      "atom2_id": "///X/102/O3",
      "atom_pair": "N:O",
      "residue_pair": "nt:ligand"
    }
  ],
  "refCoords": {
    "purine": [
      "   12 ATOMS,    12 BONDS",
      "    1 N      -2.2500   5.0000   0.4000",
      "    2 N      -2.2500  -0.5000   0.4000",
      "    3 N      -2.2500  -0.5000  -0.4000",
      "    4 N      -2.2500   5.0000  -0.4000",
      "    5 C       1.2500   5.0000   0.4000",
      "    6 C       1.2500  -0.5000   0.4000",
      "    7 C       1.2500  -0.5000  -0.4000",
      "    8 C       1.2500   5.0000  -0.4000",
      "    9 C      -2.2500   5.0000   0.4000",
      "   10 C      -2.2500  -0.5000   0.4000",
      "   11 C      -2.2500  -0.5000  -0.4000",
      "   12 C      -2.2500   5.0000  -0.4000",
      "    1     1     2",
      "    2     2     3",
      "    3     3     4",
      "    4     4     1",
      "    5     5     6",
      "    6     6     7",
      "    7     7     8",
      "    8     5     8",
      "    9     9     5",
      "   10    10     6",
      "   11    11     7",
      "   12    12     8"
    ],
    "pyrimidine": [
      "   12 ATOMS,    12 BONDS",
      "    1 N      -2.2500   5.0000   0.4000",
      "    2 N      -2.2500   1.0000   0.4000",
      "    3 N      -2.2500   1.0000  -0.4000",
      "    4 N      -2.2500   5.0000  -0.4000",
      "    5 C       1.2500   5.0000   0.4000",
      "    6 C       1.2500   1.0000   0.4000",
      "    7 C       1.2500   1.0000  -0.4000",
      "    8 C       1.2500   5.0000  -0.4000",
      "    9 C      -2.2500   5.0000   0.4000",
      "   10 C      -2.2500   1.0000   0.4000",
      "   11 C      -2.2500   1.0000  -0.4000",
      "   12 C      -2.2500   5.0000  -0.4000",
      "    1     1     2",
      "    2     2     3",
      "    3     3     4",
      "    4     4     1",
      "    5     5     6",
      "    6     6     7",
      "    7     7     8",
      "    8     5     8",
      "    9     9     5",
      "   10    10     6",
      "   11    11     7",
      "   12    12     8"
    ],
    "wc_pair": [
      "   12 ATOMS,    12 BONDS",
      "    1 N      -2.2500   5.0000   0.4000",
      "    2 N      -2.2500  -5.0000   0.4000",
      "    3 N      -2.2500  -5.0000  -0.4000",
      "    4 N      -2.2500   5.0000  -0.4000",
      "    5 C       2.2500   5.0000   0.4000",
      "    6 C       2.2500  -5.0000   0.4000",
      "    7 C       2.2500  -5.0000  -0.4000",
      "    8 C       2.2500   5.0000  -0.4000",
      "    9 C      -2.2500   5.0000   0.4000",
      "   10 C      -2.2500  -5.0000   0.4000",
      "   11 C      -2.2500  -5.0000  -0.4000",
      "   12 C      -2.2500   5.0000  -0.4000",
      "    1     1     2",
      "    2     2     3",
      "    3     3     4",
      "    4     4     1",
      "    5     5     6",
      "    6     6     7",
      "    7     7     8",
      "    8     5     8",
      "    9     9     5",
      "   10    10     6",
      "   11    11     7",
      "   12    12     8"
    ]
  },
  "metadata": {
    "license": "http://innovation.columbia.edu/technologies/CU20391",
    "url": "http://x3dna.org/",
    "url_alt": "http://home.x3dna.org/",
    "forum": "http://forum.x3dna.org/",
    "citation": "Lu et al. (2015). 'DSSR: an integrated software tool for dissecting the spatial structure of RNA.' Nucleic Acids Res., 43(21):e142 [doi:10.1093/nar/gkv716].",
    "str_id": "8zw3",
    "num_naChains": 1,
    "naChains": "X=23",
    "num_atoms": 824,
    "num_waters": 0,
    "num_notes": 52,
    "notes": [
      {
        "Aminors": "A-minor interactions (including types I and II)"
      },
      {
        "Cstem_index": "stem index of the 'Canonical' helix in k-turn"
      },
      {
        "Cstem_pair": "Cstem bp delineating the k-turn internal loop"
      },
      {
        "Dp": "perpendicular distance of the 3' P atom to the glycosidic bond"
      },
      {
        "GA_pair": "sheared G-A pair in k-turn"
      },
      {
        "HtypePknot": "H-type pseudoknot"
      },
      {
        "Kturn": "kink-turn (k-turn)"
      },
      {
        "LW": "Leontis-Westhof"
      },
      {
        "NCstem_index": "stem index of the 'Non-Canonical' helix in k-turn"
      },
      {
        "NCstem_pair": "NCstem bp delineating the k-turn internal loop"
      },
      {
        "Uturn": "U-turn of the UNR- or GNRA-type"
      },
      {
        "aa": "amino acid"
      },
      {
        "atom_pair": "symbols of the two atoms involved in an H-bond"
      },
      {
        "auxfiles": "auxiliary files"
      },
      {
        "glyco_bond": "conformation of base related to sugar (syn or anti)"
      },
      {
        "bb_type": "backbone conformation, BI or BII"
      },
      {
        "bending_angle": "angle between two helical axes"
      },
      {
        "bp": "base pair"
      },
      {
        "bseq": "base sequence in one-letter code"
      },
      {
        "bulge": "bulge loop"
      },
      {
        "coaxStacks": "coaxial stacking of stems within a helix"
      },
      {
        "dbn": "dot bracket notation"
      },
      {
        "desc": "description"
      },
      {
        "donAcc_type": "donor/acceptor type of the atom pair in an H-bond"
      },
      {
        "epsilon_zeta": "difference between epsilon and zeta torsion angles"
      },
      {
        "hairpin": "hairpin loop"
      },
      {
        "hbond": "hydrogen bond (H-bond)"
      },
      {
        "helix": "defined by base-stacking interactions, regardless of bp type and backbone connectivity"
      },
      {
        "id": "identifier"
      },
      {
        "iloop": "internal loop"
      },
      {
        "index": "serial number"
      },
      {
        "isoCanonPairs": "isolated canonical pairs"
      },
      {
        "junction": "(multi-branched) junction loop"
      },
      {
        "kissingLoop": "kissing loop"
      },
      {
        "multiplet": "3+ bases in a coplanar geometry"
      },
      {
        "na": "nucleic acid"
      },
      {
        "nonPair": "two nts not forming a pair, but with H-bonding/stacking interactions"
      },
      {
        "nonStack": "nucleotide not involved in stacking interactions"
      },
      {
        "nt": "nucleotide"
      },
      {
        "num": "number"
      },
      {
        "oArea": "overlap areas between two bases, including exocyclic atoms"
      },
      {
        "oArea_ring": "overlap areas between two bases, including only ring atoms"
      },
      {
        "phosContacts": "H-bonding and atom-capping interactions involving a phosphate"
      },
      {
        "residue_pair": "types of the two residues involved in an H-bond"
      },
      {
        "rmsd": "root-mean-squares deviation"
      },
      {
        "serNum": "serial number"
      },
      {
        "ssSegments": "single-stranded segments not involved in loops"
      },
      {
        "ssZp": "Z-coordinate of the 3' phosphorus atom with reference to the 5' base plane"
      },
      {
        "sstr": "secondary structure in dbn"
      },
      {
        "stem": "helix consisting of only canonical pairs, with a continuous backbone"
      },
      {
        "str_id": "structure identifier, derived from inpfile with extension removed"
      },
      {
        "vert_dist": "vertical distance from an atom to a base plane"
      }
    ],
    "num_auxfiles": 13,
    "auxfiles": [
      {
        "index": 1,
        "name": "dssr-pairs.pdb",
        "desc": "an ensemble of base pairs"
      },
      {
        "index": 2,
        "name": "dssr-multiplets.pdb",
        "desc": "an ensemble of multiplets"
      },
      {
        "index": 3,
        "name": "dssr-helices.pdb",
        "desc": "an ensemble of helices (coaxial stacking)"
      },
      {
        "index": 4,
        "name": "dssr-2ndstrs.bpseq",
        "desc": "secondary structure in bpseq format"
      },
      {
        "index": 5,
        "name": "dssr-2ndstrs.ct",
        "desc": "secondary structure in connectivity table format"
      },
      {
        "index": 6,
        "name": "dssr-2ndstrs.dbn",
        "desc": "secondary structure in dot-bracket notation"
      },
      {
        "index": 7,
        "name": "dssr-torsions.txt",
        "desc": "backbone torsion angles and suite names"
      },
      {
        "index": 8,
        "name": "dssr-splays.pdb",
        "desc": "an ensemble of splayed-apart units"
      },
      {
        "index": 9,
        "name": "dssr-stacks.pdb",
        "desc": "an ensemble of base stacks"
      },
      {
        "index": 10,
        "name": "dssr-rotmat.txt",
        "desc": "position vector and rotation matrix"
      },
      {
        "index": 11,
        "name": "dssr-viewV.pdb",
        "desc": "vertical view of the principal moment of inertia"
      },
      {
        "index": 12,
        "name": "dssr-viewH.pdb",
        "desc": "horizontal view of the principal moment of inertia"
      },
      {
        "index": 13,
        "name": "dssr-viewT.pdb",
        "desc": "top view of the principal moment of inertia"
      }
    ],
    "time_used": "999"
  }
}
