STRUCT_CONF category.
Elements of conformational structure such as helices, turns and beta strands
are specified in category STRUCT_CONF_TYPE along with the criteria
used to identify the conformation. Each conformational assignment is listed
in the STRUCT_CONF category. The list includes the conformation type
and the range of residues defining the feature.
The identification of the residues participating in each assignment is tied to
the labeling information in the ATOM_SITE category.
These relationships are illustrated in the following diagram.
An abbreviated example of the secondary structure assignments for the HIV Protease system (PDB 5HVP, Fitzgerald et al., 1990).
loop_ _struct_conf_type.id _struct_conf_type.criteria HELX_RH_AL_P 'AUTHOR JUDGEMENT' STRN_P 'AUTHOR JUDGEMENT' TURN_TY1_P 'AUTHOR JUDGEMENT' TURN_TY1P_P 'AUTHOR JUDGEMENT' TURN_TY2_P 'AUTHOR JUDGEMENT' TURN_TY2P_P 'AUTHOR JUDGEMENT' # loop_ _struct_conf.id _struct_conf.conf_type_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id HELX1 HELX_RH_AL_P ARG A 87 GLN A 92 HELX2 HELX_RH_AL_P ARG B 287 GLN B 292 STRN1 STRN_P PRO A 1 LEU A 5 STRN2 STRN_P CYS B 295 PHE B 299 STRN3 STRN_P CYS A 95 PHE A 299 STRN4 STRN_P PRO B 201 LEU B 205 TURN1 TURN_TY1P_P ILE A 15 GLN A 18 TURN2 TURN_TY2_P GLY A 49 GLY A 52 TURN3 TURN_TY1P_P ILE A 55 HIS A 69 TURN4 TURN_TY1_P THR A 91 GLY A 94
An example of the description of a right-handed helix in a drug-DNA complex (NDB DDF040, Leonard et al., 1993). This nucleic acid helix type is specified according to an author defined criteria.
loop_ _struct_conf.id _struct_conf.conf_type_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id CHAIN-A HELX_RH_OT_N T A 1 A A 6 # loop_ _struct_conf_type.id _struct_conf_type.criteria HELX_RH_OT_N 'AUTHOR JUDGEMENT' # loop_ _atom_site.id _atom_site.label_atom_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_seq_id _atom_site.label_entity_id _atom_site.cartn_x _atom_site.cartn_y _atom_site.cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv 1 O5* T A 1 1 -18.744 20.195 22.722 1.00 36.68 2 C5* T A 1 1 -18.262 20.915 23.867 1.00 4.63[an error occurred while processing this directive]