Tag category Constraint_stat_list
Key tags (columns):
Tags in table Constraint_stat_list:
| Tag | Description | data type | Mandatory |
|---|---|---|---|
| Assumed_angles_tot_num | Total number of angle constraints assumed to be present. | int | |
| Assumed_distances_tot_num | Total number of distance constraints assumed to be present. These may have been taken from an X-ray structure. | int | |
| Constraints_per_residue_avg | Average number of constraints per residue in the biopolymer. | float | |
| Constr_def_H_bonds_tot_num | Total number constraint values defining H-bonds | int | |
| Constr_def_SS_bonds_tot_num | Total number of constraint values defining disulfide bonds | int | |
| Constr_violations_per_residue_avg | Average number of constraint violations per residue in the biopolymer. | float | |
| Data_file_name | The name of the file submitted with this depostion that contains the quantitative data for this save frame. | line | |
| Derived_1H_chem_shifts_tot_num | Total number of constraints derived from 1H chemical shift data. | int | |
| Derived_CACB_chem_shift_tot_num | Total number of constraints derived from CA and CB chemical shift data. | int | |
| Derived_coupling_const_tot_num | Total number of constraints derived from coupling constant data. | int | |
| Derived_paramag_relax_tot_num | Total number of constraints derived from paramagnetic relaxation data. | int | |
| Derived_photo_cidnps_tot_num | Total number of constraints derived from photo cidnp data. | int | |
| Details | Text providing additional information regarding the reported constraint statistics. | text | |
| Dihedral_angle_tot_num | Please enter the total number of dihedral and torsion angle constraints used to calculate the reported conformers. This would include constraints for all components in the molecular system (proteins nucleic acids and ligands). | int | |
| Dist_constr_violat_stat_calc_method | Method used to calculate the distance constraint violations. | line | |
| Entry_ID | Pointer to '_Entry.ID' | code | yes |
| H_bonds_constrained_tot_num | Number of H-bonds constrained by experimental data | int | |
| ID | Unique identifier for the reported list of contraint statistics. | int | yes |
| NA_alpha_angle_tot_num | Total number of nucleic acid alpha angle contstraints | int | |
| NA_amb_dihedral_angle_tot_num | Total number of ambiguous nucleic acid dihedral angle constraints | int | |
| NA_beta_angle_tot_num | Total number of nucleic acid beta angle constraints | int | |
| NA_chi_angle_tot_num | Total number of nucleic acid chi angle constraints | int | |
| NA_delta_angle_tot_num | Total number of nucleic acid delta angle constraints | int | |
| NA_dihedral_angle_tot_num | Enter the total number of dihedral and torsion angle constraints related to the nucleic acid components of the molecular system studied. | int | |
| NA_epsilon_angle_tot_num | Total number of nucleic acid epsilon angle constraints | int | |
| NA_gamma_angle_tot_num | Total number of nucleic acid gamma angle constraints | int | |
| Name | A name assigned to the save frame. | line | |
| NA_other_angle_tot_num | Total number of constraints for other nucleic acid angles | int | |
| NA_other_tot_num | Total number of other kinds of nucleic acid constraints | int | |
| NA_sugar_pucker_tot_num | Total number of nucleic acid sugar pucker constraints | int | |
| NOE_ambig_intermol_tot_num | Total number of ambiguous intermolecular NOE constraints. | int | |
| NOE_ambig_intramol_tot_num | Total number of ambiguous intramolecular NOE constraints. | int | |
| NOE_dist_averaging_method | Mothod used to correct for motional averaging in evaluating interproton distances from NOE data. | line | |
| NOE_interentity_tot_num | Enter the total number of NOE constraints that represent interactions between nuclei on different molecular components in the molecular assembly studied. | int | |
| NOE_interproton_dist_evaluation | Method used to evaluate interproton distances from NOE data. | line | |
| NOE_intraresidue_tot_num | Enter the total count of NOE values that represent interactions between atoms within a single residue (amino acid nucleic acid or other residue). | int | |
| NOE_intraresidue_unique_tot_num | Total number of unique intraresidue (i-j=0) NOE constraints. | int | |
| NOE_long_range_tot_num | Enter the total count of 'long-range' NOE values representing interactions between residues distance in the biopolymer sequence (|i-j| > 4) and other NOEs not included in the other counts. | int | |
| NOE_long_range_unique_tot_num | Total number of unique long range (|i-j|>4) NOE constraints. | int | |
| NOE_medium_range_tot_num | Provide the total count of the NOE values that represent interactions between residues defined as 'medium-range' or relatively close in the sequence of the biopolymer chain (|i-j| < 5). For proteins these NOEs are often used to define secondary structure | int | |
| NOE_medium_range_unique_tot_num | Total number of unique medium range (2<|i-j|<5) NOE constraints. | int | |
| NOE_other_tot_num | Provide a total count of NOE values that do not fit in any of the catagories for specific types of NOE constraints (not the total NOE count) listed above. These might be NOE values from interactions between nuclei within a ligand. | int | |
| NOE_pseudoatom_corrections | A yes/no flag that defines whether pseudoatom corrections have been applied in calculating the NOE restraint statistics. | yes_no | |
| NOE_sequential_tot_num | Enter the total count of NOE values that represent interactions between sequential residues in the biopolymer chain (|i-j| = 1). | int | |
| NOE_sequential_unique_tot_num | Total number of unique sequential (|i-j|=1) NOE constraints. | int | |
| NOE_tot_num | Provide the total count of all NOE values used to calculate the conformers. | int | |
| NOE_unamb_intermol_tot_num | Total number of unambiguous intermolecular NOE constraints. | int | |
| NOE_unamb_intramol_tot_num | Total number of unambiguous intramolecular NOE constraints. | int | |
| NOE_unique_tot_num | Total number of unique NOE constraints. | int | |
| Protein_ambig_dihedral_tot_num | Total number of ambiguous dihedral angle constraints | int | |
| Protein_chi_one_angle_tot_num | Total number of protein chi1 angle constraints | int | |
| Protein_dihedral_angle_tot_num | Enter the total number of dihedral and torsion angle constraints related to the protein components of the molecular system studied. | int | |
| Protein_other_angle_tot_num | Total number of protein constraints for other torsion or dihedral angles | int | |
| Protein_other_tot_num | Total number of other protein constraints | int | |
| Protein_phi_angle_tot_num | Total number of protein phi angle constraints | int | |
| Protein_psi_angle_tot_num | Total number of protein psi angle constraints | int | |
| RDC_ambig_intermol_tot_num | Total number of ambiguous intermolecular residual dipolar coupling constraints. | int | |
| RDC_ambig_intramol_tot_num | Total number of ambiguous intramolecular residual dipolar coupling constraints. | int | |
| RDC_CAC_tot_num | One bond coupling between alpha carbon and carbonyl carbon | int | |
| RDC_CAHA_tot_num | One bond coupling between alpha carbon and alpha proton | int | |
| RDC_CAN_tot_num | One bond coupling between alpha carbon and amide nitrogen | int | |
| RDC_CC_tot_num | Total number of C to C RDC constraints | int | |
| RDC_CN_i_1_tot_num | One bond interesidue coupling between amide nitrogen and carbonyl carbon of previous residue | int | |
| RDC_HH_tot_num | Total number of H to H RDC constraints | int | |
| RDC_HNC_tot_num | Two bond interresidue coupling between amide proton and carbonyl carbon of previous residue | int | |
| RDC_HNHA_i_1_tot_num | Four bond interresidue coupling between amide proton and alpha proton of previous residue | int | |
| RDC_HNHA_tot_num | Three bond intraresidue coupling between amide proton and alpha proton | int | |
| RDC_intermol_tot_num | Total number of intermolecular RDC constraints | int | |
| RDC_intraresidue_tot_num | Total number of intraresidue (i-j=0) residual dipolar coupling constraints. | int | |
| RDC_long_range_tot_num | Total number of long range (|i-j|>4) and other residual dipolar coupling constraints. | int | |
| RDC_medium_range_tot_num | Total number of medium range (|i-j|<5) residual dipolar coupling constraints. | int | |
| RDC_NH_tot_num | One bond coupling between amide nitrogen and amide proton | int | |
| RDC_other_tot_num | Total number of other residual dipolar coupling constraints. | int | |
| RDC_sequential_tot_num | Total number of sequential (|i-j|=1) residual dipolar coupling constraints. | int | |
| RDC_tot_num | Total number of all RDC constraints | int | |
| RDC_unambig_intermol_tot_num | Total number of unambiguous intermolecular residual dipolar coupling constraints. | int | |
| RDC_unambig_intramol_tot_num | Total number of unambiguous intramolecular residual dipolar coupling constraints. | int | |
| ROE_ambig_intermol_tot_num | Total number of ambiguous intermolecular ROE constraints. | int | |
| ROE_ambig_intramol_tot_num | Total number of ambiguous intramolecular ROE constraints. | int | |
| ROE_dist_averaging_method | Mothod used to correct for motional averaging in evaluating interproton distances from ROE data. | line | |
| ROE_interproton_dist_evaluation | Method used to evaluate interproton distances from ROE data. | line | |
| ROE_intraresidue_tot_num | Enter the total count of NOE values that represent interactions between atoms within a single residue (amino acid nucleic acid or other residue). | int | |
| ROE_long_range_tot_num | Enter the total count of 'long-range' NOE values representing interactions between residues distance in the biopolymer sequence (|i-j| > 4) and other NOEs not included in the other counts. | int | |
| ROE_medium_range_tot_num | Provide the total count of the NOE values that represent interactions between residues defined as 'medium-range' or relatively close in the sequence of the biopolymer chain (|i-j| < 5). For proteins these NOEs are often used to define secondary structure | int | |
| ROE_other_tot_num | Total number of other kinds of ROE constraints. | int | |
| ROE_pseudoatom_corrections | A yes/no flag that defines whether pseudoatom corrections have been applied in calculating the ROE restraint statistics. | yes_no | |
| ROE_sequential_tot_num | Enter the total count of NOE values that represent interactions between sequential residues in the biopolymer chain (|i-j| = 1). | int | |
| ROE_tot_num | Provide the total count of all NOE values used to calculate the conformers. | int | |
| ROE_unambig_intermol_tot_num | Total number of unambiguous intermolecular ROE constraints. | int | |
| ROE_unambig_intramol_tot_num | Total number of unambiguous intramolecular ROE constraints. | int | |
| Sf_category | Category definition for the information content of the save frame | code | yes |
| Sf_framecode | A label for the save frame that describes in very brief terms the information contained in the save frame. | framecode | yes |
| Sf_ID | An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. | int | yes |
| SS_bonds_constrained_tot_num | Number of disulfide bonds constrained by experimental values | int | |
| Stats_not_available | Depositors are strongly encouraged to enter a few statistical parameters describing the constraints used to calculate the deposited conformers. If these data are not available please check the box provided. After checking the box and clicking on the 'sav | yes_no | |
| Text_data | A set of constraint statistics data formatted as ASCII text. | text | |
| Text_data_format | The data format used to represent the constraint statistical data as ASCII text in the text block that is the value to the '_Constraint_stat_list.Text_data' tag. | line | |