Tag category Conformer_stat_list_ens
Key tags (columns):
Tags in table Conformer_stat_list_ens:
| Tag | Description | data type | Mandatory |
|---|---|---|---|
| All_hvy_atm_coord_avg_rmsd | Average root mean squared deviation for all heavy atom coordinates for the ensemble of conformers. | float | |
| All_hvy_atm_coord_avg_rmsd_err | Estimated error in the average rmsd for all heavy atom coordinates for the ensemble of conformers. | float | |
| All_hvy_atm_coord_std_dev | Standard deviation for all heavy atom coordinates for the ensemble of conformers. | float | |
| All_hvy_atm_coord_std_dev_err | Estimated error in the standard deviation for all heavy atom coordinates for the ensemble of conformers. | float | |
| All_hvy_atm_exclusions | List the heavy atoms excluded in calculating the heavy atom coordinate statistics over 'all' heavy atoms. | line | |
| All_hvy_atm_residues_included | Residues included in the calculation of all heavy atom statistics. | line | |
| Angle_E_value | Angle energy value calculated for the ensemble of conformers. | float | |
| Angle_E_value_err | Estimated error in the angle energy value calculated for the ensemble of conformers. | float | |
| Atm_coord_avg_rmsd_calc_method | Method used to calculate the average root mean squared deviation for the atomic coordinates for the ensemble of conformers. | float | |
| BB_hvy_atm_coord_avg_rmsd | Average root mean squared deviation for the backbone heavy atom coordinates for the ensemble of conformers. | float | |
| BB_hvy_atm_coord_avg_rmsd_err | Estimated error in the average rmsd for the backbone heavy atom coordinates for the ensemble of conformers. | float | |
| BB_hvy_atm_coord_std_dev | Standard deviation for the backbone heavy atom coordinates for the ensemble of conformers. | float | |
| BB_hvy_atm_coord_std_dev_err | Estimated error in the standard deviation for the backbone heavy atom coordinates for the ensemble of conformers. | float | |
| BB_hvy_atm_exclusions | List the heavy atoms excluded in calculating the backbone heavy atom coordinate statistics. | line | |
| BB_hvy_atm_residues_included | Residues included in the calculation of the backbone heavy atom statistics. | line | |
| Bond_angle_rmsd | Root mean squared deviation of bond angles from idealized values. | float | |
| Bond_angle_rmsd_err | Estimated error in the rmsd value for bond angles from idealized values. | float | |
| Bond_E_value | Bond energy value calculated for the ensemble of conformers. | float | |
| Bond_E_value_err | Estimated error in the bond energy value calculated for the ensemble of conformers. | float | |
| Conformer_stat_list_ID | Pointer to '_Conformer_stat_list.ID' | int | yes |
| Covalent_bond_rmsd | Root mean squared deviation of bond lengths from idealized values. | float | |
| Covalent_bond_rmsd_err | Estimated error in the rmsd value for bond lengths from idealized values. | float | |
| Dihedral_angle_rmsd | Root mean squared deviation of bond angles from idealized values. | float | |
| Dihedral_angle_rmsd_err | Estimated error in the rmsd value for bond angles from idealized values. | float | |
| Entry_ID | Pointer to '_Entry.ID' | code | yes |
| Improper_E_value | Impropers energy value calculated for the ensemble of conformers. | float | |
| Improper_E_value_err | Estimated error in the impropers energy value calculated for the ensemble of conformers. | float | |
| Improper_torsion_angle_rmsd | Root mean squared deviation of improper angles from idealized values. | float | |
| Improper_torsion_angle_rmsd_err | Estimated error in the rmsd value for improper angles from idealized values. | float | |
| Lennard_Jones_E_value | Leonard-Jones energy value calculated for the ensemble of conformers. | float | |
| Lennard_Jones_E_value_err | Estimated error in the Leonard-Jones energy value calculated for the ensemble of conformers. | float | |
| NCS_E_value | Non-crystallographic symmetry energy value calculated for the ensemble of conformers. | float | |
| NCS_E_value_err | Estimated error in the non-crystallographic symmetry energy value calculated for the ensemble of conformers. | float | |
| Peptide_planarity_rmsd | Root mean squared deviation of peptide planarity from idealized values. | float | |
| Peptide_planarity_rmsd_err | Estimated error in the rmsd value for peptide planarity from idealized values. | float | |
| Ramachan_allowed_pct | Percent of residues in the allowed region of the Ramachandran plot as defined for proteins. | float | |
| Ramachan_disallowed_pct | Percent of residues in the disallowed region of the Ramachandran plot as defined for proteins. | float | |
| Ramachan_gen_allowed_pct | Percent of residues in the generously allowed region of the Ramachandran plot as defined for proteins. | float | |
| Ramachan_most_favored_pct | Percent of residues in the most favored region of the Ramachandran plot as defined for proteins. | float | |
| SC_hvy_atm_coord_avg_rmsd | Average root mean squared deviation for the sidechain heavy atom coordinates for the ensemble of conformers. | float | |
| SC_hvy_atm_coord_avg_rmsd_err | Estimated error in the average rmsd for the sidechain heavy atom coordinates for the ensemble of conformers. | float | |
| SC_hvy_atm_coord_std_dev | Standard deviation for the sidechain heavy atom coordinates for the ensemble of conformers. | float | |
| SC_hvy_atm_coord_std_dev_err | Estimated error in the standard deviation for the sidechain heavy atom coordinates for the ensemble of conformers. | float | |
| SC_hvy_atm_exclusions | List the heavy atoms excluded in calculating the sidechain heavy atom coordinate statistics. | line | |
| SC_hvy_atm_residues_included | Residues included in the calculation of the sidechain heavy atom statistics. | line | |
| Sf_ID | Pointer to '_Conformer_stat_list.Sf_ID' | int | yes |
| Stats_not_available | Depositors are strongly encouraged to enter a few statistical parameters that described the deposited ensemble of conformers. If this information cannot be entered at the time of deposition check the box provided. After checking the box and clicking on t | yes_no | |
| Torsional_angle_E_value | Torsion angle energy value calculated for the ensemble of conformers. | float | |
| Torsional_angle_E_value_err | Estimated error in the torsion angle energy value calculated for the ensemble of conformers. | float | |
| Total_E_value_ | Total energy value calculated for the ensemble of conformers. | float | |
| Total_E_value_err | Estimated error in the total energy value calculated for the ensemble of conformers. | float | |
| Van_der_Waals_E_value | Van der Waals energy value calculated for the ensemble of conformers. | float | |
| Van_der_Waals_E_value_err | Estimated error in the Van der Waals energy value calculated for the ensemble of conformers. | float | |