ProtCHOIR Report

{% if report['runtime_arguments']['sequence_mode'] == True %}

Input Filename: {{report['input_filename']}}

{% else %}

Input Filename: {{report['input_filename']}}
Residues: {{report['protomer_residues']}}
Total solvent-exposed area: {{report['protomer_exposed_area']}}
Hydrophobic exposed area*: {{report['protomer_hydrophobic_area']}}
Conserved exposed area**: {{report['protomer_conserved_area']}}
Molprobity clashscore: {{report['protomer_clashscore']}}
Molprobity score: {{report['protomer_molprobity']}}

*Hydrophobic residues are: MET, CYS, ILE, LEU, TYR, PHE and TRP.
**Residues are considered conserved if relative entropy Z-score is > 1.

Input Protomer
(with projected sequence relative entropy Z-scores)

{% endif %}

Runtime Arguments:
{% for key, value in report['runtime_arguments'].items() %} {{key}}: {{value}}
{% endfor %}

{% if report['runtime_arguments']['sequence_mode'] == True %} {% else %} {% endif %} {% for hit in report['hits'] %} {% if report['runtime_arguments']['sequence_mode'] == True %} {% else %} {% endif %} {% endfor %}

Hit	ch.	pid	cov	score	qscore	Tot. ch.	Rel. ch.
{{report['hits'][hit]['hit_code']}}	{{report['hits'][hit]['chain']}}	{{report['hits'][hit]['id']}}	{{report['hits'][hit]['coverage']}}	{{report['hits'][hit]['score']}}	{{report['hits'][hit]['qscore']}}	{{report['hits'][hit]['total_chains']}}	{{report['hits'][hit]['final_homo_chains']}}

Selected template*: {{report['best_template']}}
{% if report['runtime_arguments']['sequence_mode'] == False %} *based on average GESAMT q-score {% else %} *based on PSI-Blast alignment score {% endif %}

Total solvent-exposed area*: {{report['assemblied_protomer_exposed_area']}} {% if report['runtime_arguments']['sequence_mode'] == False %}(-{{report['exposed_area_reduction']}}%){% endif %}
Hydrophobic exposed area*: {{report['assemblied_protomer_hydrophobic_area']}} {% if report['runtime_arguments']['sequence_mode'] == False %}(-{{report['hydrophobic_area_reduction']}}%){% endif %}
Conserved exposed area*: {{report['assemblied_protomer_conserved_area']}} {% if report['runtime_arguments']['sequence_mode'] == False %}(-{{report['conserved_area_reduction']}}%){% endif %}
RMSD to template**: {{report['gesamt_rmsd']}}
Q-score to template**: {{report['gesamt_qscore']}}
Molprobity clashscore: {{report['model_clashscore']}}
Molprobity score: {{report['model_molprobity']}}

*Per protomer. % compared to unassembled protomer.
**Data obtained using GESAMT.