PDB file: |
{{ my_PDB }} |
{{ n_model }} models found |
NOE restraint file: |
{{ my_NOE }} |
{{ n_NOE }} |
BMRB file: |
{{ my_STR }} |
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{% if RDC_data %}
{% endif %}
{% if S2_data %}
{% endif %}
{% if Jcoup_data %}
{% endif %}
{% if chemshift_data %}
{% endif %}
Calculation in progress
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{% if NOE_PRIDE_data %}
NOE violations and PRIDE-NMR
NOE distance violation |
Total # of violations: | {{ NOE_PRIDE_data.NOE_violations }} |
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PRIDE-NMR |
Model with best score: | {{ NOE_PRIDE_data.best_score }} |
Model with worst score: | {{ NOE_PRIDE_data.worst_score }} |
Average score: | {{ NOE_PRIDE_data.average_score }} |
Standard Deviation: | {{ NOE_PRIDE_data.deviation }} |
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{{ PRIDE_hist }} |
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{% endif %}
{% if RDC_data %}
{% for RDC_num, RDC_table in RDC_data.items %}
RDCs (group {{ RDC_num }})
{% for RDC in RDC_table %}
{{ RDC.RDC_type }} | |
Values: | {{ RDC.RDC_model_n }} |
Correlation: | {{ RDC.correlation }} |
Q-factor: | {{ RDC.q_value }} % |
RMSD: | {{ RDC.rmsd }} |
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{% endfor %}
{% endfor %}
{% endif %}
{% if S2_data %}
Order parameters
{% for S2 in S2_data %}
{{ S2.S2_type }} | |
Values: | {{ S2.S2_model_n }} |
Correlation: | {{ S2.correlation }} |
RMSD: | {{ S2.rmsd }} |
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{% endfor %}
{% endif %}
{% if S2_sc_data %}
Order parameters - sidechain
S2 sidechain | |
Values: | {{ S2_sc_data.S2_model_n }} |
Correlation: | {{ S2_sc_data.correlation }} |
RMSD: | {{ S2_sc_data.rmsd }} |
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{% endif %}
{% if Jcoup_data %}
Scalar couplings
{% for Jcoup in Jcoup_data %}
{{ Jcoup.Jcoup_type }} | |
Values: | {{ Jcoup.Jcoop_model_n }} |
Correlation: | {{ Jcoup.correlation }} |
RMSD: | {{ Jcoup.rmsd }} |
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{% endfor %}
{% endif %}
{% if chemshift_data %}
Chemical shifts
{% for CS in chemshift_data %}
{% if "_secondary" not in CS.CS_type %}
{% endif %}
{{ CS.CS_type }} | |
Values: | {{ CS.CS_model_n }} |
Correlation: | {{ CS.correlation }} |
RMSD: | {{ CS.rmsd }} |
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{% if "_secondary" not in CS.CS_type %}
{% endif %}
{% endfor %}
{% endif %}