Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MPSNVKLLEARLKAEYYTVIVAHDSEEAIDLVAKQQPDIILLDIMMPKINGFKVCKNLKSTPLTTHIPIIMVTALHDTHDRVQGINAGADDFLTKPIDETALSARIKSLTRLKMVIDELRLRGETNAEICGVAGSSIMDYSNQIFDSNILVVDEDIFQAEQIHNVLKQRFKL-INILNDPMEALKVGIEDNYDLIISDMQFSETDGLRLCSEFRSKVETRYTPILILSEDYNKNNLVKALDVGANDYLTVPLDESELIARVNLQVK---------------RKRYQDALRMNLFNNAEMSIKDPLTNCYNRRYFDTHLRNIIKDSVEKNRRLSLMILDIDYFKIVNDDFGHSAGDELLKQIQKRISENI-RVTDLLARFGGEEFVVVMPDTNISDAYIVAERIREIIATEPFILSDKNTTHNVTVSIGVVEMQESDLDNIEKFIVR-ADRYLYKAKNSGRNRVVTS |
| 3BRE Chain:B ((21-334)) | ----------------------------------------------------------------------------------------------------------------------------------------------------VLLVDDQAMIGEAVRRSLASEAGIDFHFCSDPQQAVAVANQIKPTVILQDLVMPGVDGLTLLAAYRGNPATRDIPIIVLSTKEEPTVKSAAFAAGANDYLVKLPDAIELVARIRYHSRSYIALQQRDEAYRALRESQQQLLETNLVLQRLMN-SDGLTGLSNRRHFDEYLEMEWRRSLREQSQLSLLMIDVDYFKSYNDTFGHVAGDEALRQVAGAIREGCSRSSDLAARYGGEEFAMVLPGTSPGGARLLAEKVRRTVESLQISHDQPRPGSHLTVSIGVSTLVPGGGGQTFRVLIEMADQALYQAKNNGRNQVGLM |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BRE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -160309 for 2240 contacts (-71.6/contact) +
2D Compatibility (PS) -32495 + (NN) -17676 + (LL) 11248
1D Compatibility (HY) -18000 + (ID) 5250
Total energy: -222482.0 ( -99.32 by residue)
QMean score : 0.530
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