Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSNVKLLEARLKAEYYTVIVAHDSEEAIDLVAKQQPDIILLDIMMPKINGFKVCKNLKSTPLTTHIPIIMVTALHDTHDRVQGINAGADDFLTKPIDETALSARIKSLTRLKMVIDELRLRGETNAEICGVAGSSI-MDYSNQIFDSNILVVDEDIFQAEQIHNVLKQRFKLINILNDPMEALKVGIEDNYDLIISDMQFSETDGLRLCSEFRSKVETRYTPILILSEDYNKNNLVKALDVGANDYLTVPLDESELIARVNLQVKRKRYQDALRMNLFNNAEMSIKDPLTNCYNRRYFDTHLRNIIKDSVEKNRRLSLMILDIDYFKIVNDDFGHSAGDELLKQIQKRISENIRVTDLLARFGGEEFVVVMPDTNISDAYIVAERIREIIATEPFILSDKNTTHNVTVSIGVVEMQESDLDNIEKFIVRADRYLYKAKNSGRNRVVTS |
1W25 Chain:B ((12-449)) | --ANVRLLEAKLTAEYYEVSTAMDGPTALAMAARDLPDIILLDVMMPGMDGFTVCRKLKDDPTTRHIPVVLITALDGRGDRIQGLESGASDFLTKPIDDVMLFARVRSLTRFKLVIDELRQREASGRRMGVIAGAAARLDG----LGGRVLIVDDNERQAQRVAAELGVEHRPV-IESDP-EKAKISAGGPVDLVIVNAAAKNFDGLRFTAALRSEERTRQLPVLAMVDPDDRGRMVKALEIGVNDILSRPIDPQELSARVKTQIQRKRYTDYLRNNLDHSLELAVTDQLTGLHNRRYMTGQLDSLVKRATLGGDPVSALLIDIDFFKKINDTFGHDIGDEVLREFALRLASNVRAIDLPCRYGGEEFVVIMPDTALADALRIAERIRMHVSGSPFTVAHGREMLNVTISIG-VSATAGEGDTPEALLKRADEGVYQAKASGRNAVVGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1W25.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200615 for 3549 contacts (-56.5/contact) +
2D Compatibility (PS) -47939 + (NN) -24667 + (LL) 604
1D Compatibility (HY) -32400 + (ID) 9650
Total energy: -314667.0 ( -88.66 by residue)
QMean score : 0.465
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