Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSNVKLLEARLKAEYYTVIVAHDSEEAIDLVAKQQPDIILLDIMMPKINGFKVCKNLKSTPLTTHIPIIMVTALHDTHDRVQGINAGADDFLTKPIDETALSARIKSLTRLKMVIDELRLRGETNAEICGVAGSSI-MDYSNQIFDSNILVVDEDIFQAEQIHNVLKQRFKLINILNDPMEALKVGIEDNYDLIISDMQFSETDGLRLCSEFRSKVETRYTPILILSEDYNKNNLVKALDVGANDYLTVPLDESELIARVNLQVKRKRYQDALRMNLFNNAEMSIKDPLTNCYNRRYFDTHLRNIIKDSVEKNRRLSLMILDIDYFKIVNDDFGHSAGDELLKQIQKRISENIRVTDLLARFGGEEFVVVMPDTNISDAYIVAERIREIIATEPFILSDKNTTHNVTVSIGVVEMQESDLDNIEKFIVRADRYLYKAKNSGRNRVVTS |
2WB4 Chain:A ((13-450)) | --ANVRLLEAKLTAEYYEVSTAMDGPTALAMAARDLPDIILLDVMMPGMDGFTVCRKLKDDPTTRHIPVVLITALDGRGDRIQGLESGASDFLTKPIDDVMLFARVRSLTRFKLVIDELRQREASGRRMGVIAGAAARLDG----LGGRVLIVDDNERQAQRVAAELGVEHRPV-IESDP-EKAKISAGGPVDLVIVNAAAKNFDGLRFTAALRSEERTRQLPVLAMVDPDDRGRMVKALEIGVNDILSRPIDPQELSARVKTQIQRKRYTDYLRNNLDHSLELAVTDQLTGLHNRRYMTGQLDSLVKRATLGGDPVSALLIDIDFFKKINDTFGHDIGDEVLREFALRLASNVRAIDLPCRYGGEEFVVIMPDTALADALRIAERIRMHVSGSPFTVAHGREMLNVTISIG-VSATAGEGDTPEALLKRADEGVYQAKASGRNAVVGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WB4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223971 for 3351 contacts (-66.8/contact) +
2D Compatibility (PS) -47863 + (NN) -23427 + (LL) 604
1D Compatibility (HY) -32400 + (ID) 9650
Total energy: -336707.0 ( -100.48 by residue)
QMean score : 0.475
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