Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSNVKLLEARLKAEYYTVIVAHDSEEAIDLVAKQQPDIILLDIMMPKINGFKVCKNLKSTPLTTHIPIIMVTALHDTHDRVQGINAGADDFLTKPIDETALSARIKSLTRLKMVIDELRLRGETNAEICGVAGSSIMDYSNQIFDSNILVVDEDIFQAEQIHNVLKQRFKLINILNDPMEALKVGIEDNYDLIISDMQFSETDGLRLCSEFRSKVETRYTPILILSEDYNKNNLVKALDVGANDYLTVPLDESELIARVNLQVKRKRYQDALRMNLFNNAEMSIKDPLTNCYNRRYFDTHLRNIIKDSVEKNRRLSLMILDIDYFKIVNDDFGHSAGDELLKQIQKRISENIRVTDLLARFGGEEFVVVMPDTNISDAYIVAERIREIIATEPFILSDKNTTHNVTVSIGVVEMQESDLDNIEKFIVRADRYLYKAKNSGRNRVVTS |
2WB4 Chain:B ((13-450)) | --ANVRLLEAKLTAEYYEVSTAMDGPTALAMAARDLPDIILLDVMMPGMDGFTVCRKLKDDPTTRHIPVVLITALDGRGDRIQGLESGASDFLTKPIDDVMLFARVRSLTRFKLVIDELRQREASG-----------LDG----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) -219730 for 3284 contacts (-66.9/contact) +
2D Compatibility (PS) -46760 + (NN) -26039 + (LL) 1252
1D Compatibility (HY) -32400 + (ID) 9550
Total energy: -333227.0 ( -101.47 by residue)
QMean score : 0.483
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