Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRHSKRTYCPDWDDKDWDYGKWRSSSSHKRRKRSHSSAQENKRCKYNHSKMCDSHYLESRSINEKDYHSRRYIDEYRNDYTQGCEPGHRQRDHESRYQNHSSKSSGRSGRSSYKSKHRIHHSTSHRRSHGKSHRRKRTRSVEDDEEGHLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCEAARSEIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIVFELLGLSTYDFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDYTEAYNPKIKRDERTLINPDIKVVDFGSATYDD---EHHSTLVSTRHYRAPEVILAL-GWSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKHMIQKTRKRKYFHHDRLDWDEHSSAGRYVSRR---CKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLLKKSI |
1UA2 Chain:A ((13-297)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------EKLDFLGEGQFATVYKARDK-NTNQIVAIKKI------NRTALREIKLLQELS--HPN----IIGLLDAFGHKSNISLVFDFMETDLEVIIKDNS-LVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLD-------------------ENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEE----------------QWPDMCSLPDYVTFKSFPGIPLHHIFSA---AGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPT |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172417 for 2146 contacts (-80.3/contact) +
2D Compatibility (PS) -28592 + (NN) -9306 + (LL) 9720
1D Compatibility (HY) -22400 + (ID) 4250
Total energy: -227245.0 ( -105.89 by residue)
QMean score : 0.442
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