Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDSIGVKRHWIWQGAFVLILAGVITKILSAVYRVPFQNIVGDVGFYIYQQVYPFLGIAVMLSTSGFPVIISKLMNDYSEKNHHTILKISALFLSLIGILLFLCLYLGAVPIALFMGDSHLAVLIQVAAYAFLLFPFVALLRGGFQGRHEMLPSALSQMTEQFLRVAVLLGLSFWLVKKGASLYTAGAAAASGSLAGSLVALIILGFF---WFKTKRDNQTDRQNENVITTKELTKKLLLYSVTICVSSLLLLFIQLVDALNLYALLSGGEASEEAKCLKGIYDRGQPLLQLGSVFAVSIATSLVPYISMAVKNKELKIMKEKITSSLKLCLVLGTGASAGLICILKPVNIMLFQ-NGEGTGALQVFSCSILFASLAVTAAAVLQGAG-------YTVFPAIAVGAGVAVKWVLNTLLVPRYGIEGASLATAASFAAVAGLNLYQLRQKEWLDKLRGVLIPIIGSALLMSAVLLAYTRLWTFLFPATGRGAAVIESLSAVAIGGAVFIYCMMRLGIFTDEELNSVPFGSKLSKFMRRREQNGG |
3VVS Chain:A ((171-420)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------LAMVLGSGLNIVLDPIFIYTLGFGVVGAAYA-TLLSMVVTSLFIAYWLFVKRDTYVDITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFF--LNSVAITAGGENG------VAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIEL-AVVAFIMLFAPQVAYLFTIKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTL----------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VVS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113482 for 1498 contacts (-75.8/contact) +
2D Compatibility (PS) -24014 + (NN) -4818 + (LL) 25004
1D Compatibility (HY) -21600 + (ID) 2550
Total energy: -141460.0 ( -94.43 by residue)
QMean score : 0.227
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