Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDAHRLSIAAIVDQHAEEAAFLALLRDYAVRAPHYDLEELAELDQRIEAHLDGLAIAGQAGHDALLEQLDAHAQGEAFALAVLAMQAGDDALIGRMRACLAAS-PEARRGFAAALGWLDWDQA----------RPWV----ERLLAS-----PEPLFRAIGLAACGMHRH-----DPGPALLSALGHADPAVLARAARTAGELRR-----RDLMANIRAYRAHDDPSLRFWANWATAQMGD----EEALGPLRAFAGQPG-PF--QLPATMVLLAWQPR-------DTSMAWIRQLMQA--ADTRRIGIQATGLFGDP-VAVPWLIQQMRDES--LARVAGEAFSLITGADLALLDLELEALPDYDPGPNDDLDDDNVALDDDENLSWPEAERVSAWWRDNGARFVAGRAYLLGEPLGEARCRQVLRDGQQRQRMAAACLLARFVPNLPLFPTGAPVRRQLDLF |
3OC3 Chain:A ((177-435)) | ---------------------------------------------------------------------------------------------EQISDNLLSYEWYKRHGAFLAFAAMFSEIDIQIRVDSKLFSKIYEILVTDKFNDFVDDRTVAPVRDAAAYLLSRIYPLIGPNDIIEQLVGFLDSGDWQVQFSGLIALGYLKEFVEDKDGLCRKLVSLLSSPDEDIKLLSAELLCHFPITDSLDLVLEKCWKNIESEELISVSKTSNLSLLTKIYRENPELSIPPERLKDIFPCFTSPVPEVRTSILNMVKNLSEESIDFLVAEVVLIEEKDEIREMAIKLLKKRRDLPKNLILHFMNVIGGSLYEPYSEDDFVSYEDLYFTKSGINVVGKDEILKNRCLLFECIMKSGLPDLQSTIETTTSRTFISLYRSVQALVKDTPYTPANIEELEYYFDRCKDLKMA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -54004 for 1447 contacts (-37.3/contact) +
2D Compatibility (PS) -22076 + (NN) -9398 + (LL) 8840
1D Compatibility (HY) -6800 + (ID) 1000
Total energy: -84438.0 ( -58.35 by residue)
QMean score : 0.356
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