Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MELQPPEASIAVVSIPRQLPGSHSEAGVQGLSAGDDSELGSHCVAQTGLELLASGDPLPSASQNAEMIETGSDCVTQAGLQLLASSDPPALASKNAEVTGTMSQDTEVDMKEVELNELEPEKQPMNAASGAAMSLAGAEKNGLVKIKVAEDEAEAAAAAKFTGLSKEELLKVAGSPGWVRTRWALLLLFWLGWLGMLAGAVVIIVRAPRCRELPAQKWWHTGALYRIGDLQAFQG---HGAGNLAGLKGRLDYLSSLKVKGLVLGPIHKNQ--KDDVAQTDLLQIDPNFGSKEDFDSLLQSAKKKSIRVILDLTPNYRG-ENSWFS------------------------------------------------------------TQVDTVATKVKDALEFWLQAGVDGFQVRDIENLK---------------------------------------DASSFLAEWQNITKGFSEDRLLIAGTNSSDLQQ-ILSLLE-SNKDLLLTSSYLSDSGSTGEHTKSLVTQYLNATGNRWCSWSL--SQARLLTSFLPA-----QLLRLYQLMLFTLPGTPVFSYGDEIGLDAAALP-----------------GQPMEAPVMLWDESSFPD-----IPGAV---SANMTVKGQSEDPGSLLSLFRRLSDQRSKERSLLHGDFHAFSAGPGLFSYIRHWDQNERFLVVLNFGDVGLSAGLQASDLPASASLPAKADLLLSTQPGREEGSPLELERLKLEPHEGLLLRFPYAA |
3WY2 Chain:A ((4-537)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NMMWWRGGVIYQIY-PRSFLDSRGDGVGDLNGITEKLDYVASLNVDGIWLSPFFTSPMLDFGYDVSDYRDVDPMFGTLEDFKALLEKAHSLGLKVMIDQVISHTSDQHPWFQESRQNRTNPKADWFVWADPKPDGTPPNNWLSIFGGSAWTFDSRRQQYYLHNFLTSQPDVNFHHPEARQAQLDNMRFWLDLGVDGFRLDTVNFYFHDAELRDNPPVPKGEAKTLGAPEANPYTWQRHVYDLSRPENLDFLKDLRALMDEY-PGTTTVGEIGDDNPLERMAEYTAGGDKLHMAYTFDLLNMPHSASYLREVIERFQRLAGDAWPCWATSNHDVVRSATRWGADEDPHAYPKVMLAVLFSLRGSVCLYQGEELGLPEADVPFERIQDPYGKVLWPEFKGRDGCRTPMPWTDGEQGGFSPVEPWLPMEARHLELAVSRQQDDPNATLNTVRALLAFRRSHPALFDGDLSLVDVGDDLLGFTRQKG-DETLLCVFNLTGQEQQTTL-----PV--EVAS---DLPVAHFTA----TRDGSTLTLPAYQAAFMQVA--- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3WY2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -186880 for 3400 contacts (-55.0/contact) +
2D Compatibility (PS) -42108 + (NN) -22858 + (LL) 14852
1D Compatibility (HY) -22400 + (ID) 4350
Total energy: -263744.0 ( -77.57 by residue)
QMean score : 0.449
|
|
|