Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANDKITIHGARAHNLKNIDVTIPRDKFVVVTGLSGSGKSSLAFDTLYAEGQRRYVESLSAYARQFLGQMDKPDVDSIDGLSPAISIDQKTTSKNPRSTVGTVTEINDYLRLLFARVGHPICPNDHIEITSQSVDQMADQVMALPERTKIQVLAPIVVKKKGQHKKIFERIQKEGYVRVRVDGEIYDLSEVPELEKNKKHDIAIVIDRIIVKEGIRSRLFDSLEAALRLADGYALVDVIGEEEMLFSEHYACPYCGFTVGELEPRLFSFNAPFGACPDCDGLGVKLEVDQDLVIPDRTKTLSQGAIVPWNPISSQYYPQMLAQACESFGIDLDTPFEELPEEHQEIILNGTDDLFHFHY------ENDFGGVRDVETTFEGVLKNIERR----YHDTNSDFTREQMRLYMTELTCQTCKGYRLNPQALSVQINGTNIGQTNELSIQKAVDFFSNLTLSEQ----EKVIAKP--------ILKEVNDRLSFLENVGLDYLTLSRASGTLSGGEAQRIRLATQIGSNLSGVLYILDEPSIGLHQRDNDRLIGSLKKMRDLGNTLVVVEHDEDTMWAADYLIDVGPGAGEQGGQIVAAGTPEEVANDENSLTGKYLSGKKSIPVPKERRKGNGKAIKITGASENNLKNISVEFPLGEFVAVTGVSGSGKSTLVNSILKKSLA----QKLNKNSAKPGKFKTISGYESIEKIIDIDQSPIGRTPRSNPATYTSVFDDIRGLFAQTNEAKMRGYKKGRFSFNVKGGRCEACRGDGIIKIEMHFLPDVYVPCEVCHGKRYNSETLEVHYKGKSIADILEMTVEDAVEFFKHIPKIHRKLQTIVDVGLGYVTMGQPATTLSGGEAQRMKLASELHKISNGKNFYILDEPTTGLHSDDIARLLHVLQRLVDAGNTVLVIEHNLDVIKTADYIIDLGPEGGEGGGTILATGTPEEIINVKESYTGHYLKKIMV 2VF8 Chain:A ((142-841)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FSPNTPEGACPECHGLGRVYTVTEDSMVPDPSLTIRERAVAAW---PQAWGGQNQRDILVTLGIDVDVPWRELPEETRHWILFTDEQPVVPVYPGLTPAETQRALKKKMEPSYMGTFSSARRHVLHTFANTESASMKKRVQGYMISEECPLCHGKRLRQEALNVTFAGLDITELSRLPLARVSELLRPYAEEREPGHAERVKNRPEQAIALQRMAADLVKRLDVLLHLGLGYLGLDRSTPTLSPGELQRLRLATQLYSNLFGVVYVLDEPSAGLHPADTEALLSALENLKRGGNSLFVVEHDLDVIRRADWLVDVGPEAGEKGGEILYSGPPEGLKHVPESQTGQYLFAD---E-PHTPREPAGW-LELNGVTRNNLDNLDVRFPLGVMTSVTGVSGSGKSTLVSQALVDALAAHFGQ---------GSARLGGDLAQITRLVRVDQKPIGRTPRSNMATYTGLFDQVRKLFAATPLAKKRGYNAGRFSFNVKGGRCEHCQGEGWVMV-----PSVYAPCPVCHGTRYNAETLEVEYRGKNIADVLALTVDEAHDFFADESAIFRALDTLREVGLGYLRLGQPATELSGGEAQRIKLATELRRSGRGGTVYVLDEPTTGLHPADVERLQRQLVKLVDAGNTVIAVEHKMQVVAASDWVLDIGPGAGEDGGRLVAQGTPAEVAQAAGSVTAPYLRAAL-

General information: TITO was launched using: RESULT: Template: 2VF8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3162 105800 33.46 163.02 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 33.46 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_2VF8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VF8-query.scw PDB file : Tito_Scwrl_2VF8.pdb: