Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLLVIGCGGVAQVAISKICQDSETFTEIMIASRTKSKCDDLKAKLEGKTSTKIETAALDADKVEEVIALIGSYKPEAVLNVALPYQDLTIMDACLATGVHYIDTANYEAEDTEDPEWRAIYEKRCKELGFTAYFDYSWQWAYQEKFKEAGLTALLGSGFDPGVTSVFSAYALKHYFDEIHYIDILDCNGGDHGYPFATNFNPEINLREVSAPGSYWEDGKWVEVEAMSIKREYDFPQVGQKDMYLLHHEEIESLAKNIPGVKRIRFFMTFGQSYLTHMKCLENVGLLRTDTINFNGQEIVPIQFLKALLPDPASLGPRTVGKTNIGCIFTGVKDGVEKTIYIYNVCDHQECYAEVGSQAISYTTGVPAMIGTKLVMNGTWKQAGVYNLEELDPDPFMEALNEYGLPWVVVENPQMVD 4INA Chain:B ((2-398)) -AKVLQIGAGGVGGVVAHKMAMNREVFSHITLASRTLSKCQEIAQSIKAKGYGEIDITTVDADSIEELVALINEVKPQIVLNIALPYQDLTIMEACLRTGVPYLDTANYEH------------------------FEYKEQWAFHDRYKEKGVMALLGSGFDPGVTNVFCAYAQKHYFDEIHEIDILDCNAGDHGYPFATNFNPEINLREVSSKGRYWENGEWIETEPMEIMQVWDYPEVGPKDSYLLYHEELESLVRNIKGLKRIRFFMTFGQSYLTHMRCLENVGMLRIDEIEVNGCKVVPIQVLKALLPDPASLASRTKGKTNIGCYIKGIKEGKARTIYIYNVCDHESCYREVNAQAISYTTGVPAMIGAKLMLEGKWSGKGVFNMEELDPDPFMDELNKQGLPWEVKEMEAL--

General information: TITO was launched using: RESULT: Template: 4INA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 4 -1173 -293.25 -2.99 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -293.25 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.144

(partial model without unconserved sides chains): PDB file : Tito_4INA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4INA-query.scw PDB file : Tito_Scwrl_4INA.pdb: