Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKYIFVTGGVVSSLGKGIVAASLGRLLKNRGLNVTIQKFDPYINVDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFIDINLNKFSNVTTGKIYSTVLKKERRGDYLGGTVQVIPHITNELKDRVYRAGKETNADVVITEIGGTVGDIESLPFLEAIRQMKSDIGRENVMYIHCTLVPYIKAAGELKTKPTQHSVKELRSLGIQPNIIVVRTEMPISQDMKDKIALFCDIDTKAVIECEDADNLYSIPLELQKQGLDKLVCEHMKLACKEAEMSEWKELVNKVS--NLSQTITIGLVGKYVELPDAYISVVESLRHAGYAFDTDVKVKWINAEEVTEN--NIAELTSGTDGIIVPGGFGDRGVEGKIVATKYARENNIPFLGICLGMQVASIEYARNVLGLKGAHSAEIDPSTQYPIIDLLPEQKDVEDLGGTLRLGLYPCKLEEGTKAFEVYQDEVVYERHRHRYEFNNEFRQQMEEQGFVFSGTSPDGRLVEIIELKDHPWFVASQFHPEFKSRPTRPQPLFKGFIGASVEAANQK 3NVA Chain:A ((4-531)) --KYIVVTGGVLSSVGKGTLVASIGMLLKRRGYNVTAVKIDPYINVDAGTMNPYMHGEVFVTEDGAETDLDLGHYERFMDVNMTKYNNITAGKVYFEVIKKEREGKYLGQTVQIIPHVTDQIKDMIRYASKINNAEITLVEIGGTVGDIESLPFLEAVRQLKLEEGEDNVIFVHIALVEYLSVTGELKTKPLQHSVQELRRIGIQPDFIVGRATLPLDDETRRKIALFTNVKVDHIVSSYDVETSYEVPIILESQKLVSKILSRLKLEDRQVDLTDWISFVNNIKGINSKKTINIALVGKYTKLKDSYISIKEAIYHASAYIGVRPKLIWIESTDLESDTKNLNEILGNVNGIIVLPGFGSRGAEGKIKAIKYAREHNIPFLGICFGFQLSIVEFARDVLGLSEANSTEINPNTKDPVITLLDEQKNVTQLGGTMRLGAQKIILKEGTIAYQLYGKKVVYERHRHRYEVNPKYVDILEDAGLVVSGISENG-LVEIIELPSNKFFVATQAHPEFKSRPTNPSPIYLGFIRA--------

General information: TITO was launched using: RESULT: Template: 3NVA.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 : 3023 -99049 -32.77 -189.02 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -32.77 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_3NVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NVA-query.scw PDB file : Tito_Scwrl_3NVA.pdb: