Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSHVRVQIMNQFHRKSHEYKAIKRYWKLIQQDSRKLSDKRFYRPTFRMHLTNKEILNKLLSYSEDLKHHYQLYQLLLFHFQNKEPEKFFGFIEDNLKQVHPLFQTVFKTFLKNKEKIVNALQLPYSNAKLEATNNLIKLIKRNAFGFRNFENFKKRIFIALNIKKERTKFVLSRA 4RKN Chain:A ((43-702)) MQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKYGGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNSTLQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDPVFDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKNGTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYVRGLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQKHTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLNAGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTGNVTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTHSKNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLVAGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCHS--------PVVSELKETLHFK--------DQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLE----------VKKLAPSDKTRVYELIEKAQDTVDLIEKDGS------------------WGMHGFKYTKQRLDAAVEYINEAQRIMKKSL

General information: TITO was launched using: RESULT: Template: 4RKN.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 : 382 36739 96.18 280.45 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 96.18 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_4RKN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RKN-query.scw PDB file : Tito_Scwrl_4RKN.pdb: