Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIIRIETSRIAVPLTKPFKTALRTVYTAESVIVRITYDSGAVGWGEAPPTLVITGDSMDSIESAIHHVLKPALLGKSLAGYEAILHDIQHLLTGNMSAKAAVEMALYDGWAQMCGLPLYQMLGGYRD-TLETDYTVSVNSPEEMAADAENYLKQGFQTLKIKVGKDDIATDIARIQEIRKRVGSAVKLRLDANQGWRPKEAVTAIRKMEDAGLGIELVEQPVHKDDLAGLKKVTDATDTPIMADESVFTPRQAFEVLQTRSADLINIKLMKAGGISGAEKINAMAEACGVECMVGSMIETKLGITAAAHFAASKRNITRFDFDAPLMLKTDVFNGGITYSG-STISMPGKPGLGIIGAALLKGEKEQ 3Q4D Chain:I ((1-351)) MIITQVELYKSPVKLKEPFKISLGILTHANNVIVRIHTASGHIGYGECSPFMTIHGESMDT-AFIVGQYLAKGLIGTSCLDIVSNSLLMDAIIYGNSCIKSAFNIALYDLAAQHAGLPLYAFLGGKKDKIIQTDYTVSIDEPHKMAADAVQIKKNGFEIIKVKVGGSK-ELDVERIRMIREAAGDSITLRIDANQGWSVETAIETLTLLEP--YNIQHCEEPVSRNLYTALPKIRQACRIPIMADESCCNSFDAERLIQIQACDSFNLKLSKSAGITNALNIIRLAEQAHMPVQVGGFLESRLGFTAAAHVALVSKTICYYDFDTPLMFEADPVRGGIVYQQRGIIEVPETAGLG-------------

General information: TITO was launched using: RESULT: Template: 3Q4D.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 2155 -198551 -92.13 -568.91 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain I : 0.81 3D Compatibility (PKB) : -92.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3Q4D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q4D-query.scw PDB file : Tito_Scwrl_3Q4D.pdb: