Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDTEEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQKED-IAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK 4RR5 Chain:A ((2-284)) --KTAWVFPGQGSQAVGMGVDLLST-AIAKEKYQQAEEILGWSVVEKCQGDEASLALTQNTQPCLYVIEAILADLLRDKGFQPDYVAGHSLGEYSALYAAGVFDFATGLQLVKQRSEVM---ASASGGMMAALMKFDQTQLQQALTDNTE---VVLANDNSPEQVVISGTVAGVE---AILANVKARRAVPLKVSGAFHSSFMAQPSQSFAQTLTACHFNDATVPVLSNVDPSPTQNGDRLKEKLIQQMTGSVRWRETMVNLGEIGATDYWEVGPGKVLTGLCKRTCPDLNLKNI------------

General information: TITO was launched using: RESULT: Template: 4RR5.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 : 1648 -138152 -83.83 -489.90 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -83.83 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_4RR5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RR5-query.scw PDB file : Tito_Scwrl_4RR5.pdb: