Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRKLIIFLLMLPLFVLWLELHVLVNNLLLNLESPLDFVISMSLAFFVLILSKIVLDILYALKDLYKKEALITIFPFIFIRRKKVNVRFSPYFSFHRKSLSPDDLRSRIIWSFILEIAIILVFILKIPFAIIMLTTIFFWTIMDINHLVFNKTEFLFNQSKWEKEDSFESDLTNTLKDKIQKSE-------LSYSDLMSLQLYDAMNQSTFLTDSELFEDILKKIEDSHNTLLCTGLVELLLYEMSISNNNNWSNKVDKIRIHLIRINQLDFFYYTSWLRQNFDFCMNREYHKMKSRKLLLSNKKIV 5SZK Chain:A ((60-150)) -----------------------------------------------------------------------------------------------------------------------------------------WFKLVLEKNKLMRYESELLIMAQELELEDH-QSRLEQKLREKMLKEESQKDEKDLNEEQEVFTELMQVIEQRDKLVDSLEEQRIREKAEDQH------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5SZK.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 : 112 13269 118.47 157.96 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : 118.47 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_5SZK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5SZK-query.scw PDB file : Tito_Scwrl_5SZK.pdb: