Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSRDYNCTTDDQLA----------W--GIPSISHAWGLWALLGVVTVLLLISLAALLSQWTRGRRRN---QEGQGPLSGRSAEEVPLYGNLHYLQTGRLS---QEPRSEEQDPPSSGGLARGAEEAMCYT---SLQLRPAQGRIPSSGNPIKYCEVVLDSEPKPQ---APGPEPELYASVCAQTRRGRASFPDQAYANSQPAPS------------------------ 5UAO Chain:A ((21-539)) PADDDPGAIRTVGVIGGGTAGYLTALALKAKRPWLDVALVESADIPIIGVGEATVSYMVMFLHHYLGIDPAEFYQHVRPTWKLGIRFEWGSRPEGFVAPFDWGTGSVGLVGSLRETGNVNEATLQAMLMTEDRVPVYRGEGGHVSLMKYLPFAYHMDNARLVRYLTELAARRGVRHVDATVAEVRLDGPDHVGGLITTDGRRLHYDFYVDCTGFRSLLLEKALGIPFESYASSLFTDAAVTGTLAHGGHLKPYTTATTMNAGWCWTIPTPESDHLGYVFSSAAIDPDDAAAEMARRFPGVTREALVRFRSGRHREAWRGNVMAVGNSYAFVEPLESSGLLMIATAVQILVSLLPSSRRDPLPSDAANQALAHRWDAIRWFLSIHYRFNGRLDTPFWKEARAETDISGIEPLLRLFAAGAPLTGRDSFTRYLADGAAPLFYG-LEGVDTLLLGQEVPARLLPPREPPEQWRARAAAARSLASRGLRQSEALDAYAADPCLNAELLSDSDSWAGERVAVRAG

General information: TITO was launched using: RESULT: Template: 5UAO.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 : 716 6910 9.65 38.60 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 9.65 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.273

(partial model without unconserved sides chains): PDB file : Tito_5UAO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UAO-query.scw PDB file : Tito_Scwrl_5UAO.pdb: