Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKKTWKRFLHFSSAALAAGLIFTSAAPAEAAFWGASNELLHDPTMIKEGSSWYALGTGLTEERGLRVLKSSDAKNWTVQKSIFTTPLSWWSNYVPNYGQNQ-WAPDIQYYNGKYWLYYSVSSFGSNTSAIGLASSTSISSGG----WKDEGLVIRSTSSNNYNAIDPELTFDKDGNPWLAFGSFWSGIKLTKLDKSTMKPTG--SLYSIAARPNNGGALEAPTLTYQNGYYYLMVSFDKCCDGVNSTYKIAYGRSKSITGPYLDKSGKSMLEGGGTILDSGNDQWKGPGGQDIVNGN---ILVRHAYDANDNGIPKLLINDLNW-SSGWPSY 3D61 Chain:A ((25-310)) ------------------------------------------HDPVIAKEGSRWYVFHTG----SGIQIKTSEDGVHWENMGWVFPSLPDWYKQYVPEKDEDHLWAPDICFYNGIYYLYYSVSTFGKNTSVIGLATNQTLDPRDPDYEWKDMGPVIHSTASDNYNAIAPNVVFDQEGQPWLSFGSFWSGIQLIQLDTETMKPAAQAELLTIASRGEEPNAIEAPFIVCRNGYYYLFVSFDFCCRGIESTYKIAVGRSKDITGPYVDKNGVSMMQGGGTILDEGNDRWIGPGHCAVYFSGVSAILVNHAYDALKNGEPTLQIRPLYWDDEGWP--

General information: TITO was launched using: RESULT: Template: 3D61.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 : 1611 5853 3.63 21.28 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 3.63 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.661

(partial model without unconserved sides chains): PDB file : Tito_3D61.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D61-query.scw PDB file : Tito_Scwrl_3D61.pdb: