Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKKDAKIYVAGHRGMVGSAIVRELNRQGYNNIITRTHKELDLCRQDQVEEFFAEEKPDYVFLAAAKVGGIVANQSALADFMYDNMILEMNVIHSAWKNGCKKLQFLGSSCIYPRMAPQPMPESCLLTSELEKTNEAYALAKISGLKYCEFLNKQYGTDYISVMPTNLYGPNDNYHPTHSHVLPALIRRFHEAKEAGLPTVTCWGDGSPLREFLYVDDFANLCVFLM---------NNYSGDETVNAGTGKELSIKELTEIVAKIIGYEGEILWDTSKPNGTPRKLLDVSKATKLGWTYKTELEDGIRLSYEDFLNNPMRAER 1BWS Chain:A ((5-316)) ------RVFIAGHRGMVGSAIRRQLEQRGDVELVLRTRDELNLLDSRAVHDFFASERIDQVYLAAAKVGGIVANNTYPADFIYQNMMIESNIIHAAHQNDVNKLLFLGSSCIYPKLAKQPMAESELLQGTLEPTNEPYAIAKIAGIKLCESYNRQYGRDYRSVMPTNLYGPHDNFHPSNSHVIPALLRRFHEATAQNAPDVVVWGSGTPMREFLHVDDMAAASIHVMELAHEVWLENTQPMLSHINVGTGVDCTIRDLAQTIAKVVGYKGRVVFDASKPDGTPRKLLDVTRLHQLGWYHEISLEAGLASTYQWFLENQ-----

General information: TITO was launched using: RESULT: Template: 1BWS.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 : 1582 -104398 -65.99 -344.55 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -65.99 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_1BWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BWS-query.scw PDB file : Tito_Scwrl_1BWS.pdb: