Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVGLVGWRGMVGSVLMQRMVEENDFAHIEPFYFSTSNAGGEAPSFGGKTAPALMEATDITSLKQMDVIITCQGGDYTSEVFPKLKATGWDGYWIDAASTLRMTDDAIIVLDPVNLNVIKDGLAKGTKTFVGGNCTVSLMLMGVGALFQNNLVEWMTAMTYQAASGAGAQNMRELLTGMGYLYNNTKTLLDDPKSAILDIDRQVAELQRGEGFPSANFGVPLAGSLIPYIDKQLESGQSKEEWKGLVETNKILG-NSQIVPIDGHCVRIGAMRCHSQALNIKLKKDVPLDEIEDMIRNSNQWAKVVPNTREASMTDLTPVAVTGTLTVPVGRLRKLNMGKEYLGAFTVGDQLLWGAAEPLRRMLRILVEYKSS 3Q0E Chain:B ((1-369)) MRVGLVGWRGMVGSVLMQRMVEERDFDLIEPVFFSTSQIGVPAPNFG-KDAGMLHDAFDIESLKQLDAVITCQGGSYTEKVYPALRQAGWKGYWIDAASTLRMDKEAIITLDPVNLKQILHGIHHGTKTFVGGNCTVSLMLMALGGLYERGLVEWMSAMTYQAASGAGAQNMRELISQMGVINDAVSSELANPASSILDIDKKVAETMRSGSFPTDNFGVPLAGSLIPWIDVKRDNGQSKEEWKAGVEANKILGLQDSPVPIDGTCVRIGAMRCHSQALTIKLKQNIPLDEIEEMIATHNDWVKVIPNERDITARELTPAKVTGTLSVPVGRLRKMAMGDDFLNAFTVGDQLLWGAAEPLRRTLRIILAE---

General information: TITO was launched using: RESULT: Template: 3Q0E.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2005 -149967 -74.80 -407.52 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -74.80 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_3Q0E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q0E-query.scw PDB file : Tito_Scwrl_3Q0E.pdb: