Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKQSAGQLFRDAVAQEKPLQVVGTINANHALLAKRAGYKAIYLSGGGVAAGSLGLPDLGISNLDDVLTDVRRITDVCDLPLLVDADTGFGASAFNIARTTKALIKFGAAAMHIEDQVGAKRCGHRPNKAIVTQEEMVDRIKAAVDARGDDSFVIMARTDALAVEGLQAAIDRAGAYIEAGADMLFPEAITELDMYKQFAQKTGVPILANITEFGSTPLFTTEELASADVSLALYPLSAFRAMNKAAETVYETLRKEGTQKNVVDIMQTRKELYERINYYAFEDYLDNAFAKKK 1XG4 Chain:A ((3-287)) ---HSPGKAFRAALTKENPLQIVGTINANHALLAQRAGYQAIYLSGGGVAAGSLGLPDLGISTLDDVLTDIRRITDVCSLPLLVDADIGFGSSAFNVARTVKSMIKAGAAGLHIEDQVGAKRSGHRPNKAIVSKEEMVDRIRAAVDAKTDPDFVIMARTDALAVEGLDAAIERAQAYVEAGAEMLFPEAITELAMYRQFADAVQVPILANITEFGATPLFTTDELRSAHVAMALYPLSAFRAMNRAAEHVYNVLRQEGTQKSVIDTMQTRNELYESINYYQYEEKLDN------

General information: TITO was launched using: RESULT: Template: 1XG4.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 : 1499 -156649 -104.50 -549.64 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.95 3D Compatibility (PKB) : -104.50 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.95 QMean score : 0.615

(partial model without unconserved sides chains): PDB file : Tito_1XG4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XG4-query.scw PDB file : Tito_Scwrl_1XG4.pdb: