Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRIALLPGDGIGPEVLESATDVLKSVAERFNHEFEFEYGLIGGAAIDEHHNPLPEETVAACKNADAILLGAVGGPKWDQNPSELRPEKG-LLSIRKQLDLFANLRPVKVFESLSDASPLKKEYID-NVDFVIVRELTGGLYFGQPSKRYVNTEGE-QEAVDTLFYKRTEIERVIREGFKMAAARKGKVTSVDKANVLESSRLWREVAEDVAQEFPDVKLEHMLVDNAAMQLIYAPNQFDVVVTENMFGDILSDEASMLTGSLGMLPSASLSSSGLHLFEPVHGSAPDIAGKGMANPFAAILSAAMLLRTSFGLEEEAKAVEDAVNKVLASGKRTRDLARSEEFSSTQA-------ITEEVKAAIMSENTISNV 3VML Chain:A ((15-374)) ---QIAVLAGDGIGPEVMAEARKVLKAVEARFGLNIEYTEYDVGGIAIDNHGCPLPEATLKGCEAADAVLFGSVGGPKWEHLPPNDQPERGALLPLRGHFELFCNMRPAKLHPGLEHMSPLRSDISEKGFDILCVRELTGGIYFGKPKGR--QGEGENEEAFDTMRYSRKEIRRIAKIAFESAQGRRKKVTSVDKANVLACSVLWREVVEEVAKDYPDVELEHIYIDNATMQLLRRPNEFDVMLCSNLFGDIVSDEIAMLTGSMGLLASISMNSQGFGMYEPAGGSAPDIAGQGIANPVAQILSAALLLRHSLKLEDAALAIEAAVSKALNSGYLTGELLSSDQRHKAKTTVQMGDFIADAVKAG----------

General information: TITO was launched using: RESULT: Template: 3VML.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 : 1984 -34077 -17.18 -97.36 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -17.18 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.653

(partial model without unconserved sides chains): PDB file : Tito_3VML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VML-query.scw PDB file : Tito_Scwrl_3VML.pdb: