Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLLKSMNRALKYIEENLTNDIDFQEAAKLAFCSEYHFKRMFSFLAGISLSEYIRRRRLTLAAFELKDSNVKVIDIAIKYGYNSPDSFARAFQNLHGINPSKARFNGHSLKAYPRMTFQLTIKGGNEMNYRIEEKEAFRIVGIKKRVPIIFKGINPEIASMWE-SLDEKAINKLKELSNVAPSGLISASTNFSEGRTEENGELDHYIGAATTKRCPD--NFSRLEVPASTWAVFESIGPFPDTLQEVWGRIYSEWFPSSNYEQIEGPEILWNEHKDVTSPSFKSEIWIPITKK 3LUR Chain:A ((4-156)) ---------------------------------------------------------------------------------------------------------------------------------YQLQQLASLTLVGIKETYEN-GRQAQQHIAGFWQRCYQEGVIADLQLKNNGDLAGILGLCIPELDGKMS-------YMIAVTGDNSADIAKYDVITLASSKYMVFEAQGAVPKAVQQKMEEVHHYIHQYQANTVKSAPFFELYQDGDTTSEKYITEIWMPV---

General information: TITO was launched using: RESULT: Template: 3LUR.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 : 695 -65373 -94.06 -435.82 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -94.06 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_3LUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LUR-query.scw PDB file : Tito_Scwrl_3LUR.pdb: