Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MKRKLTICLLIALIFYNGNAKAAERGSLEELNDL-SDTVFQMTRQAKYEEALQVLEYFEKTLKSAEKKQQDPMLTGAQIRQITLGYNDMVRSLKQADTSDTQKLRAAAQFRMLMDAVDNRSDPLWGSLEKPIMEAFTELKRDVQKNGSTSFHEKWNEFISLYDLIYPSLTIDVSEDQLETVGKHIDVIEQEEFQQMTESTKLERLSLLQHDLKNVFDRVEEDDADPSLLWVIITTGSIIITALTYVGYRKYKAEKNKLKKRDYPK- 4LEU Chain:A ((71-252)) KLIGKEALFVILGLKRLKEDDEKLDKFIKTHVFRLLKLDMLAVIGELERQEETALAIKMFEVIQKQEWYQPD-----------VFMYKDLIVSLAK-----SKRMDEAMALWEKMKKENLFPD----------SQTYTEVIRGFLRDGC------------------PADAMNVYEDMLKSPDPP----EELPFRVLLKG--LLPHPLLRNKVKKDFEELFPEKHAY-----------------------------------DPPEE

General information: TITO was launched using: RESULT: Template: 4LEU.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 : 743 72381 97.42 404.36 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 97.42 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_4LEU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LEU-query.scw PDB file : Tito_Scwrl_4LEU.pdb: