Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAQEIIRYIQTASKKTPVKVYLNVTEP-IEFKE------SKVFGEGSSFVVFGDYETIAPVLEAESEKIIEIEIETAARYSAVPLLDIKKINARIEPGAIIRDQVSIGNNAVIMMGAIINIGAVIGENTMIDMGAVLGGRATVGKNCHIGAGAVLAGVIEPASAKPVIVEDGVLVGANAVIVEGVHIGKDAVVAAGAVVLEDVAAETVVGGIPARVLKISDDQTKENTALIAALREL 3R8Y Chain:A ((17-219)) -------------EKKTPVKVYIKGDLKEVTFPETVQAFVNKKSGV-LFG-EWSEIKT---ILDENSKYIVDYVVENDRRNSAIPMLDLKGIKARIEPGAIIRDHVEIGDNAVIMMNATINIGAVIGEGSMIDMNAVLGGRATVGKNCHVGAGAVLAGVIEPPSAKPVIVEDDVVIGANVVVLEGVTVGKGAVVAAGAVVTEDVPPYTVVAGTPARVIKEI-----------------

General information: TITO was launched using: RESULT: Template: 3R8Y.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 : 1053 -49045 -46.58 -250.23 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -46.58 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_3R8Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R8Y-query.scw PDB file : Tito_Scwrl_3R8Y.pdb: