Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYLDVIWLLNFCFDALLLLLTAFILKRHVKKRRLVGGAFIGSSIVLLMFTPFSPIVEH--------PAGKLAFSVVIVVVTFGFKRFRFFFQNLFSFYFATFLMGGGIIGAHSLLQSNSIVQNGVMITNQTGFGDPISWLFIVGGFPALWFFSKRRIEDIETKNIQYEERVSVQADLGSQTLHVRGLIDSGNQLYDPLTKTPVMIIYIDKLEPIFGTAETMIIRNTDPLEAI-EQLDDSFRFLDKMRLIPYRGVGQQNQFLLCVKPDHVTIMTKEEMISA--DKCLIGISTTKLSADGEFDAIIHPKMLSGKAVKHVS 4XLG Chain:A ((3-300)) -------------EFQQIPDFYGCYLLQS-ISKRQ---SFYIGSTP-----NPVRRLRQHNGSLSRTKRDGTRPWEMVAIVYGFPSRIAALQFQHAWQH------------GTRYISIHHKLAMITSLLKN--------EYFRYMD--LTLHFFN-QKVEEIWKND-----KFNVSNYTVSLSQDALTEINND-------TIDDIMDVNEKNMELVQNLYSTTLAEKTKTLLLYKEKIDTGINTCQFCNKIIKHNNISENLFAFCRDTSCTFVSHLACAYRYFMSEDTIIPQSPKCPKCYTLLKWCDVIYYSIKLNK---

General information: TITO was launched using: RESULT: Template: 4XLG.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 : 1176 -145062 -123.35 -582.58 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -123.35 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.223

(partial model without unconserved sides chains): PDB file : Tito_4XLG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XLG-query.scw PDB file : Tito_Scwrl_4XLG.pdb: