Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFVDEAVITVEAGDGGNGVASFRREKFVPFGGPDGGDGGRGGSIYIQADDDTSTLVDYRYTRKLRAERGKNGAGANCTGRGGEDVVLKVPVGTTIVDTDSGDIIGDLVEDGQRVMVASGGEGGLGNTHFKSSTNRAPRKCTTGTKGEFREIRLELKVLADVGLLGMPNAGKSTFIRAVSAAKPKVADYPFTTMVPNLGVVDADRHRSFVMADIPGLIEGAAEGAG-LGIRFLKHLARTR-ILLHIIDVQPIDGSDPAHNAKAIMNELAKFSPTLANLPIVLVLNKLDQIAEES----REEWCQHILDELQWTGPVFKTSGLLEEGTKEVVYYLMDQIEQQREREVEDPEYAAEVRAFREQLEAETREQTIAAKEAYRAMRKAQRLESMMDDDDDFDDDEDDGDVESIYVRD 2QU8 Chain:A ((32-176)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------IILSGAPNVGKSSFMNIVSRANVDVQSY-----NLYVGHFDHKLNK-YQIIDTPGLLDRAFENRNTIEMTTITALAHINGVILFIIDISEQCGL----TIKEQINLFYSIKSVF-NKSIVIGFNKIDKCN--SLSIDNKLLIKQILDNVK-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QU8.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 : 564 -32066 -56.85 -244.77 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -56.85 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_2QU8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QU8-query.scw PDB file : Tito_Scwrl_2QU8.pdb: