Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKRTFLFTIIAATLSTVYAAPLTKDNGAPVGDNQNSTTAGANGATLLQDVQLIQKLQRFGRERIPERVVHARGTGVYGEFVSTKDLSDLTLASLFK-AGTKTPVFVRFSTVIHPKGSPETARDPHGFAVKFYTQQGNWDLVGNNLPVFFIRDAIKFPDFVHAMKPDPVTNVQDPNRIFDFLQSQPWSINMLTYVYSNLGTAESYRTLDGFGVHAFKLYNDKGEYKYVKFNWRSQQGVKGLNLEQVREVQGRDWSHLTNDMYKNIYAGNYPKWDLYIQVLDPKDLDKFDFNPLDATKIWPNELVPEFKVGTLTLNRMPKNFFQETEQSAFAPGNLIPGIEPSEDRLLQGRVFSYSDTQLYRLGVNYQQIPVNRP-RVAVNNNNQEGFMNMGQTESHV-NYEPSQIEPKPATEKARAVQTPLEGTVMQHAIQKQQPYKQAGDLY-RSYSALEKKDLIRNLAADLGQVKNVETKTVMLSYFYKADADYGTRLAKAAQLKDE 8CAT Chain:B ((26-492)) ----------------------LTTGGGNPVGDKLNSLTVGPRGPLLVQDVVFTDEMAHFDRERIPERVVHAKGAGAFGYFEVTHDITRYSKAKVFEHIGKRTPIAVRFSTVAGESGSADTVRDPRGFAVKFYTEDGNWDLVGNNTPIFFIRDALLFPSFIHSQKRNPQTHLKDPDMVWDFWSLRPESLHQVSFLFSDRGIPDGHRHMDGYGSHTFKLVNADGEAVYCKFHYKTDQGIKNLSVEDAARLAHEDPDYGLRDLFNAIATGNYPSWTLYIQVMTFSEAEIFPFNPFDLTKVWPHGDYPLIPVGKLVLNRNPVNYFAEVEQLAFDPSNMPPGIEPSPDKMLQGRLFAYPDTHRHRLGPNYLQIPVNCPYRARVANYQRDGPMCMMDNQGGAPNYYPNSFSAPEHQPSALEHRTHFSGDVQRFNSANDDNVTQVRTFYLKVLNEEQRKRLCENIAGHLKDAQLFIQKKAVKN-FSDVHPEYGSRI---------

General information: TITO was launched using: RESULT: Template: 8CAT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2266 7300 3.22 15.77 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 3.22 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_8CAT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-8CAT-query.scw PDB file : Tito_Scwrl_8CAT.pdb: