Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSAYNELPRTPANFVALSPLRYLERAAYIYPDQASIIHGNRQISWKQTYQRCRQFASQLQQLGIVKNDTVSVLLPNVPAMIEAHFAVPMAGAVLNTLNTRLDAKTIAFMLEHAETKVLLVDPEFVNLARE-ALSLIPNQH-IIVIDVADEEYEGENQFLGSFEYEEWLAQGDANFEWQLPEDEWDAISLNYTSGTTGNPKGVVYHHRGAYLNAASNILACGMKPRAVYLWTLPLFHCNGWCFA-WSIAASGGTNICLRKVDPELVMQLIAKHKVDYFCGAPIVLSMIINLPKEKQPSIEHHVEVMVAG--AAPPVAVIEGMRNIGINVNHVYGLTETYGPSALCASQAGWSDLSITEQAQLHSRQGVPYPLQDSMRVLDPETMQPVPNDGETMGEIMFRGNIVMKGYLKNPKATEEAFAGGWFHTGDLAVCHPDGYAKITDRSKDIIISGGENISSLEVEDVLYKHPAVLTAAVVAKPDERWQEVPCAFIELKTEASVTPEEIIEHCQKELARFKVPKDVV-ITEIPKTSTGKLQKFILREWAKERA 5UPS Chain:B ((6-512)) ----------------HTTIGDVLREHRRSHPGRTALVDGPVRLTWPELDDRVNRLAGSLAASGIGRGDRIMWLGQNSFRVYELIAAAGKLGAMVCVGYWRWAPPEMEFALRDFDPHLVVWQHQEIHETVARTREALGSDDTARWLRHDSAP-------QDPDGYEAFLAAGG-LADPDLDIDPDSPVLVLYTAAMSGRQCGSLLSHTNLIAMATAAAWLGDIDHTTAFLNSGPMFHIGNHQFWGMPTLLMAGKNVIVRRVVAEEVRDLLVAEECTHAFLMPPTVAEIVRLNRDTGHDLSRLRATVAPHLWEGMATTDTSRFTRSGAAAGRGYGQTELSGFAVTAAYGG-----------PAAGNAGRPGPG-LTVRVLDTA-GRECAVG--EAGEICARGTVVHRGYWNRDEVNAHRFRSGWWHTTDLGRREPDGSLTFLGTTTRMLKSAAENIFPAEVENCIEQHPAVREAAVIGVPNTRWAQDVKAVVVLEPDAGVSEQEIIDHCRPRIASYKKPKSVAFAAALPRTVSGARDYDALDKEYGG--

General information: TITO was launched using: RESULT: Template: 5UPS.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 : 3043 -132749 -43.62 -264.97 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -43.62 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_5UPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UPS-query.scw PDB file : Tito_Scwrl_5UPS.pdb: