Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSAYNELPRTPANFVALSPLRYLERAAYIYPDQASIIHGNRQISWKQTYQRCRQFASQLQQLGIVKNDTVSVLLPNVPAMIEAHFAVPMAGAVLNTLNTRLDAKTIAFMLEHAETKVLLVDPEFVNLAREALSLIPNQHII-VIDVADEEYEGENQFLGSFEYEEWLAQGDANFEWQLPEDEWDAISLNYTSGTTGNPKGVVYHHRGAYLNAASNILACGMKPRAVYLWTLPLFHCNGWCFAWSIAASGGTNICLRKVDPELVMQLIAKHKVDYFCGAPIVLSMIINLPKEKQPSIEHHVEVMVAGAAPPVAVIEGMRNIGINVNHVYGLTETYGPSALCASQAGWSDLSITEQAQLHSRQGVPYPLQDSMRVLDPETMQPVPNDGETMGEIMFRGNIVMKGYLKNPKATEEAFAGGWFHTGDLAVCHPDGYAKITDRSKDIIISGGENISSLEVEDVLYKHPAVLTAAVVAKPDERWQEVPCAFIELKTEASVTPEEIIEHCQKELARFKVPKD-VVITEIPKTSTGKLQKFILREWAKERA 5X8F Chain:A ((7-481)) ----------------------WLMQRAQLTPERIALIYEDQTVTFAELFAASKRMAEQLAAHSVRKGDTAAILLQNRAEMVYAVHACFLLGVKAVLLNTKLSTHERLFQLEDSGSGFLLTDSSFEKKEYE--------HIVQTIDV-DELMKEAAEEIEIEAY----MQMDAT------------ATLMYTSGTTGKPKGVQQTFGNHYFSAVSSALNLGITEQDRWLIALPLFHISGLSALFKSVIYGMTVVLHQRFSVSDVLHSINRHEVTMISA---VQTMLASLLEETNRCPESIRCILLGGGPAPLPLLEECREKGFPVFQSYGMTETCSQIVTLSPEFSMEKLG---------SAGKPLFSCEIKIERDGQVCEPYEH-----GEIMVKGPNVMKSYFNRESANEASFQNGWLKTGDLGYLDNEGFLYVLDRRSDLIISGGENIYPAEVESVLLSHPAVAEAGVSGAEDKKWGKVPHAYLVL--HKPVSAGELTDYCKERLAKYKRPKKFFVLDRLPRNASNKLLRNQLKDARK---

General information: TITO was launched using: RESULT: Template: 5X8F.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 : 2765 -127568 -46.14 -269.70 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -46.14 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_5X8F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X8F-query.scw PDB file : Tito_Scwrl_5X8F.pdb: