Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSAYNELPRTPANFVALSPLRYLERAAYIYPDQASIIHGNRQISWKQTYQRCRQFASQLQQLGIVKNDTVSVLLPNVPAMIEAHFAVPMAGAVLNTLNTRLDAKTIAFMLEHAETKVLLVDPEFVNLAREALSLIPNQHIIVIDVADEEYEGENQFLGSFEYEEWLAQGDANFEWQLPEDEWDAISLNYTSGTTGNPKGVVYHHRGAYLNAASNILACGMKPRAVYLWTLPLFHCNGWCFAWSIAASGGTNICLRKVDPELVMQLIAKHKVDYFCGAPIVLSMIINLPKEKQPSIEHHVEVMVAGAAPPVAVIEGMRNI--GINVNHVYGLTETYGPSALCASQAGWSDLSITEQAQLHSRQGVPYPLQDSMRVLDPETMQPVPNDGETMGEIMFRGNIVMKGYLKNPKATEEAFAGGWFHTGDLAVCHPDGYAKITDRSKDIIISGGENISSLEVEDVLYKHPAVLTAAVVAKPDERWQEVPCAFIELKTEASVTPEEIIEHCQKELARFKVPKDVVITEIPKTSTGKLQKFILREWAKERA 3IVR Chain:A ((6-397)) -----------------FTLADVYRRNAALFPDRTAFMVDGVRLTHRDYLARAERLASGLLRDGVHTGDRVAILSQNCSEMIELIGAVALIGAILLPVNYRLNADEIAFVLGDGAPSVVVAGTDYRDIVAGVLPSLGGV-KKAYAIGDGS-------GPFAPFKDLASDT---PFSAPEFGAADGFVIIHTAA--GRPRGALISQGNLLIAQSSLVDAWRLTEADVNLGMLPLFHVTGLGLMLTLQQAGGASVIAAKFDPAQAARDIEAHKVTVMAEFAPMLGNILDQAAP--AQLASLRAV-TGL--DTPETIERFEATCPNATFWATFGQSETSGLSTFAPYRD------------RPKSAGRPLFW-RTVAVVDAE-DRPLPP--GEVGEIVLRGPTVFKGYWNNAAATQHAFRNGWHHTGDMGRFDADGYLFYAGRA-------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IVR.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 : 2371 -264134 -111.40 -680.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -111.40 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_3IVR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IVR-query.scw PDB file : Tito_Scwrl_3IVR.pdb: