Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MSVELAPALEEVLRPVLGDVTVENLQRLTGGASRTTWAFSAHARSRSGTAHARSESDTAHARSESDTAQTGGAGRPLILRTGARDDIHASMELEAKVQQRAAAA-GAPVPHIVNADNSPAAVGAPYLICDAIAGETIVRRI--------FRGLDDGGRARLLEQCATALAAIHRADPAGIGLTS-----PDDLAGWRSRLDEIGDTT----ATFEWTFRRLADARPEPSPMR---LVHGDFRMGNLIVDESGLAAVLDWELTHIGEIYEDLAWFCIRAWRFGAPETL----GAGGLGSVETFLQAYESAADTSLDRNTFRWWLTVATLRWGVICRHQAERHLSGESPSVELAAIGRRVSETEWDLLELLSGGGPR-- 3ATS Chain:A ((1-357)) TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDG-----RSIQQKLVARVAPAAEDVPVFPT-------------YRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELG--DLHWFYVYSGVMWACVFMRTGARRVHFGEIE------KPDDVESLFYHAGLMKHLLGEEH

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1574 -11183 -7.10 -34.51 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -7.10 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.325

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: