Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPEAQDVAARVAGRLASKRGT-PVSVVSAR--QLPAGASRATYAVDLVDAD---GRIEQVIVRAVPSAA-----DDGGLADEAKVLRAAAD-AGVPVPRILDAAFGGADNPLGFPYLAMEFIAGESIPRRILR-------DGAHATARERFVEQCGRILARVHQIDAVEAPG--LT--ELTDPVEGLRQLFPREF---DAMPAGLVLAVRWLRDNPPAP--SPKTCVVHGDFRLGNLLIDAEGVAAVLDWELVHIGDPIEDLGWLCAKAWRFGGAAPV---AGM---GERAALLDAYAEIAGWRPDEETLRWWELYATVKWGLICAVQANRHLDGVERSVELAAIGRRSAEQEFDALLDLGLVSPEMVEDPLAAGVAAPDEAPHGEPSSLELLEAVAGFLRSDSVTAEMSPQVRFHTRVAGNVVDVVRRQILLGPRQAAESAARLAALGVADQRALCDALWSGELDAADEKVRDAVVADVRARLLVANPRYFAVPHP 3ATT Chain:A ((3-329)) -------PAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETT--GDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSP-LLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVEL--GDLHWFYVYSGVMWACVFMRTGARRVH-------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ATT.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 : 1289 -23862 -18.51 -82.85 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -18.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_3ATT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3att-query.scw PDB file : Tito_Scwrl_3ATT.pdb: