Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREPSSLQERDPDPFSEQMIALMVAAAGIE--CEVLDAE--PLRTGSA-TTYRVDVRDQE---GDRRTVVFKAAVEGD------ATGLRREPALLRYVADHTSIPVPDVYGSHLQPDDLPAPSFVMEHVEGGSPTQASAREN---GDTGWPDGILDDIVRQAGRHLAALHDCGPVSGFGPITVDDGTLTVTDPASSWQSWLWELAAEIEGDTRLDGLASTVQSVLDSEIPEL-PDVDPVLAHYDYQPRNVVVDEGAGRVRAVLDWGGARSVHDEFELAVTEQYCSGWAPLGSD---KRQ---RVRASLYEGYRDRRSLATDEAFRRRRRLYLLLSTVASLSWAPYWSGPRAERFVASQRSLVESLLDQGP 3ATT Chain:A ((5-319)) ------------------VISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSI-PNAQNTFSFLT------DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYR--DFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVEL-----GDLHWFYVYSGVMWACV----------------------------

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 : 1277 -15145 -11.86 -52.95 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -11.86 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.355

(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: