Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTKNLLSHEDIQRLVKVNFGEEYEHKIGEIK--ELKGGMFNAIYLIQRVD-------EKNGIVLKVGVAPGRDLLTYEQDIMPTEVACYQLIKEKTSIPIPEILKYDFSKKYIDSNYFFMEELKGVPLSKASK---------LMNKPSLDKIKSKLAEYLVQLHKIEGNYFGYFTDEKKYQYDTWKNAFLSMFGQLLEDCKFHK-VNIPYERIEQALKYNIQFLEEIKKPSLVMFDCHEGNVFVNKRNGEYEIQGIIDFERAFWGDPAADFPAAFIMS--DD-I---R---------KEEAFLASYFEKSDTKKEYTRDDEIRFQMYRMYILTVMAGETFRYGPLYAKMQREWAKSGILKCLEILED 3ATT Chain:A ((5-317)) ------------VISRWLSSVLPGGA-APEVTVESGVDSTGMSSETIILTARWQQDGRSIQQ-KLVARVAPAAE-DVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT----DTTLHR-HFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRD----FQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVE-------LGDLHWFYVYSGVMWA-------------------------------

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 : 1189 -3950 -3.32 -14.41 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -3.32 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.311

(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: