Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVIDVGGEVREGEELDIGAVENWLKNQGVEL-VGPAVVT--QYTGGASNWTYRLKYE--------NTNLILRRPPKGTKA--KSAHDMAREYMVQKNLAP-YYPVLPKMVALCQDEAVIGCDFYVMERIEGIIPRAKLPP-----E-LSFNEEDVHELCVNVIDKLIELHQVPYENTPLAELGKGTGYCRRQ---VEGWDKRYEKVHTINVPSFKYVRKWLNDNIPQ---DSTTCIIHNDWRFDNVILNPEHPTEVIGVLDWEMATLGDPLMDLGSALAYWVEPTDNMIFRSTRRQPTHLKGMF---SRKEVVDYYLQKTGLEPQNWTFYEVFGVFRLAVIAQQIYYRYYHKQTRNPAFKDFWIVIHALHIRALKLIAQQKLQESEFAQQSLQKIQGILRR 3ATS Chain:A ((4-329)) ------------------AVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT--DTTLHRHFNWVRSWYDFAVEG-IGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDF---QPVAVLDWEMVALGPRELDVAWMIFAHRVFQELA-------GLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVH--------------------------------------------------

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 : 1296 -31379 -24.21 -107.46 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -24.21 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.363

(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: