Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSYAHLNHYISPSAEAGLSDAWRRSLGRLGDYSAILIRSLNLRPLEVSLHDQTEEHILVRIRLPGSYLILRVAPEDDLAAYVYQIRTLNGH-NIPAPQIIQRDLSRSLVPFAFTLESYVPGVTAIELQ------------SAPLLRGAGRQAGRALRRMHRIPVTSAGRPTASGRWTQQNWRTVLRQIGRRLAAPPADALIFGEREQRVVADLLDHPVLECQ--QPSLIHGRFSPRAVRCTSSGNVHVEALIDPGHYVGGDGLYDLACGLCAAYPEPWREGLLDGYQSAGPLNEAERRRLPLLQLLT------NYWEACRLYMHAEPHEAARSEAIRL--------MEEQVGLTRLVSV------ 3ATS Chain:A ((1-357)) -TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQ----DGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTD-----TTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDF---QPVAVLDWEMVALGPRELDVAW-MIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKPDDVESLFYHAGLMKHLLGEEH

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 : 1536 -59173 -38.52 -186.67 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -38.52 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.260

(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: