Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQDEQVRAWLERELDG--------TVVAFE---RQERWRAAWFAELKNQGELRSYYVRGHRGGNFREMIT---LGQEADINRVLHRH-GVPVPRVHGMIDDPPAI-----VMDRLPGRV-----------NLATALDDAEREAVLDQYVDAMCRMHAIDVNEFGALGLPVPADNRAAALNMYATGERNYRRAKTAPSPMIEFMWRWLCRNVPAGRT--QQGLIQAD--AAQFLFEQGRMTGLIDFEAAYIGDPIAEFAAMR-SRDCEEPLGDIGRIARRYEAVTGEPVDRDAVEFHTAGWSLMTPFQWEDSVRNPAPGDSWLEYFTWLVGCGRWALEAIAAVAGAPLPTVEAPAQRPSSYSSAAYTNLMSLLDEWPTASAYEGFRADSARAVTRFAEHVHAFGADLEGAAVEEISELLGTRQPDLATAEAALEQFVLRASPDLDVALVQYFHRWTQRQQFLIAGTGARHEKLIHLSLQPLTADAWQAEGQSRRHA 3ATS Chain:A ((1-357)) -TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIP---NAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMR-----------------------------------------------EDDVRATYQALTGVELGDL----------------HWFYVYSGVMWACVFMRTGARRVHF-----------GEIEKPDDVESLFYH-----------------------------------------------------------AGLMKHLLGEEH-------

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 : 1525 -18457 -12.10 -58.41 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -12.10 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.227

(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: