Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASAARPIRDYLPGLLVLAGGLYTVYYYYMYWIRVYGALCLPGYGDPVKVEVTQGIWIRLDAILFPTVFGVILALLGVMLVWKKKFGAAVVALVLSATVINWPAFIMIAGGALLGLLFWRKTLLPTIDLPDETMEWVDAEAGL--SVLKSFR--RLPSERLAYSFHNEGG---------GRFVVKETSSA--------ESAERETRVLNAAAE-NGLPAPEAKATD-G-----R-FLLMPQLDGFPFLQP---------------LDFEAWTDEIAGILTTTHSAPKPDMKAR---RRP---AEP---VIPDRAF-------DRANWERAARIFREETA----DAVPVFVHGDFEPANVLFSGGRATGLTGWDHAGSGPAQLDVGRMRVALELIHGG------------NVADRFLAKYKNLSKDRSFRYSRYWDLLAVYGWLEQDPGSIASHWRRFGITTLSEDEVMRRLERFVKTLTDKE 3ATS Chain:A ((4-327)) ----------------------------------------------------------------------------------------------------------------------------------AVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT---DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGV-ELGDLHWFYVYSGVMWAC-VFMRTGARR----------------------------

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 : 957 -16923 -17.68 -69.64 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -17.68 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.255

(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: