Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSLATTFDEIRDAYALGRSGPPRQVGERVWHLPTDDGGVAVKLYASG--------HHARAAKEAAVLAHFETH-GDTRFHVQALKRTATGEP----LWTGANAHAMLTRWETGQFRTYDTFS-PAEWDALGASLGALHLSLEQLHLPEVETIRARLTAINADAVRRSLLDALDRARSNHSAENLRRYVDLA------LRMLDRYYPGSINAFPADDPQYPIHNDYNQFNYLFTGTLPPLILDWE-ASIGAP-REYELVRCLNHLPLEAPHL-----------AEAFVLAYRRTRRIDPARIAWAVDAACLQHALKLWIVQGWLDDPSRFASHLNGAVTMASAMVDARDRLVDFFSRCMEAGR 3ATS Chain:A ((1-357)) --TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEK---------PDDVESLFYHAGLMKHLLGEEH

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 : 1547 -42764 -27.64 -134.05 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -27.64 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.160

(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: