Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVARLAAVAAWVPCRSWGWAAVPFGPHRGLSVLLARIPQRAPRWLPACRQKTSLSFLNRPDLPNLAYKKLKGKSPGIIFIPGYLSYMNGTKALAIEEFCKSLGHACIRFDYSGVGSSDGNSEESTLGKWRKDVLSIIDDLADGPQILVGSSLGGWLMLHAAI------ARPEKVVALIGVATAADTLVTKFNQL-PVELKKEVEMKGVWSMPSKYSEEGVYNVQYSFIKEAEHHCLLHSPIPVNCPIRLLHGMKDDIVPWHTSMQVADRVLSTDVDVILRKHSDHRMREKADIQLLVYTIDDLIDKLSTIVN 3LLC Chain:A ((35-267)) ------------------------------------------------------------------------DERPTCIWLGGYRSDMTGTKALEMDDLAASLGVGAIRFDYSGHGASGGAFRDGTISRWLEEALAVLDHFKPEKAILVGSSMGGWIALRLIQELKARHDNPTQVSGMVLIAPAPDFTSDLIEPLLGDRERAELAENGYFEEVSEYSPEP-NIFTRALMEDGRANRVMAGMIDTGCPVHILQGMADPDVPYQHALKLVEHLPADDVVLTLVRDGDHRLSRPQDIDRMRNAIRAMIE-------

General information: TITO was launched using: RESULT: Template: 3LLC.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 : 1138 -43852 -38.53 -194.04 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -38.53 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_3LLC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3llc-query.scw PDB file : Tito_Scwrl_3LLC.pdb: