Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYNSIAKVRKLIRRSVLLLKFISWNVNGLRAIVNKNFLEVFHELDADFFCLQETKLQAGQIDLDLP---GYYQYWNYAERKGYSGTAIFAKKPALNATYGMGIDIHDTEGRLITLEYSDFFLVTCYTPNSQSELKRLDYRLEWEEAFYNYLENLKKQ-KPVIVCGDLNVAHQKIDLKNWKTNQKNAGFTPEERAALSRLLDN-GFIDTFRYFYPTQEGVYSWWNYRFNSRKNNAGWRIDYFLTSKDLEPGLADAKIHTDIMGSDHCPVELDLK 4B5M Chain:C ((1-253)) ------------------MLKIISANVNGIRSAYKKGFYEYIAASGADIVCVQELKAQEADLSADMKNPHGMHGHWHCAEKRGYSGVAVYSKRKPDNVQIGMGIEEFDREGRFVRCDFGRLSVISLYLPSGSSAEERQQVKYRFLDAFYPMLEAMKNEGRDIVVCGDWNIAHQNIDLKNWKGNQKNSGFLPEEREWIGKVIHKLGWTDMWRTLYPDVPG-YTWWSNRGQAYAKDVGWRIDYQMVTPELAAKAVSAHVYKDEKFSDHAPLVVE--

General information: TITO was launched using: RESULT: Template: 4B5M.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1327 -1670 -1.26 -6.73 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.80 3D Compatibility (PKB) : -1.26 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_4B5M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B5M-query.scw PDB file : Tito_Scwrl_4B5M.pdb: