Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDD----TMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS 4ZZN Chain:A ((9-345)) -------------------------FDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEH-QTYCQRTLREIKILLRFRHENIIGINDIIRAPTI-EQMKDVYIVQDLMETDLYKLLKT--QHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPS-QEDLN---------CIINL------KARNYLLSLP--------------------HKN----KVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDE---PIAEAPF------DDLPKEKLKELIFEETARFQ-----

General information: TITO was launched using: RESULT: Template: 4ZZN.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 : 1662 -129251 -77.77 -395.26 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -77.77 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_4ZZN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZZN-query.scw PDB file : Tito_Scwrl_4ZZN.pdb: