Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLETRQLQQLLSAKNQLPEV----VLLKATTTSTN----DDIREIAQKGITTGLVCSAQ-QTQGRGQHQRQWISPEG-NIYLSTLVQTRTPLDGRLALEVALNILQIPQLQPLS---LQVKWPNDLYSTQGKWGGILVEPLSQ-HQAIVGVGINLKTPPVTDSDQPITSLEDLGLEQMSRLELISELYVAIQNAARWFD-HGCYNLAGRFNYHAAWLNQLVQFEHSQGLVYGRFVGISNEGAVILETPEPQQFYQGRLRPQTTQ 1BIA Chain:A ((65-301)) ---------QLLNAKQILGQLDGGSVAVLPVIDSTNQYLLDRIGEL-----KSGDACIAEYQQAG---------SPFGANLYLSMFWRLEQ-PAAAIGLSLVIGIVMAEVLRKLGADKVRVKWPNDLYLQDRKLAGILVELTG-AAQIVIGAGINMAM---------WITLQEAGI-NLDRNTLAAMLIRELRAALELFEQEGLAPYLSRWEKLDNFINRPVKLIIGDKEIFGISRGIDKQGALLLE------------------

General information: TITO was launched using: RESULT: Template: 1BIA.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 : 1015 -24449 -24.09 -124.11 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -24.09 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_1BIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BIA-query.scw PDB file : Tito_Scwrl_1BIA.pdb: