Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------MCKLCQTKKVIVEHTGIGVVFHPCPNCR--SGTDLTPVIQKLEQMLTAGKARLNIYD----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 2XSA Chain:A ((1-447)) MLTGVIEGFYGRDWRRDERATVMDWIAAAGMNTYIYGPKDDVHVRARWRVPYDAAGLARLTELRDAAAARGM-----VFYVSLAPCLDVTYSDPQDRAALLARVDQLARAGLRNLVLLFDDIPSVLPEADRHRFDSFAEAQADLSNMVLRHLRGAGHVVFCPTEYCGRMAGGDPRGSAYLQRLGSTLDPAIDIFWTGPEIVSEEIVAAHLAAVGEVLRRRPVIWDNFHANDYDIRRVFAGPLGGRSRDILPLVAGWITNPNNEAEANFPAIHTTGAYLADPDYAPERAIAAAVAAWQPRFRLAFGDGAVPSDLVALLCDLFWQPFALGPETTRILSALRAALTVPRPDPSDPAWRAALEDLRDLKRRINKLFTLMTEIENRDLFHTFHNYLWEAQEEVGHLVAYCDWLDEAPPPGAVFPATNFYRRGFGVAVQDILQRDRQGRYHHGV

General information: TITO was launched using: RESULT: Template: 2XSA.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 : 96 -20716 -215.79 -414.31 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -215.79 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.636

(partial model without unconserved sides chains): PDB file : Tito_2XSA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XSA-query.scw PDB file : Tito_Scwrl_2XSA.pdb: