Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQPPPDVEGDDCLPAYRHLFCPDLLRDKVAFITGGGSGIGFRIAEIFMRHGCHTVIASRSLPRVLTAARKLAGATGRRCLPLSMDVRAPPAVMAAVDQALKEFGRIDILINCAAGNFLCPAGALSFNAFKTVMDIDTSGTFNVSRVLYEKFFRD-HGGVIVNITATLGNRGQALQVHAGSAKAAVDAMTRHLAVEWG-PQNIRVNSLAPGPISGTEGLRRLGGPQASLSTKVTASPLQRLGNKTEIAHSVLYLASPLASYVTGAVLVADGGAWLTFPNGVKGLPDFASFSAKL 5G4K Chain:B ((34-284)) ----------------------MFSVKGKVALVTGATGALGCVLSKAYGYAGAKVFMTGRNEKKLQALEAEFKA-EGIDCAYGVADPADEAQVDAMITACVAQYGEVNILAVTHGFNKPQNILEQSVADWQYIMDADCKSVYVVCKYVAQQMVDQGKGGKIVVVTSQRSKRGMAGYTGYCTSKGGADLMVSSMACDLSAKYGINVNSICPTVFRSDLTEWMFDPESAVYQNFLKREPIGRLAEPEDFVGYALFLSSDASNYITGANCDCSGGYL--------------------

General information: TITO was launched using: RESULT: Template: 5G4K.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1331 -123020 -92.43 -494.05 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -92.43 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_5G4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5g4k-query.scw PDB file : Tito_Scwrl_5G4K.pdb: