Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGAAFVKKEGLKQKALEIGRVPTHLKLEIEDYGGDDK-RAHFCWADP-QDENTGIIVELGPDGELESLSRDIEPESGERLSEEKLEDIMRQFVETHHPGALSAFVREENDRAYGDKVRFSYVQMEAGLPLPMSGFMADVS-LSGEIVYFRYYGEAGSIIKPKRVADVEEALAFIKKDVEFDLLFEVLHRSVYKNGDDQPHLVYEPEGRAITVPADLVQEEQAVDDDDDYREPESFPLPLFEGIREKADPDSMIGIENGFVKEREADLGDGRIGIVWRNPDDPVYQPADKSMDSWFKGRTHQVLKTIYNKETGKLEGVMSFMEKKGPLTVTLAECEKIALRFLFALFPNADQYFRIRYDEKDEEENAVAGFTFEAHCHGVPLRFGQIRICVSRQTGYITVYMGPDIDPNKLATIDPVPAISVEQAKSIFWQHFKVELGWEREYGDDEEHSYRLVYK--PVYPHFIDAHTGEPVFSIW 3AU7 Chain:A ((20-402)) -----HMRVWVGID-----TYLAVLAMERVERELGKVIGFPRLIRLNPTINGAVSFLVEVDDVGELVDVVNEVIIEPGAVFVDEELAVKLKPFADKAIKDVLQIDEALFVIGKYF--IPHLRHKKGRGLIGALAAVGAELEDFTLELIAYRYPERFGT----EREYDEESFFDMDYEL----------YPQTFDNVD-------WCNDVVVCIPNT--------------------PCPVLYGIRGE-SVEALYKAMESVKTEPV-----DRRMIFVTNHATDMHLIGEEEVHRLENYRSYRLRGRVTLEPYDI---------EGGHVFFEIDT------------------------------------------------KFGSVKCAAFEPTKQFRNVI------RLLRKGDVVEVYGSMKKDTINLEKIQIVELAEGSERELQPGFYEVPPSARRHLSKPLIRMNVEGRHIFR

General information: TITO was launched using: RESULT: Template: 3AU7.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 : 1988 -124588 -62.67 -355.96 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -62.67 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.221

(partial model without unconserved sides chains): PDB file : Tito_3AU7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AU7-query.scw PDB file : Tito_Scwrl_3AU7.pdb: