Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIQIKQRPLLTRPEQFQGVPPFIAEILARRGVQSEQELELKLKNLLAPELKGLDAAVALMDQAIDEQKKIVIVGDYDADGATSTALMMLVLRDMGAQVDYLVPDRFKYGYGLTPAIAELAHHTYQPDLLITVDNGISSHAGVDAAHALGMQVIITDHHLTTKETPLAEAVVNPNQLGCEFPSKALAGVGVAFYVLANLASLRNRQGKSTSKVTQYLDLVALGTYADVAVLDYNNRILVDAGVKRIQQHQCRVGILALLDIAGREATSIRAQDLGFVLGPRINAAGRMESMRIGIECLLADTMETAYPIAQQLNQLNIDRRQIEGEMKQQALSALDSLQLSQQDIPAALVLFEENWHQGVIGIVAGRLKEQFHRPTIVFAPDEDGIHIKGSARSIDGVHIRDTIEQVAEQHPELVSHFGGHAAAAGLTIRKENFEAFKTVFNDCVAAMDESIFQATLWTDGELPVSALQLDTLNWIEQLGPWGQKFPLPQFEGYFKVIDFRWLKETHLKLRLAIDQYSFDAIAFNAAGRFEFDPMRDHVHLVYEIDRNVFNGNVSLQLRIVHLNQ 1IR6 Chain:A ((34-394)) ---------------------------------------------------------------------KRIRVHGDYDADGLTGTAILVRGLAALGADVHPFIPHRLEEGYGVL--MERVPEHLEASDLFLTVDCGITNHAELRELLENGVEVIVTDHH-TPGKTPPPGLVVHP-ALTPDLKEKP-TGAGVAFLL---LWALHERLGLPPP--LEYADLAAVGTIADVAPLWGWNRALVKEGLARIPASSW-VGLRLLAEAVGYTGKAV---EVAFRIAPRINAASRLGEAEKALRLLLTDDAAEAQALVGELHRLNARRQTLEEAMLRKLLPQADPEA-------KAIVLLDPEGHPGVMGIVASRILEATLRPVFLVA------QGKGTVRSLAPISAVEALRSAE----DLLLRYGGHKEAAGFAMDEALFPAFKARVEAYAARFPDPVREVALLD--L-------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1IR6.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 : 2037 -215787 -105.93 -597.75 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -105.93 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_1IR6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IR6-query.scw PDB file : Tito_Scwrl_1IR6.pdb: