Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIQIKQRPLLTRPEQFQGVPPFIAEILARRGVQSEQELELKLKNLLAPELKGLDAAVALMDQAIDEQKKIVIVGDYDADGATSTALMMLVLRDMGAQVDYLVPDRFKYGYGLTPAIAELAHHTYQPDLLITVDNGISSHAGVDAAHALGMQVIITDHHLTTKETPLAEAVVNPNQLGCEFPSKALAGVGVAFYVLANLASLRNRQGKSTSKVTQYLDLVALGTYADVAVLDYNNRILVDAGVKRIQQHQCRVGILALLDIAGREATSIRAQDLGFVLGPRINAAGRMESMRIGIECLLADTMETAYPIAQQLNQLNIDRRQIEGEMKQQALSALDSLQLSQQDIPAALVLFEENWHQGVIGIVAGRLKEQFHRPTIVFAPDEDGIHIKGSARSIDGVHIRDTIEQVAEQHPELVSHFGGHAAAAGLTIRKENFEAFKTVFNDCVAAMDESIFQATLWTDGELPVSALQLDTLNWIEQLGPWGQKFPLPQFEGYFKVIDFRWLKE-THLKLRLAIDQYSFDAIAFNAAGRFEFDPMRDHVHLVYEIDRNVFNGNVSLQLRIVHLNQ 2ZXP Chain:A ((73-529)) ---------------------------------------------------------------------KRIRVHGDYDADGLTGTAILVRGLAALGADVHPFIP------------MERVPEHLEASDLFLTVDCGITNHAELRELLENGVEVIVTDHH-TPGKTPPPGLVVHP-ALTPDLKEKP-TGAGVAFLL---LWALHERLGLPPP--LEYADLAAVGTIADVAPLWGWNRALVKEGLARIPASSW-VGLRLLAEAVGYTGKAV---EVAFRIAPRINAASRLGEAEKALRLLLTDDAAEAQALVGELHRLNARRQTLEEAMLRKLLPQADPEA-------KAIVLLDPEGHPGVMGIVASRILEATLRPVFLVA------QGKGTVRSLAPISAVEALRSAE----DLLLRYGGHKEAAGFAMDEALFPAFKARVEAYAARFPDPVREVALLDL--LPEPGLLPQVFRELALLEPYGEGNPEPLFLLFGAPEEARRLGEGRHLAFRLK----GVRVLAWK-QGDLALPP---EVEVAGLLSENAWNGHLAYEVQAVDLRK

General information: TITO was launched using: RESULT: Template: 2ZXP.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 : 2443 -225971 -92.50 -506.66 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -92.50 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_2ZXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZXP-query.scw PDB file : Tito_Scwrl_2ZXP.pdb: