Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHPAAQPTNQTSSHSPASPSNTEPCEQQSLKQQLLKQQPLKEQSLKQQSREQQLHTWLNEVFPNQSLQHEKIPGDASFRS-YHRLTVDNQHYIVMDAPPAKESVKEFIAVGNLMA-GYVH-VPKMIATDE--------QQGFIVLEDLGNTDFADVIAKDLTDAGELAKTARYYQQAMQEILAIQKIDINDAKAV---IPSYDDALLRREMGLFSDWFL---------PYIGVKMTP--DLETLWQDLQSDIIQQV--IAQPQVVVHRDFHSRNLMVLSHSDELGVIDFQDAVIGAYTYDLASLLRDAYINYD-ENWVNTHLAHYHQLAQLDKSLAEFTVDFNIMSMQRHLKVLGIFVRLFERDGKDRYLVNLPKVFNDLLTCLKAISQWDKRPTFDKFADWMTAAAAPAFQQKIQG 3I1A Chain:B ((6-272)) -------------------------------------------------IQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHD--EINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNL-----------TGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSP-KWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNE-ESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV---------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 888 -29199 -32.88 -122.17 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -32.88 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: