Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVNPITHYIGSFIDEFALSGITDAVVCPGSRSTPLAVLCAAHPDISVHVQIDERSAGFFALGLAKAKQRPVLLICTSGTAAANFYPAVVEAHYSRVPIIVLTADRPHELREVGAPQAINQHFLFGNFVKFFTDSALPEESPQMLRYIRTLASRAAGEAQKRPMGPVHVNVPLREPL-MPDLSDEPFGRM-RTGRHV-SVKT-GTQSVDRESLSDVAEMLAEAEKGMIVCGELHSDADKENIIALSKALQYPILADPLSNLRNGVHDKSTVIDAYDSFLKDDELKRKLRPDVVIRFGPMPVSKPVFLWLKDDPTIQQIVIDEDGGWRDPTQASAHMIHCNASVFAEEIMAGLTAATRSSEWLEKWQFVNGRFREHLQTISSEDVSFEGNLYRILQHLVPENSSLFVGNSMPIRDVDTFFEKQDRPFRIYSNRGANGIDGVVSSAMGVCEGTKAPVTLVIGDLSFYHDLNGLLAAKKLGIPLTVILVNNDGGGIFSFLPQASEKTHFEDLFGTPTGLDFKHAAALYGGTYSCPASWDEFKTAYAPQADKPGLHLIEIKTDRQSRVQLHRDMLNEAVREVKKQWEL 3HWW Chain:A ((4-554)) --SAFNRRWAAVILEALTRHGVRHICIAPGSRSTLLTLAAAENSAFIHHTHFDERGLGHLALGLAKVSKQPVAVIVTSGTAVANLYPALIEAGLTGEKLILLTADRPPELIDCGANQAIRQPGMFASHPTHSISLPRPTQDIP-ARWLVSTIDHALGTL---HAGGVHINCPFAEPLYGEMDDTGLS-WQQRLGDWWQDDKPWLREAPRLESEKQRDWFFWRQKRGVVVAGRMSA-EEGKKVALWAQTLGWPLIGDVLSQTGQPLPCADLWLGNA------KATSELQQAQIVVQLGSSLTGKRLLQWQASCEPEEYWIVDDIEGRLDPAHHRGRRLIANIADWLELHPAE-----KRQPWCVEIPRLAEQAMQAV--IARRDAFGEAQLAHRICDYLPEQGQLFVGNSLVVRLIDALS-QLPAGYPVYSNRGASGIDGLLSTAAGVQRASGKPTLAIVGDLSALYDLNALALLRQVSAPLVLIVVNNNG-------------------YLMPQNVHFEHAAAMFELKYHRPQNWQELETAFADAWRTPTTTVIEMVVNDTDGAQTLQQLLAQVS---------

General information: TITO was launched using: RESULT: Template: 3HWW.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 : 3253 -108427 -33.33 -204.58 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -33.33 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3HWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HWW-query.scw PDB file : Tito_Scwrl_3HWW.pdb: