Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKQQILVDIKDDSMSSNETTTGFKPKKSVALSGQVAGNTALCTVGRSGNDLHYRGYDILDLAAGSEFEEVAHLLVHGKLPNKAELKAYKAKLKALRGLPAALKTALEQLPTSAHPMDVMRTGVSVLGCLTPEHEDHNEAGAKDIADKLMASLGSMLLYWYHFSNNGRRIEVETDDDSIAAHFLHLLHGEKPCEEWIQAMHTSLILYAEHEFNASTFTSRVVAGTGSDMYSAITGGIGALRGPKHGGANEVAFVIQQRYDNPDEAEADIRKRIENKEVVIGFGHPVYTVSDPRNEVIKKVAHDLAEAQENTKMYLIAERLEAVMKEVKNMFPNLDWFSAVSYHLMGVPTAMFTPLFVIARTAGWSAHVIEQRQDGKIIRPSANYTGPENLEFKPLAERG 3HWK Chain:D ((48-407)) --------------------------DIKKGLAGVVVDTTAISKVVPQTNSLTYRGYPVQDLAARCSFEQVAFLLWRGELPTDAELALFSQRERASRRVDRSMLSLLAKLPDNCHPMDVVRTAISYLGAEDPDEDDAAANRAK--AMRMMAVLPTIVAIDMR-RRRGLPPIAPHSGLGYAQNFLHMCFGEVPETAVVSAFEQSMILYAEHGFNASTFAARVVTSTQSDIYSAVTGAIGALKGRLHGGANEAVMHDMIEIGDPANAREWLRAKLARKEKIMGFGHRVYRHGDSRVPTMKRALERVGTVRDGQRWLDIYQVLAAEMASATGILPNLDFPTGPAYYLMGFDIASFTPIFVMSRITGWTAHIMEQATANALIRPLSAYCGHEQ----------

General information: TITO was launched using: RESULT: Template: 3HWK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1862 -186863 -100.36 -519.06 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -100.36 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_3HWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HWK-query.scw PDB file : Tito_Scwrl_3HWK.pdb: