Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGYSMVQMVRANAHKLDWPLRETVLQLYKPFKWTPCFLHKFFETKLQNRKKMSVIIEFEEGCHETGFQMAGEVLQKEKRSKLKSRFNKINCCSAEVTPSALHSLLSECSNIRKVYLNREVKALLDTATEASHAKEVVRNGQTLTGKGVTVAVVDTGI-YPHPDLEGRIIGFADMVNQKTEPY-DDNGHGTHCAGDVASSGASSSGQYRGPAPEANLIGVKVLNKQGSGTLADIIEGVEWCIQYNEDNPDEPIDIMSMSLGGDALRYDHEQEDPLVRAVEEAWSAGIVVCVAAGNSGPD--SQTIASPGVSEKVITVGALDDNNTASSDDDTVASFSSRGPTVYGKEKPDILAPGVNIISLRSPNSYIDKLQKSSRVGSQYFTMSGTSMATPICAGIAALILQQNPDLTPDEVKELLKNGTDKWKDEDPNIYGAGAVNAENSVPGQ 2SNI Chain:E ((9-271)) -----------------------------------------------------------------------------------------------------------------------------------SQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDL--KVAGGASMVPSETNPFQDNNSHGTHVAGTVAA--LNNSIGVLGVAPSASLYAVKVLGADGSGQYSWIINGIEWAIANN-------MDVINMSLGGPS------GSAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAVDSSNQR-------ASFSSVGPEL------DVMAPGVSI--------------QSTLPGNKYGAYNGTSMASPHVAGAAALILSKHPNWTNTQVRSSLQNTTTKLGDSF--YYGKGLINVQ------

General information: TITO was launched using: RESULT: Template: 2SNI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1771 -168059 -94.89 -648.88 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain E : 0.72 3D Compatibility (PKB) : -94.89 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_2SNI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2SNI-query.scw PDB file : Tito_Scwrl_2SNI.pdb: