Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGYSMVQMVRANAHKLDWPLRETVLQLYKPFKWTPCFLHKFFETKLQNRKKMSVIIEFEEGCHETGFQMAGEVLQKEKRSKLKSRFNKINCCSAEVTPSALHSLLSECSNIRKVYLNREVKA-----------LLDTATEASHAKEVVRNGQTLTGKGVTVAVVDTGI-YPHPDLEGRIIGFADMVNQ-KTEPYDDNGHGTHCAGDVASSGASSSGQYRGPAPEANLIGVKVLNKQGSGTLADIIEGVEWCIQYNEDNPDEPIDIMSMSLGGDALRYDHEQEDPLVRAVEEAWSAGIVVCVAAGNSGPDS--QTIASPGVSEKVITVGALDDNNTASSDDDTVASFSSRGPTVYGKEKPDILAPGVNIISLRSPNSYIDKLQKSSRVGSQYFTMSGTSMATPICAGIAALILQQNPDLTPDEVKELLKNGTDKWKDEDPNIYGAGAVNAENSVPGQ 3WHI Chain:A ((6-365)) --------------------------------------------------TEKKYIVGFKQTMSAMSSAKKKDVISEK-GGKVQKQFKYVNAAAATLDEKAVKELKKDP-SVAYVEEDHIAHEYGKPSWLQPAQSVPYGISQIKAPAL--HSQGYTGSNVKVAVIDSGIDSSHPDLNVRGG--ASFVPSETNPYQDGSSHGTHVAGTIAALNN--SIGVLGVSPSASLYAVKVLDSTGSGQYSWIINGIEWAISN-------NMDVINMSLGGPTGS------TALKTVVDKAVSSGIVVAAAAGNEGSSGSTSTVGYPAKYPSTIAVGAVNSSN-------QRASFSSAGSEL------DVMAPGVSIQSTLP--------------GGTYGAYNGTAMATPHVAGAAALILSKHPTWTNAQVRDRLESTATYLG--NSFYYGKGLINVQAAAQ--

General information: TITO was launched using: RESULT: Template: 3WHI.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 : 2400 -194667 -81.11 -572.55 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -81.11 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_3WHI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WHI-query.scw PDB file : Tito_Scwrl_3WHI.pdb: