Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGYSMVQMVRANAHKLDWPLRETVLQLYKPFKWTPCFLHKFFETKLQNRKKMSVIIEFEEGCHETGFQMAGEVLQKEKRSKLKSRFNKINCCSAEVTPSALHSLLSECSNIRKVYLNREVKALLDTATEASHAKEVVRNGQTLTGKGVTVAVVDTGI-YPHPDLEGRIIGFADMVNQKTEPY-DDNGHGTHCAGDVASSGASSSGQYRGPAPEANLIGVKVLNKQGSGTLADIIEGVEWCIQYNEDNPDEPIDIMSMSLGGDALRYDHEQEDPLVRAVEEAWSAGIVVCVAAGNSGPD--SQTIASPGVSEKVITVGALDDNNTASSDDDTVASFSSRGPTVYGKEKPDILAPGVNIISLRSPNSYIDKLQKSSRVGSQYFTMSGTSMATPICAGIAALILQQNPDLTPDEVKELLKNGTDKWKDEDPNIYGAGAVNAENSVPGQ 1SUP Chain:A ((9-271)) -----------------------------------------------------------------------------------------------------------------------------------SQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDL--KVAGGASMVPSETNPFQDNNSHGTHVAGTVAA--LNNSIGVLGVAPSASLYAVKVLGADGSGQYSWIINGIEWAIANN-------MDVINMSLGGPS------GSAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAVDSSNQR-------ASFSSVGPEL------DVMAPGVSI--------------QSTLPGNKYGAYNGTSMASPHVAGAAALILSKHPNWTNTQVRSSLENTTTKLGDSF--YYGKGLINVQ------

General information: TITO was launched using: RESULT: Template: 1SUP.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 : 1812 -168062 -92.75 -648.89 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -92.75 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_1SUP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SUP-query.scw PDB file : Tito_Scwrl_1SUP.pdb: