Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGYSMVQMVRANAHKLDWPLRETVLQLYKPFKWTPCFLHKFFETKLQNRKKMSVIIEFEEGCHETGFQMAGEVLQKEKRSKLKSRFNKINCCSAEVTPSALHSLLSECSNIRKVYLNREVKALLDTATEASHAKEVVRNGQTLTGKGVTVAVVDTGI-YPHPDLEGRIIGFADMVNQKTEPY-DDNGHGTHCAGDVASSGASSSGQYRGPAPEANLIGVKVLNKQGSGTLADIIEGVEWCIQYNEDNPDEPIDIMSMSLGGDALRYDHEQEDPLVRAVEEAWSAGIVVCVAAGNSGPD--SQTIASPGVSEKVITVGALDDNNTASSDDDTVASFSSRGPTVYGKEKPDILAPGVNIISLRSPNSYIDKLQKSSRVGSQYFTMSGTSMATPICAGIAALILQQNPDLTPDEVKELLKNGTDKWKDEDPNIYGAGAVNAENSVPGQ 3SIC Chain:E ((9-271)) -----------------------------------------------------------------------------------------------------------------------------------SQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDL--KVAGGASMVPSETNPFQDNNSHGTHVAGTVAA--LNNSIGVLGVAPSASLYAVKVLGADGSGQYSWIINGIEWAIANN-------MDVINMSLGGPS------GSAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAVDSSNQR-------ASFSSVGPEL------DVMAPGVSI--------------QSTLPGNKYGAYNGTSMASPHVAGAAALILSKHPNWTNTQVRSSLENTTTKLGDSF--YYGKGLINVQ------

General information: TITO was launched using: RESULT: Template: 3SIC.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 : 1795 -161981 -90.24 -625.41 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain E : 0.72 3D Compatibility (PKB) : -90.24 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.586

(partial model without unconserved sides chains): PDB file : Tito_3SIC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SIC-query.scw PDB file : Tito_Scwrl_3SIC.pdb: