Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFENESMGFNHDEICATWNIP-PLVSVQKPLTGTIHNVFLLTTREAKYVLRIYSYPP----EKRFRIVNEHAIARYVQSHHLPAIAPLPISSGCETFLERDGHFYALYPFAQGEQLSRAMLNSNQSHVGEIISAMGHSLAEVHLVLSSYCLPTTRPLSLVVNREQTIAKIEELEIVIPA-----KEALDDLDQRV---LSALRARKQYLLTASDVDVSELNALPWQPLHGDFQETNLFFSH--GRVSAIIDWDQACSGPRAWEILRTLHYVFAL-------------DPSRCQRFLEAYQQ--VFPLPMEVLHLTAKVYTWVQLNNLWGWRSYYLDNNQSLRQLLSTSDSQPFTTRWAQLAKML 4WH3 Chain:A ((4-293)) -------SNEVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNL--MRNVELVTSTLKAQGKETLDIVPTTSGA-TWAEIDGGAWRVYKFIEHTVSYNLVPNPDV------FREAGSAFGDFQNFLSEFDASQLTET--IAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVM----DG-----LRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLP------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1066 -15562 -14.60 -59.85 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -14.60 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: