Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFQRPKGTNDILPGESEKWQFVEETARLLFRDYQYNEMRTPIFEHYEVISRSVGDTTDIVSKEMYDFYDKGERHVTLRPEGTAPIVRSFVEHKLFGPEYAKPFKTFYMGPMFRYERPQKGRLRQFHQIGVEAFGSENPATDVESMVMALDFFKQLGITQIRLVINSLGDKETRQAYRQALIDYLLPFESELSEDSKRRLHENPLRVLDSKDKRDQKFVAEA--PSILDYLSEPAQKHFDTVVSMLDALAVPYEIDSNMVRGLDYYTHTIFEIMSDAPKMGAQATICAGGRYDNLVEELGGPSTPGFGFAMGIERLLLTMEAEEVVIPAFNELDAYVVALGDETNIEALKVVQAIRNFGFSADRDFMNRKAKAQFKTADKANAKLVLVIGEDELASQTINVKAMASRKEKSFPLEEIYEHFDEVYDEMTLFE 1H4V Chain:B ((2-420)) -TARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVFEKGVGA------KEMFTFQDRGGRSLTLRPEGTAAMVRAYLEHGMK--VWPQPVRLWMAGPMFRAERP----YRQFHQVNYEALGSENPILDAEAVVLLYECLKELGLRRLKVKLSSVGDPEDRARYNAYLREVLSPHREALSEDSKERLEENPMRILDSKSERDQALLKELGVRPMLDFLGEEARAHLKEVERHLERLSVPYELEPALVRGLDYYVRTAFEVHH--------SALGGGGRYDGLSELLGGPRVPGVGFAFGVERVALALEAEGFGLPEEKGPDLYLIPLTEEAVAEAFYLAEALRP-RLRAEYALAPRKPAKGLEEALKRGAAFAGFLGEDELRAGEVTLKRLATGEQVRLSREEVPGYLLQAL-------

General information: TITO was launched using: RESULT: Template: 1H4V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2008 -40367 -20.10 -100.66 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -20.10 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_1H4V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1H4V-query.scw PDB file : Tito_Scwrl_1H4V.pdb: