Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANALEINNLKKIYGSGVE---ALRGIDLSVKEGDFYALLGPNGAGKSTTIGIITSLVNKTSGKV---NVFGYDLDKDLVRA--KQQIGLVPQEFNFNP----FETVQQIVVNQAGYYG-VSRKEAMKRSEKYLKQSNLWEK-RNVRARMLSGGMKRRLMIARALMHEPRLLILDEPTAGVDIELRREMWEFLRELN-ENGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKELLSKLQFETFIFDLAPYDTKPVIEGYACTFEDEQTIAVEVERNQGVNGIFDQLTRQGIKVLSMRNKSNRLEELFLKITEENNHTEEKNV 3TIF Chain:B ((2-204)) ----VKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFK--YRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTH---------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 836 28082 33.59 149.37 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 33.59 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: