Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MKTVGNDLV--RNQLHADRKWYLILGF-------VLIIFGLVLFSSLPFATFSVVFLFGILMMVGGVLHLIAALSVFKG---GSRWLWALFGVLY----------LMAGYYAFSTPVTTAVVLTSLLSIALIIAGVIRTINAFLLRPIAGWGWTLFSGLLTLATGILILVSKDSPFWVLGMFLAVDILFQGINFLGLASAIKHLPSSSKT-VS------ 4I17 Chain:A ((4-226)) TTDPNQLKNEGNDALNAKNYAVAFEKYSEYLKLTNNQDSVTAYNCGVCADNIKKYKEAADYFDIAIKKNYNLANAYIGKSAAYRDMKNNQEYIATLTEGIKAVPGNATIEKLYAIYYLKEGQKFQQAGNIEKAEENYKHATDVTS-KKWKTDALYSLGVLFYNNGADVLRKATPLASSNKEKYASEKAKADAAFKKAVDYLGEAVTLSPNRTEIKQMQDQVKAMI

General information: TITO was launched using: RESULT: Template: 4I17.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 : 758 -51815 -68.36 -274.15 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -68.36 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_4I17.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I17-query.scw PDB file : Tito_Scwrl_4I17.pdb: