Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMEKYQNIVIGFGKGGKTLAKALASKGESVLVVEKSTRMYGGTCINIGCIPSKSLIFN-----------------GERGIDFTEAVARKEKLTGMLRAKNYHMISDEATGTVMDGTARFLSNHQIEV-TNNGEKVIVEGERIFINTGSEPIILPIKGLNTSRYLIDSTQAMDQEQLPEKLVIIGAGYIGLEFASMFNEYGSKVVVLDAHSEFLPREDEDIAQMILEDMTNAGIEFHLGVSVDQVADQESTAAVTFTEDGQEVTIQASKVLAATGRKPSTASLGLENTDVKLTDRGAIAVDEYLRTDADNIWAIGDVKGGLQFTYISLDDYRIIMDQLKGENKRTTNNRKAVPYSVFITPTLSNVGLTEKQAKAQGVNYKLFKYMTSGVPKAQVLEDPKGVFKVLVDPETDLILGASIYAEDSHEVINLISLAMNGKLPYTLLRDQIYSHPTMSEALNDVLK 4M52 Chain:A ((3-456)) -MTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEP--KYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEG-RVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVP--GTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECF-

General information: TITO was launched using: RESULT: Template: 4M52.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 : 2542 -3480 -1.37 -7.98 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -1.37 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_4M52.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M52-query.scw PDB file : Tito_Scwrl_4M52.pdb: