Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKIDDLQLIGSGATANVYLYDKNKIIKLFNNDYDINAVNYEAKIAQEIND-SCITAPKFYQTIIIN---GQNGIVYEYVEGELLFSLLVKS-SLPQGIKLIKKLAQTQISINQKRNNNIT-----SQIDRFSY-------LINKST--GI----ESYKDVLIEGLKSIKQDNCICHGDLHAGNIIVNS--S-GYVAIDWMNCYAGNKEGDLIRSYLMLVSPYIPFPAGRIIRILFRIYKNILGHVYMNEYLKLTKLK-KKELRKWYSIIAASRLADNIPNEEKWLIKIIRKNINYLKKLQPRV 3N4U Chain:A ((25-296)) ------IEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYG-----------------MEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIR---------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 1064 11212 10.54 45.76 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 10.54 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: