Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSRKVVIVGTGFVGTSIAYAMINQGISNELVLIDVNQEKAEGEALDLLDGMAWGDENVAVWSGGYEECKDADIVVITAGINQKPGQSRLDLVKTNASIMRQIVKEIMGSGFDGIIVVASNPVDILTYIAWNESGLPTSRVIGTGTTLDTTRFRKEIALKLKVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPVFEIVEKDHRIAQDELDVIADKVRNAAYEIIDRKKATYYGIGMSTARIVKAILNNEQAVLPVSAYLTGEYDEKDIFTGVPSIVDENGVREVVELSINEEEKAMFSKSTSALREVLNTVL 4LN1 Chain:A ((24-336)) -KKGINRVVLVGTGAVGCSYAYCMINQAVAEEFVLVDVNEAKAEGEAMDLSHAVPFAPAPTRVWKGSYEDCKDADLVVITAGLPQ----TRLDLVEKNAKIFKQIVRSIMDSGFDGIFLIATNPVDILTYVTWKESGLPKERVIGSGTTLDSARFRYMLGEYFDIGPHNIHAYIIGEHGDTELPVWSHVSVGIQKLQTLLEKDNTYNQEDLDKIFINVRDAAYHIIERKGATYYGIGMSLLRVTKAILNDENSVLTVSAYLEGQYGQKDVYIGVPAVLNRGGVREILEVELSEDEELKFDHSVQVLKETMAPVL

General information: TITO was launched using: RESULT: Template: 4LN1.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 : 1730 -243528 -140.77 -788.12 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -140.77 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.635

(partial model without unconserved sides chains): PDB file : Tito_4LN1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LN1-query.scw PDB file : Tito_Scwrl_4LN1.pdb: