Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQCYTDVTEFAIPVSTQKLYLSPVLDGFNSEIIAYNLSTSPNLEQVQTMLEQAFTEKHYENTILHSDQGWQYQHDSYHRFLESKGIQASMSRKGNSQDNGMMESFFGILKSEMFYGYEKTFKSLNQLEQAIIDYIDYYNNKRIKVKLKGLSPVQYRTKSFG 3KKS Chain:B ((2-144)) SHLWQMDNTH----W--NKTIIWVAVETNSGLVEAQVIPE-ETALQVALCILQLIQRY-TV-LHLHSDNGPCFTAHRIENLCKYLGITKTTGIPYNPQSQGVVERAHRDLKDRLAAY----QGDCETVEAALSLALVSLNK-KRGGI-GGHTPYEIYL----

General information: TITO was launched using: RESULT: Template: 3KKS.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 : 627 -69731 -111.21 -487.63 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -111.21 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_3KKS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KKS-query.scw PDB file : Tito_Scwrl_3KKS.pdb: