Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDSNLTNPIKAFFHDEFPEQYQEPPGLQKNMKPVPDCGEKSYKGSGKLTGRKALVTGGDSGIGRAAAIAYAREGADVAINYLPEEQPDAEEVKELIEAEGRKAVLIPGDLSDESFCQDLVKQSHHE------LGGLDVLALVAGKQQAVENIEDLPTEQIYKTFEVNVFSLYWVVKAALPYLPEGASIITTTSVEGYNPSPMLLDYAATKNAIIGFTVGLGKQLASKGIRVNSVAPGPIWTPLQISGGQPTENIP-KFGQGTPPAPLNRAGQPVELADVYVFLASENSSYVTSQVYGITGGIPTA 3ICC Chain:A ((3-254)) ----------------------------------------------SMLKGKVALVTGASRGIGRAIAKRLANDGALVAIHYGNRKE-EAEETVYEIQSNGGSAFSIGANLESLHGVEALYSSLDNELQNRTGSTKFDILINNAGIGPGA-FIEETTEQFFDRMVSVNAKAPFFIIQQALSRLRDNSRIINISSAATRISLPDFIAYSMTKGAINTMTFTLAKQLGARGITVNAILPGFVKTDMNAEL-LSDPMMKQYATTIS---AFNRLGEVEDIADTAAFLASPDSRWVTGQLIDVSGGSC--

General information: TITO was launched using: RESULT: Template: 3ICC.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 : 1333 -116132 -87.12 -474.01 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -87.12 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_3ICC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ICC-query.scw PDB file : Tito_Scwrl_3ICC.pdb: