Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK 3B5R Chain:A ((1-247)) ----------------------------------------------------PIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFH--

General information: TITO was launched using: RESULT: Template: 3B5R.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 : 1073 -168207 -156.76 -681.00 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -156.76 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_3B5R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B5R-query.scw PDB file : Tito_Scwrl_3B5R.pdb: