Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK 1SQN Chain:B ((11-261)) --------------------------------------------------LIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQTQFEEMRSSYIRELIKAIGLRQ-GVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK

General information: TITO was launched using: RESULT: Template: 1SQN.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 : 1099 -166698 -151.68 -666.79 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -151.68 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_1SQN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQN-query.scw PDB file : Tito_Scwrl_1SQN.pdb: