Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWYNRAMKHFDTIVIGGGPAGMMATISSSFYGQKTLLIEKNRKLGKKLAGTGGGRCNVTNNGSLDNLLAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPASDKSRTIIEALEKKITELGGQVATQIEIVSVKKVDDQFVLKSADQTFTCEKLIVTTGGKSYPSTGSTGFGHEIARHFKHTITDLEAAESPLLTDFPHKALQGISLDDVTLSYGK-HVITHDLLFTHFGLSGPAALRMSSFVKGGEVLSLDVLPQLSEKDLVTFLEENREKSLKNALKTLLPERLAEFFVQGYPEKVKQLTEKEREQLVQSIKELKIPVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVMDINAHTGGFNITSALCTGWVAGSLHYD 4CNK Chain:B ((2-391)) -------NHFDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRCNVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVSVKKTDELFTVRSSDQAWTCQKLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTDFPHKALQGISLDDVTLSY-GKHIITHDLLFTHFGLSGPAALRLSSFVKGGETIYLDVLPQMSQQDLADFLEEHREKSLKNCLKILLPERIADFFTQPFPEKVKQLNLSEKEALIKQIKELPISVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAGSLHYD

General information: TITO was launched using: RESULT: Template: 4CNK.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 : 2380 -82594 -34.70 -212.32 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.96 3D Compatibility (PKB) : -34.70 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.96 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_4CNK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CNK-query.scw PDB file : Tito_Scwrl_4CNK.pdb: