Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRTANEFLTPQAIKVEAVSGTSAKVILEPLERGFGHTLGNALRRILLSSLPGAAVVEVEIEGVEHEYSTLEGLQQDIVELLLNLKGLSIKLFDQNEAYLTLEKQGPGDITAADLRLPHNVEVVNPEHLIGTLSATGSLKMRLKVSQGRGYETSDSRFPEGETRPVGRLQLDASYSPIKRVSYTVENARVEQRTDLDKLVIDLETNGTVDPEEAIRKAATILQQQIAIFVDLQKDQTPVAQEPREEVDPILLRPVDDLELTVRSANCLKAENIYYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASKGLQLGMRLENWPPASLRMDDRFAYRSR 1LB2 Chain:B ((5-76)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENW----------------

General information: TITO was launched using: RESULT: Template: 1LB2.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 : 269 -48461 -180.15 -673.06 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -180.15 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_1LB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LB2-query.scw PDB file : Tito_Scwrl_1LB2.pdb: