Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRKPLLQSLSVGPKGLRYISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILA-DALFEREETRHKEDKQTFIEKLSSFLMRRA 4RZ3 Chain:B ((29-272)) ----------------------SP-------RTIAVTSGKGGVGKSNVSLNFSLSLSKLGFRVLLLDMAIGMGNIDILLGESSSLALADWFSARLPLSELVKSGPEHLSYIAGGTGAAQWQGLDTASIDRFLTELQAVASQYDYLIFDMGAGASGERLYFLKSVDDVFVVTTPEPTAMTDAYAMMKYMHAAGSEAPFSVIVNRAGKEREGYEVFERLKHVTGRFLNKDIALLGIIPEDRTVARAVVSQTPFVLLDPAAKASKAVRQMAFRYAP--------------------------

General information: TITO was launched using: RESULT: Template: 4RZ3.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 : 1368 -170401 -124.56 -701.24 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -124.56 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4RZ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RZ3-query.scw PDB file : Tito_Scwrl_4RZ3.pdb: