Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------METTKLGNLKLYGAGHAAGGAYHNVSIKGEGIVGEGLSAVGCRIYGTGLFLGKAETERLRVLGESECKGDLTAGKINIYGTMKVSGSLQFDRFNLKGQTEIGGNMTGESCDVKGKLSVIGDCETEMFHVTGCVDVSGLLNSGEIKLGLSHDISHVQEIGGTTITVKRRASFFSRKKGKLIADVIEGDRVYLENTEAAVVRGKEVIIGPGCSIGTIEYEYKCECDPHSQIKEKTKL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4P42 Chain:A ((3-470)) DTERAEWLNKTVKHMWPFICQFIEKLFRETIEPAVRGANTHLSTFSFTKVD--VGQ--QPLRINGVKVYTENVDKRQIILDLQISFVGNCEID-LEI-KRYFCRAGVK--SIQIHGTMRVILEPLIGDMPLVGALSIFFLR-------KPLLEINWTGLTNLLDVPGLNGLSDTIILDIISNYLVLPNRITVPLVSEVQIAQLR---FPVPKGVLRIHFIEAQDLQGKDT-----YLKGLVKGKSDPYGIIRVG--------NQIFQSRVIKENLSPKWNEVYEALVYEHPGQELEIELFDEDPDKDDFLGSLMIDLIEVEKERLLDEWFTLDEVPKGKLHLRLEWLTLMPNASNLDKVLTDIGLSSALLILYLDSARNLPSSSNPNPVVQMSVGHKAQESKIRYKTNEPVWEENFTFFIHNPKRQDLEVEVRDEQHQCSLGNLKVPLSQLLTSEDMTVSQRFQLSNSGPNSTIKMKIALRVLHLE

General information: TITO was launched using: RESULT: Template: 4P42.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 : 647 -57961 -89.58 -284.12 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -89.58 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_4P42.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P42-query.scw PDB file : Tito_Scwrl_4P42.pdb: