Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMLALISPAKTLDYETALPTDEFTQPRLLEHSAQLIDVCRKLSASEIASLMSVSEKIATLNADRFRDWKPEFDFSNARQAIYAFKGDVYTGLDAYHLKDKDIDFAQQHLRMLSGLYGLLRPLDLMMPYRLEMGTKLKNTHGHNLYEFWGDIITNQINEDLAAIKSELLVNLASDEYYKSVNEKKIKAEIVKPVFLDQKNGKYKVISFYAKKARGLMARFIVENQLNKVEDIKAFNTEGYYFDADNSSAKELVFKRDEQ 5CAJ Chain:A ((19-276)) SHMLILISPAKTLDYQSPLTTTRYTLPELLDNSQQLIHEARKLTPPQISTLMRISDKLAGINAARFHDWQPDFTPANARQAILAFKGDVYTGLQAETFSEDDFDFAQQHLRMLSGLYGVLRPLDLMQPYRLEMGIRLENARGKDLYQFWGDIITNKLNEALAAQGDNVVINLASDEYFKSVKPKKLNAEIIKPVFLDEKNGKFKIISFYAKKARGLMSRFIIENRLTKPEQLTGFNSEGYFFDEDSSSNGELVFKRYE-

General information: TITO was launched using: RESULT: Template: 5CAJ.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 : 1330 -153481 -115.40 -594.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -115.40 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_5CAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CAJ-query.scw PDB file : Tito_Scwrl_5CAJ.pdb: