Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNLPIIAVLYMILSMVSYQISASFAKQLIAALDPLTVTILRLCFAAVIVAVMFRSWKIWSRLPYLKWRDLLMYCASLGLMNILFYTSLGKLPQGIAVGLEFIGPLGLALVSIKQKSEYIWVAFAMLGIALMVPWQDPTQHHFSYVGAACALGAGLCWAFYIYFGQKVVTQNIGMHALTIGITVSA-LALLPIGIWYNGPALLDTQYWGKALLIAVLATAIPYALDLMALKQLNKLTYGTLTSLAPALAALTGFLLLHEEISMLQWVALACVMLASIGVTLRSKTAS 3JQG Chain:C ((190-221)) ------------------------------------------------------------------------------------------------------------------------------------------------------------CMAFSLY--------NMGKHAL-VGLTQSAALELAPYGIRVNG----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3JQG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 21 -2142 -102.00 -69.10 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain C : 0.41 3D Compatibility (PKB) : -102.00 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.41 QMean score : 0.018

(partial model without unconserved sides chains): PDB file : Tito_3JQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JQG-query.scw PDB file : Tito_Scwrl_3JQG.pdb: