Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIIDELTWRDAINQQTNEERLRELVEEKSISLYCGVDPTGDSMHIGHLIPFMMMKRFQLAGHHPYILIGGGTGTIGDPSGRKTERVLQTMEQVQHNVDALSNQMRKL--FGKDANITFV-NNYDWLSKISLLEFLRDYGKNFNINTMLAKDIVASRLEVGISFTEFTYQILQSIDFLHLHKTYDVQLQIGGADQWGNITAGLDLIRKLEGPEAEAFGLTIPLMLKADGTKFGKTAGGAVWLDPKKTSPFEFYQFWLNQDDRDVVKYLKFFTFLSQEEIEDLAKKVETEPEKREAQRRLAEEVTRFVHSEEDLKEAQKITQALFSGNIKELNAEEIAQGFGKMPNVEISSTPENIVELLVSTKIEPSKRQAREDVSNGAISINGDRVTDLNFVINPSDEFDGKFVVIRKGKKNYFLAKVID 1TYA Chain:E ((1-319)) MDLLAELQWRGLVNQTTDEDGLRKLLNEERVTLYCGFDPTADSLHIGHLAAILTMRRFQQAGHRPIALVGGATGLIGDPSGKKSERTLNAKETVEAWSARIKEQLGRFLDFEADGNPAKIKNNYDWIGPLDVITFLRDVGKHFSVNYMMAKESVQSRIETGISFTEFSYMMLQAYDFLRLYETEGCRLQIGGSDQWGNITAGLELIRKTKG---RAFGLTIPLVTKADGTKFGKTESGTIWLDKEKTSPYEFYQFWINTDDRDVIRYLKYFTFLSKEEIEALEQELREAPEKRAAQKTLAEEVTKLVHGEEALRQAIRIS-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1TYA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1553 -22061 -14.21 -70.26 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain E : 0.81 3D Compatibility (PKB) : -14.21 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_1TYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TYA-query.scw PDB file : Tito_Scwrl_1TYA.pdb: