Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLEQDIRAILRTEIKKHLKFKDVQCELNEIRSKNGVYVYRIITTS----------TSYVIKYFEKNE-----FRRELDYYNLLIELEIPTIPVISMTDQSIILEDIEQSETYRLGFESD---LENENVARGLVAWYTQFHKKGRIYLKQNPEQ-KAS----LYNEYNELTKNVITDIMTKTGTNHYKYWHILINHFDDLIA----QSKSYTSTLTYNDFYYTNFIVSKDESEVIMFDYNFLGVGYRYSDVRNIVSSLKG--------------------NAKSLFLACYPQCNEGEVILDDVLADLFVLKEAYKRDQFPSWAKIPVEQLDNGVFEQKVLKLKHYFKFD 3C5I Chain:D ((38-291)) ---------------------------VKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKI-APQLLNTFNG-------GRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFK--YKNIEKYNCDIH-KYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTN-K-CLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLS---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C5I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 641 -7055 -11.01 -34.75 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : -11.01 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.186

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: