Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESLIQTYLPNVYKMGWAGQAGWGTAIYLTLYMTVLSFIIGGFLGLVAGLFLVLTAPGGVLENKVVFWILDKITSIFRAVPFIILLAILSPLSHLIVKTSIGPNAALVPLSFAVFAFFARQVQVVLAELDGGVIEAAQASGATFWDIVG-VYLSEGLPDLIRVTTVTLISLVGETAMAGAVGAGGI-GNVAIAYGFNRYNHDVTILATIVIILIIFAIQFLGDFLTKKLSHK 4YMU Chain:C ((1-214)) --------MTVDFLSMVKYTPLFISGLIMTLKLTFLAVTIGVLMGLFIALMKMS-------SIKPIKLVASSYIEVIRGTPLLVQLLLIYNGLMQFGMNIPAFTAGVSALAINSSAYVAEIIRAGIQAVDPGQNEAARSLGMTHAMAMRYVIIPQAIKNILPALGNEFIVMLKESAIVSVIGFADLTRQADIIQSVTYRYFEPYIIIAAIYFVMTLTFSKLLSLFERRL---

General information: TITO was launched using: RESULT: Template: 4YMU.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 : 782 -138624 -177.27 -653.89 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : -177.27 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_4YMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMU-query.scw PDB file : Tito_Scwrl_4YMU.pdb: