Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQNTKLRPITPEFDPWEAYMDVDQYGDMQLTNVEFTTTTLCNMRCEHCAVGYTLQPKDPNALPIDLLLKRLEEIP--RLRSISITGGEPMLSLKSVKEYVVPLLKYAHER--GVRTQINS------NLTLDI-ERYEWIIP-YLDVLHISHNWGTVEDFAEIGFAMMDRKPTFEQRARYFEKMIENSRTLVDA--GVMVSAETMLN-KRTLPHIEHIHRQITEDMKCQRHEVHPMYPSDFASALESLSLKEMRQAIHRLLDIRDENTWMLFGTLPFYACSPDEDDQKLLRRLRAAKNVTVRNDPDGRSRLNVNIFDGNIIVTDFGDTPPLGNIQTDSLPSAYEKWRETKLAKELSCHCPNVRCLGPNVLVKNSYYQDTDFTKRQARS 4U0O Chain:B ((52-244)) ------------------------------KTATFLLLGPTCTRACAFCQVEKGHA---PAAVDPEEPTKIAAAVATLGLRYVVLTSVARDDLPDQGAGQFVATMAAIRQRCPGTEIEVLSPDFRMDRGRLSQRDCIAQIVAAQPACYNHNLETVR-RLQGPV------------RRGATYESSLRVLATVKELNPDIPTKSGLMLGLGETEAEIIETLKD-LRRVGCDRLTLGQYLPPS----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U0O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 813 -69504 -85.49 -390.47 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -85.49 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_4U0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U0O-query.scw PDB file : Tito_Scwrl_4U0O.pdb: