Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFVDEAVITVEAGDGGNGVASFRREKFVPFGGPDGGDGGRGGSIYIQADDDTSTLVDYRYTRKLRAERGKNGAGANCTGRGGEDVVLKVPVGTTIVDTDSGDIIGDLVEDGQRVMVASGGEGGLGNTHFKSSTNRAPRKCTTGTKGEFREIRLELKVLADVGLLGMPNAGKSTFIRAVSAAKPKVADYPFTTMVPNLGVVDADRHRSFVMADIPGLIEGAAEGAGLGIRFLKHLARTRILLHIIDVQPIDGSDPAHNAKAIMNELAKFSPTLANLPIVLVLNKLDQI-AEESREEWCQHILDELQWTGPVFKTSGLLEEGTKEVVYYLMDQIEQQREREVEDPEYAAEVRAFREQLEAETREQTIAAKEAYRAMRKAQRLESMMDDDDDFDDDEDDGDVESIYVRD 5M04 Chain:A ((21-356)) MKFVDEASILVVAGDGGNGCVSFRREKYIPKGGPDGGDGGDGGDVWMEADENLNTLIDYRFEKSFRAERGQNGASRDCTGKRGKDVTIKVPVGTRVIDQGTGETMGDMTKHGQRLLVAKGGWHGLGNTRFKS----TPRQKTNGTPGDKRELLLELMLLADVGMLGMPNAGKSTFIRAVSAAKPKVADYPFTTLVPSLGVVRMDNEKSFVVADIPGLIEGAAEGAGLGIRFLKHLERCRVLLHLIDIDPIDGTDPVENARIIISELEKYSQDLATKPRWLVFNKIDLLDKVEAEEKA-KAIAEALGWEDKYYLISAASGLGVKDLCWDVMTFIIENP----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5M04.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1776 -104148 -58.64 -314.65 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -58.64 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_5M04.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M04-query.scw PDB file : Tito_Scwrl_5M04.pdb: