Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQEDLHPLLGKAVEHINRVMVGKRDIAILSLAALL---------------AKGHVLLEDVPGVGKTMMVRALAKSIGADFKRIQFTPDLLPSDVTGVSIYNAKTMEFEYRPGPIMGNIVLADEINRT-----------SPKTQSALLEAMEEGSVTVDGHTMQLADPFFVMATQNPVEYEGTYPLPEAQLD--RFLFKLRMGYPSFNEELDVLSLQEKSHPIETLEPVIAKEDFIFLQREVQNVRADDSIKEYIVEIVQKTRQHPSVQLGVSPRGSIALMKAAQAYALLHHRDYVIPDDIQYLAPFTLPHRMMLHPEAKFEGIQAEAIVREIMSAVKVPVQRSAVR 3H4M Chain:A ((15-263)) -----------------RYEDIGGLEKQMQEIREVVELPLKHPELFEKVGIEPPKGILLYGPPGTGKTLLAKAVATETNATFIRVVGSELVKK--FIGEGAS-L-VKDIFKLAKEKAPSIIFIDEIDAIAAKRTDALTGGDREVQRTLMQLLAEMDG------FDARGDVKIIGATNRPD-----ILDPAILRPGRFDRIIEVPAPDEKGRLEILKIHTRK----------------------MNL-AEDVNLEEIAKMT----------EGCVGAELKAICTEAGMNAIRELRDYVTMDDFRKAVEKIMEKKK----------------------------------

General information: TITO was launched using: RESULT: Template: 3H4M.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 : 1066 -99883 -93.70 -451.96 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -93.70 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3H4M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H4M-query.scw PDB file : Tito_Scwrl_3H4M.pdb: