Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFVDEAVITVEAGDGGNGVASFRREKFVPFGGPDGGDGGRGGSIYIQADDDTSTLVDYRYTRKLRAERGKNGAGANCTGRGGEDVVLKVPVGTTIVDTDSGDIIGDLVEDGQRVMVASGGEGGLGNTHFKSSTNRAPRKCTTGTKGEFREIRLELKVLADVGLLGMPNAGKSTFIRAVSAAKPKVADYPFTTMVPNLGVVDAD-RHRSFVMADIPGLIEGAAEGAGLGIRFLKHLARTRILLHIIDVQPIDGSDPAHNAKAIMNELAKFSPTLANLPIVLVLNKLDQI-AEES-REEWCQHILDELQWTGPVFKTSGLLEEGTKEVVYYLMDQIEQQREREVEDPEYAAEVRAFREQLEAETREQTIAAKEAYRAMRKAQRLESMMDDDDDFDDDEDDGDVESIYVRD 2KE5 Chain:A ((3-169)) --------------------------------------------------------------------------------------------------------------------------------------------------------------LHKVIMVGSGGVGKSALTLQFMYDEFVED-YEPTKADSYRKKVVLDGEEVQIDILDTAGLEDY----AAIRDNYFR---SGEGFLLVFSITEH---ESFTATAEFREQILRVKAEEDKIPLLVVGNKSDLEERRQVPVEEA-RSKAEEWG--VQYVETSAKTRANVDKVFFDLMREIRTKK----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KE5.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 : 800 -19151 -23.94 -116.77 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -23.94 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_2KE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KE5-query.scw PDB file : Tito_Scwrl_2KE5.pdb: