Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFVDEAVITVEAGDGGNGVASFRREKFVPFGGPDGGDGGRGGSIYIQADDDTSTLVDYRYTRKLRAERGKNGAGANCTGRGGEDVVLKVPVGTTIVDTDSGDIIGDLVEDGQRVMVASGGEGGLGNTHFKSSTNRAPRKCTTGTKGEFREIRLELKVLADVGLLGMPNAGKSTFIRAVSAAKPKVADYPFTTMVPNLGVVDADRHRSFVMADIPGLIEGAAE--GAGLGIRFLKHLARTRILLHIIDVQPIDGSDPAHNAKAIMNELAKFSPTLANLPIVLVLNKLDQI-AEESREEWCQHILDELQWTGPVFKTSGLLEEGTKEVVYYLMDQIEQQREREVEDPEYAAEVRAFREQLEAETREQTIAAKEAYRAMRKAQRLESMMDDDDDFDDDEDDGDVESIYVRD 3B1V Chain:A ((3-164)) --------------------------------------------------------------------------------------------------------------------------------------------------------------MTEIALIGNPNSGKTSLFNLITGHNQRVGNWPGVTVERKSGLVK-K-NKDLEIQDLPGIYSMSPYSPEAKVARDYLL-SQRADSILNVVDATNL---ERN---LYLTTQLIE-----TGIPVTIALNMIDVLDGQGKKINV-DKLSYHLG--VPVVATSALKQTGVDQVVKKAAHTTTS------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B1V.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 : 869 -22626 -26.04 -142.30 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -26.04 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_3B1V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B1V-query.scw PDB file : Tito_Scwrl_3B1V.pdb: