Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRKGNLSMTTQLQHLTLPEDIQQKLLSYKEQPISPEFQSLIGTSGYEAEDEAILFDAIIALAMGKNVLLKGPTGSGKTKLAETLSSYFHKPMHSVNCSVDLDAEALVGYKTIENQSGQATIEFVSGPVTKAMKEGHFLYIDEINMAKPETLPILNGVLDYRKMMTNPFTGEVIRAKSGFGVIAAINEG-YVGTVPLNEALKNRFVI-IDVPYIKGELLKQVLMSQSALKDEKLIDRFITLSSDLIVQANNGQVSEEAASIRALIDTCDLAAYIPPRRAIERGIVEKLDDDREKAAVRNIAETLFE 2R44 Chain:A ((33-199)) ---------------------------------------------------KYMINRLLIGICTGGHILLEGVPGLAKTLSVNTLAKTMDLDFHRIQFTPDLLPSDLIGTMIYNQHK--GNFEVKKGPV-----FSNFILADEVNRSPAKVQSALLECMQEKQ-VTIG--DTTYPLDNPFLVLATQNPVEQEGTYPLPEAQVDRFMMKIHLTYLDKESELEVMRRVSN------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R44.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 : 702 -85662 -122.02 -519.16 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -122.02 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_2R44.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R44-query.scw PDB file : Tito_Scwrl_2R44.pdb: