Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKVEVKHLTKIFGKKTQAALDMMNDHQPKTEILKKTGATVGVYDVNFDVKEGEIFVIMGLSGSGKSTLIRLLNRLIEPTSGSIYIDGEDVSKLSKEELREVRRHKINMVFQNFGLFPHRTILENTEYGL--EVRG-VPKEERQEKAEKALENSSLLS-FKDQYPSQLSGGMQQRVGLARALANDPEILLMDEAFSALDPLIRREMQDELLDLQANVQKTIIFITHDLNEALRIGDRIALMKDGEIMQIGTGEEILTNPANDYVREFVEEVDRSKVLTAQNIMVPALTTNIESDGPNVALTRMRNEEVSMLMAVDRKRHLKGIITADQALEARKQKRPLIDFLDENVTVIGKDMVVSDIFNIIYDSPTPLAVVEDGKLKGVVIRGSVIEALAETSEVSEHE 3TIF Chain:A ((23-223)) --------------------------------------------NVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVA-RFGERIIYLKDGEV-----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 964 -25224 -26.17 -128.04 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -26.17 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: