Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MALSPEIEFEDIEDDSEVIETSQTYKID---FENGRITNEIITGLEAIKQFVYLSLHTERYAY------------SVYSH------------DIGNELQDVLADNETTDAYKKMEIPRLI-------------EEALIYDDRISAVTDFEIEKQGESFRVSFTVETDEG---TLEIEEVLGEDV 4Q58 Chain:D ((1127-1320)) LGAPQNPNAKAAGSRKIHFNWLPPSGKPMGYRVKYWIQGDSESEAHLLDSKVPSVELTNLYPYCDYEMKVCAYGAQGEGPYSSLVSCRTHQEVPSEPGRLAFNVVSSTVTQLSWAEPAETNGEITAYEVCYGLVNDDNRPIGPMKKVLVDNPKNRMLLIENLRESQPYRYTVKARNGAGWGPEREAIINLATQP

General information: TITO was launched using: RESULT: Template: 4Q58.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 534 31209 58.44 221.34 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : 58.44 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_4Q58.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q58-query.scw PDB file : Tito_Scwrl_4Q58.pdb: