Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKNKKLFEYLSQHAETISSTWYETIEETDPNSIYASTDPVVIHNLKSQNLAFNYKINRIFIDDEDVYLP--ILKEWAFEVTQDQEHLKTPIHYIIREFVRVRDLYVSYVKEFVHLNQNTVKSEEAEDLYHALIKAFDLVIHIFIEEMYKNTSLQLQAQKDMITELSAPVIVLFHSVGLLPLIGDIDTVRAKLIMENTLHQCAKKKVTQLYIDLSGVAVIDTMVAHQLFSLIEALRLIGVSSTLSGIRPEIAQTAVQLGLSFEGISLRSTLASAIASDLKLKKV 4ZVA Chain:A ((20-149)) ----AKAAEIAVAHAHYLSIEFYRIVRIDPHAEEFL-SNEQVERQLKSA---MERWIINVLSAQ---VDDVERLIQIQHTVAEVHARIGIPVEIVEMGFRVLKKILYPVIFSSD------YSAAEKLQVYHFSINSIDIAMEVMTRA-----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZVA.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 : 417 -23882 -57.27 -186.58 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -57.27 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_4ZVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZVA-query.scw PDB file : Tito_Scwrl_4ZVA.pdb: