Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHYTGIDQLINSFDQALRSLVPGATAAQRQNPAETVEAKLGVEDARHVAGLMRVNHSGEVCAQALYHGQALTAKLPNVRREMQQAAIEEQDHLAWCEDRLKELNSHTSLLNPIWYGLS------YGMGALAGIAGDKYSLGFVAETERQVSLHLQDHLNQLPAQDERSRKILEQMNEDELHHRHTALEAGGVELPYAVKITMTAISKLMTKTSYYL 4UN1 Chain:B ((21-179)) MSHQ------FSPEEQAVLRIVQ-ANLPDSLTPYADLAEQAGMTEAQVLELLGRLKASGAIR----RFGASIKHQKTGWTHNAMVAWKVTPDQVDDCGRKAAE-HSH---ISHVYYRPSSAPDWPYEMYTMIHGRSEAECLGVVEDVKRTTSLKEHAILRSLKELKKTSM-------------------------------------------TYFT

General information: TITO was launched using: RESULT: Template: 4UN1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 504 -25707 -51.00 -168.02 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -51.00 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.206

(partial model without unconserved sides chains): PDB file : Tito_4UN1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UN1-query.scw PDB file : Tito_Scwrl_4UN1.pdb: