Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERTAIVIQDLSAAYQGKTVL-KTINLTINPQKITGIIGPNGAGKSTFMKSLLELIPATTGKVTFSGQSVNSVRKKIAYVEQRSELDLSFPIDVLGVVLLGTYPSLRIGQRPGKKEKERARQALKKVGMEEYAKRQISELSGGQLQRVFIARALAQGAEWIFLDEPFVGIDALSERKIFDILQELKNS-GKTILIVHHDLHKVEEYFDEVILLNKQLIASGPVQEVFTSKNLQLAYGEIIRHLVKGGEKK 2NQ2 Chain:C ((4-221)) ----ALSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKI--------EVYQSIGFVPQF--FSSPFAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLLNKQNFKFGETRNILTSENL------------------

General information: TITO was launched using: RESULT: Template: 2NQ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1085 -6991 -6.44 -32.37 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -6.44 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_2NQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NQ2-query.scw PDB file : Tito_Scwrl_2NQ2.pdb: