Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL 2QGN Chain:A ((2-310)) ----KEKLVAIVGPTAVGKTKTSVMLAKRLNGEVISGDSMQVYRGMDIGTAKITAEEMDGVPHHLIDIKDPSESFSVADFQDLATPLITEIHERGRLPFLVGGTGLYVNAVIHQFNLG--------------------------------------------------------------------ETPSPYNLVMIGLTMERDVLYDRINRRVDQMVEEGLIDEAKKLYDRGIRDCQSVQAIGYKEMYDYLDGNVTLEEAIDTLKRNSRRYAKRQLTWFRNKANVTWFDMT-DVDFDKKIMEIHNFIAGKLE-

General information: TITO was launched using: RESULT: Template: 2QGN.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 : 1160 -150136 -129.43 -625.56 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -129.43 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.624

(partial model without unconserved sides chains): PDB file : Tito_2QGN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QGN-query.scw PDB file : Tito_Scwrl_2QGN.pdb: