Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDP----VFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQV-TWFDMTPPVDMELKKKEIFTHIAGKLEL 3D3Q Chain:A ((6-299)) ----KPFLIVIVGPTASGKTELSIEVAKKFNGEIISGDSMQVYQGMDIGTAKVTTEEMEGIPHYMIDILPPDASFSAYEFKKRAEKYIKDITRRGKVPIIAGGTGLYIQSLLYNYAFE---ISEDKMKQVKLKLK-ELEHLNNNKLHEYLASFDKESAKDIHPNNRKRVLRAIEYYLKTKKLLSSRKKVQQFTENYDTLLIGIEMSRETLYLRINKRVDIMLGHGLFNEVQHLVEQGFEASQSMQAIGYKELVPVIKGNISMENAVEKLKQHSRQYAKRQLTWFKNK-MNVHWLNKERMS-------------------

General information: TITO was launched using: RESULT: Template: 3D3Q.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 : 1285 -141646 -110.23 -495.27 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -110.23 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.598

(partial model without unconserved sides chains): PDB file : Tito_3D3Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D3Q-query.scw PDB file : Tito_Scwrl_3D3Q.pdb: