Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLHGKRKEIYKYEAPWTVYAMNWSVRPD-KRFRLALGSFVEEYNNKVQLVGLDEE------SSEFICRNTFDHPYPTTKLMWIPDTKGV----Y-PDLLATS-GDYLRVWRVGETETRLECLLNNNKNSDFCAPLTSFD----WNEVD---PYLLGTSSIDTTCTIWGLETGQVLGRVNLVSGHVKTQLIAHDKEVYDIAFSRA-GGGRDMFASVGADGSVRMFDLRHL------------E-HSTIIY-----EDPQH-----HPLLRLCWNKQDPNYLATMAMDGMEVVILDVRVP-----------CTP----VARLNNHRACVNGIAWAP---HSSCHICTAADDHQALIWDIQQMPRAIEDPILAYTAEGEINNVQWASTQPDWIAI-CYNNCLEILRV 4GQ2 Chain:P ((6-386)) --------NQYQLPLNVRPYTTTWCSQSPSCSNLLAIGH-----DTGITIYCASEEQTPGSTGLTLQELFTIQTGLPTLHLSFSSSCSYSESPVYSLFLACVCQDNTVRLIITKNETIITQHVLG--GKSGHHNFVNDIDIADVYSADNRLAEQVIASVGDDCTLIIWRLTDEGPIL-----------AGYPLSSPGISVQFRPSNP---NQLIVGERNGNIRIFDWTLNLSAEENSQTELVKNPWLLTLNTLPLVNTCHSSGIASSLANVRWIGSDGSGILAMCKSG-AWLRWNLFANNDYNEISDSTMKLGPKNLLPNVQGISLFPSLLGACPHPRYMDYFATAHSQHGLIQLINTYEKDS----NSIPIQLGMPIVDFCWHQDGS-HLAIATEGSVLLTRLM

General information: TITO was launched using: RESULT: Template: 4GQ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 1624 -75323 -46.38 -245.35 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain P : 0.65 3D Compatibility (PKB) : -46.38 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.322

(partial model without unconserved sides chains): PDB file : Tito_4GQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GQ2-query.scw PDB file : Tito_Scwrl_4GQ2.pdb: