Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDTRQALEKDVRDNLLLLYDFDK-DYDVKLLK-YSENVIFKITFKEAFPVVLRIHRPGYHNIEELEGEILWMDEIHRDTDVELPVVYRGRDGRFLQKMTTFSGEEVYVSVISFLEGSPLGELKD----------DELIKGLESLGEITAKLHMQSINRDKSVVIKRFYWDINNLFGDNNDGIWGSWRDYKALTKEQYRILEKCTSVMKDKLNYYGRSNEKFGLIHADLHFYNVINNNG-VNQIIDFDDSGYGFYMYDMGCALVTYSRNLTKLEGAWVRGYEKVKKLSDEDKKFIPMFVLLRRITRLAWLATHSDSDTAKTVDDEYLDVTIDMAKEWLKANTKVAVITGAAGGIGYGIAKKFLESCK 5UXD Chain:A ((5-254)) -------EDLDALLDLAARHGLDLDGGTLRTEEIGLDFRVAFARAHDGGDWVLRLPRRPDV-LERAAVEGRLLAMLAPHLDVAVPDWRIST---------------SELIAYPLLPGSPGLTVAADGEVSWHVDMAS-TVYARSLGSVVAQLHAVDAEAAAATGIE--VRSPAQVR-----GAWRQDLAR-VGA-E-FEIAPALRERWEAWLADDGCWPGHSVLTHGELYPAHTLVEDERITAVLDWTTAAVGDPAKDLMFHQVSA---PSAIFEVALQAYAEGGGR--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UXD.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 : 955 -20305 -21.26 -85.67 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -21.26 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.239

(partial model without unconserved sides chains): PDB file : Tito_5UXD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxd-query.scw PDB file : Tito_Scwrl_5UXD.pdb: