Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKKEIVLTAAMMLFSMVASTTFVSATEVYPKEYNTEGTITFEAGDEGVTPPVDPENPDPNKPVDPSDPPSPGTGGALSIDYGSKFKFGTQKISTADKTYYAAADVMNDGSRKPTYVQVTDRRSTLSGWKLSVSQPEQFKTASGDELVGAQLKFTKGQAVSLVDPTYTPQTVNSELTLTPGGNNTLAINAKSGTGVGTWVYRFGANENENQDAVQLS--VPGKSVKLAQQYSTKLVWTLEDTPNN 3UX4 Chain:A ((1-195)) MLGLVLLYVGIVLISNGICGLTKVDPKSTAVMNFFVGGLSIVCNVVVITYSALHPTAPSF---------------------------YGPATGLLFGFTYLYAAINHTFGL--------------------------------DWRPYSWYSLFVAINTVPAAILSHYSDMLDDHKVLGITEGDWWAIIWLA------WGVLWLTAFIENILKIPLGKFTPWLAIIEGILTAWIPAWLLFIQHWV

General information: TITO was launched using: RESULT: Template: 3UX4.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 : 665 -50568 -76.04 -284.09 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -76.04 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_3UX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UX4-query.scw PDB file : Tito_Scwrl_3UX4.pdb: