Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPKYKPLFEPFTFKSGVTINNRIAVAPMTHYASNEDGTISEAELDYIIPRSKEMGMVITACANVTPDGKAFPGQPAIHDDSNIPGLKKLAQAIQAQGAKAVVQIHHGGIECPSELVPQQDVVGPSDVFDN----------GKQIARALTEEEVENIVKAFGEATRRAIEAGFDGVEIHGANGYLIQQFYSPKTNQRTDRWGGSDEKRLAFPLAIVDEVKKAASEHAKGAFLVGYRLSPEEPET--PGL-TMTETYTLVDALGDKELDYLHISLMDVNSKARRGADPTRTRMDLLNERVGNKVPLIAVGSIHSADDALAVIEN-GIPLVAMGREILVDPNWTVKVKEGREKQI-ETVIKGTDKEKYHLPEPLWQAIVNTQGWVPYKD 3GKA Chain:A ((9-344)) ----MPSLFDPLTIG-DLTLANRIIMAPLTRARAGDTRTPNALMARYYAERAS-AGLIISEATSVTPQGVGYASTPGIWSPEQVDGWRLVTDAVHAAGGRIFLQLWHVGRVSDPVFLDGALPVAPSAIAPGGHVSLVRPQRPYVTPRALELDEIPGVVAAFRRGAENARAAGFDGVEVHGANGYLLDQFLQDSANRRTDAYGGSIENRARLLLEVVDAAIDVW-----SAARVGVHLAPRGDAHTMGDSDPAATFGHVARELGRRRIAFLFARESF-------G---GDAIGQQLKAAF--GGPFIVNENF-TLDSAQAALDAGQADAVAWGKLFIANPDLPRRFKLNAPLNEPNAATFY---------------------------

General information: TITO was launched using: RESULT: Template: 3GKA.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 : 2018 -53066 -26.30 -165.31 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -26.30 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.641

(partial model without unconserved sides chains): PDB file : Tito_3GKA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GKA-query.scw PDB file : Tito_Scwrl_3GKA.pdb: