Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATLRDGRWIERRPRRPAVTAQLRREASFLPWLAPALPLRVPVPRILVDQPGHEF-VSTHELVPGEPLC--AFTSAN-------GRRLGRFLRALHSRSSDDAVRHGLLPASGAAEDLANDVNLFRRTVLPLVPAGWRPDAQAVLDRVG-TFPFD---TVVHGDLGPEHVLT-CDDVITGVIDFGDARCGDAAMDFSWVLHGTP----SVFGEAAAEEYGV--TPAVRERARVWRRLSPWYDVTRGLGTGDADMVRDGLDGLVNRLRKP 5IQI Chain:A ((41-304)) VAYLVNNEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYI----LLRETIYNDLTDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNIDIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFIENGRKEIYKRTYK-

General information: TITO was launched using: RESULT: Template: 5IQI.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 : 1059 61 0.06 0.25 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 0.06 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_5IQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqi-query.scw PDB file : Tito_Scwrl_5IQI.pdb: