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 5IQH Chain:A ((41-304)) VAYLVNNEYIFKTKFS---KKGYAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYI----LLRETIYNDLTDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNIDIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFIENGRKEIYKRTYK-

General information: TITO was launched using: RESULT: Template: 5IQH.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 : 1048 -1364 -1.30 -5.68 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -1.30 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_5IQH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqh-query.scw PDB file : Tito_Scwrl_5IQH.pdb: