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 6CH4 Chain:A ((41-304)) VAYLVNNEYIFKTKFSTNKKKGYAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYI----LLRETIYNDLTDIEKDYIESFMERLNATTVFEGKKCLCHNDFNCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNIDIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFIENGRKEIYKRTYK-

General information: TITO was launched using: RESULT: Template: 6CH4.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 -956 -0.90 -3.93 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -0.90 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_6CH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6ch4-query.scw PDB file : Tito_Scwrl_6CH4.pdb: