Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTEQQQDKLSKVQLEESWKRSLTSFLLSPYMDSLRDFLFQQKQAQKTIYPPSKQIFNALNITPLDHVKVVILGQDPYHGPNQANGLSFSVQRGVALPPSLRNIFHELHTDL-GVPVSRHGDLTKWAEQGVLLLNSVLTVEAGQPTSHHKQGWEEFTDAVIDVLNEQREHIVFILWGAYAQRKGQRINREKHLVLTAAHPSPLAANRGGFFGCKVFSKTNQYLKQHGIEPIDWQLDA 3TKB Chain:A ((6-221)) -----------------ESWKKHLSGEFGKPYFIKLMGFVAEERK-HYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEGFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYR-GFFGCRHFSKTNELLQKSGKKPIDWR---

General information: TITO was launched using: RESULT: Template: 3TKB.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 : 1057 -20143 -19.06 -93.69 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -19.06 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.645

(partial model without unconserved sides chains): PDB file : Tito_3TKB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TKB-query.scw PDB file : Tito_Scwrl_3TKB.pdb: