Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTEQQQDKLSKVQLEESWKRSLTSFLLSPYMDSLRDFLFQQKQAQKTIYPPSKQIFNALNITPLDHVKVVILGQDPYHGPNQANGLSFSVQRGVALPPSLRNIFHELHTDLGVPV-SRHGDLTKWAEQGVLLLNSVLTVEAGQPTSHHKQGWEEFTDAVIDVLNEQREHIVFILWGAYAQRKGQRINREKHLVLTAAHPSPLAANRGGFFGCKVFSKTNQYLKQHGIEPIDWQLDA 2HXM Chain:A ((6-221)) -----------------ESWKKHLSGEFGKPYFIKLMGFVAEERK-HYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYR-GFFGCRHFSKTNELLQKSGKKPIDWK---

General information: TITO was launched using: RESULT: Template: 2HXM.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 : 1071 -21309 -19.90 -99.11 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -19.90 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.642

(partial model without unconserved sides chains): PDB file : Tito_2HXM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HXM-query.scw PDB file : Tito_Scwrl_2HXM.pdb: