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

General information: TITO was launched using: RESULT: Template: 2SSP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1126 -25957 -23.05 -120.73 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain E : 0.87 3D Compatibility (PKB) : -23.05 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.623

(partial model without unconserved sides chains): PDB file : Tito_2SSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2SSP-query.scw PDB file : Tito_Scwrl_2SSP.pdb: