Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLLQDSWWNQLKEEFEKPYYQELREMLKREYAEQTIYPDSRDIFNALHYTSYDDVKVVILGQDPYHGPGQAQGLSFSVKPGVKQPPSLKNIFLELQQDIGCSI-PNHGSLVSWAKQGVLLLNTVLTVRRGQANSHKGKGWERLTDRIIDVLSERERPVIFILWGRHAQMKKERIDTSKHFIIESTHPSPFSARNGFFGSRPFSRANAYLEKMGEAPIDWCIKDL 2SSP Chain:E ((2-220)) --EFFGESWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPASVYRGFFGCRHFSKTNELLQKSGKKPIDW-----

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 : 1146 -25994 -22.68 -119.24 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain E : 0.85 3D Compatibility (PKB) : -22.68 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.589

(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: