Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLLQDSWWNQLKEEFEKPYYQELREMLKREYAEQTIYPDSRDIFNALHYTSYDDVKVVILGQDPYHGPGQAQGLSFSVKPGVKQPPSLKNIFLELQQDIGCSI-PNHGSLVSWAKQGVLLLNTVLTVRRGQANSHKGKGWERLTDRIIDVLSERERPVIFILWGRHAQMKKERIDTSKHFIIESTHPSPFSARNGFFGSRPFSRANAYLEKMGEAPIDWCIKDL 1SSP Chain:E ((2-220)) --EFFGESWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDW-----

General information: TITO was launched using: RESULT: Template: 1SSP.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 : 1170 -31421 -26.86 -144.13 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain E : 0.85 3D Compatibility (PKB) : -26.86 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_1SSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SSP-query.scw PDB file : Tito_Scwrl_1SSP.pdb: