Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTIKDIAKLANVSHTTVSRALNNSPYIKEHTKKKILELAEQLNYTPNVNAKSLAMQKSHTIGLFFTSITNGTSHSFFADTIKGVNQ-AISEDYNLYV-RGIDDLKNYDSVTPM----RYDGIILMSQSDIDNSFIYHIRE-KNIPLVVLNRDIDDRTITN-ILSNDKEGSQEAVEYFIQSGHQDIAIIEGIEGFKSSQQRKEGYLSALIQHHIPIKHEYSVKGQYDMESGFQAMERLLALPNPPTAVFCSNDDMAIGAMNAIFAKGLRVPDDISVIGFDDIGFSQYITPRLSTVKRPVEKISVLGAQKLLSLISEPETKAEKILENTEFMVRDSVRRLTT 2PUG Chain:A ((2-330)) --TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATS----SEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMC-SEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEQNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSV-----

General information: TITO was launched using: RESULT: Template: 2PUG.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 : 1700 -177403 -104.35 -552.66 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -104.35 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_2PUG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUG-query.scw PDB file : Tito_Scwrl_2PUG.pdb: