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 1QQA Chain:A ((2-330)) --TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLAVNHTKSIGLLATS----SEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMC-SEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSV-----

General information: TITO was launched using: RESULT: Template: 1QQA.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 : 1711 -176919 -103.40 -551.15 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -103.40 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_1QQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QQA-query.scw PDB file : Tito_Scwrl_1QQA.pdb: