Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKQKRKVPEVTEKKNKKLKKASAEGPLLGPEAAPSGEGAGSKGEAVLRPGLDAEPELSPEEQRVLERKLKKERKKEERQRLREAGLVAQHPPARRSGAELALDYLCRWAQKHKNWRFQKTRQTWLLLHMYDSDKVPDEHFSTLLAYLEGLQGRARELTVQKAE-ALMRELDEEGSDPPLPGRAQRIRQVLQLLS- 2R5S Chain:A ((6-176)) DEQLLKQVSELLQQGEHAQALNVIQ--TLSDELQSRGDVKLAKADCLLETK---QFELAQELLATIPLEYQDNSYKSLIAKLELHQQAAESPELKRLEQELAANP-------------DNFELACELAVQYNQVGRDEEALELLWNILKVNLG-AQDGEVKKTFMDILSALGQG------NAIASKYRRQLYSILY

General information: TITO was launched using: RESULT: Template: 2R5S.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 : 647 2953 4.56 17.47 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 4.56 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_2R5S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2r5s-query.scw PDB file : Tito_Scwrl_2R5S.pdb: