Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MSAENLSQMGAA-------------NVQRLVDQYGQQVIEKCPVSPVEYAFYERAAEELNSRG-IKTPTLLSADPHPRRLR-------LEYIPGK-VSQDEVSGDDIL-KCLSHLHHT----------PPDPTWVYHPHSWPEKA----------------------LEKSLALLRLPDRAAHQMR--CFQQAGSVLFRQKCLISGDTNAGNWGRRENGEWVLFDWERFGTGSPAIDLAP-LVKGMGSR----QSILQL-AERYSVHCP--HMPARQ-LAT-EITLAKAWIVSEVMSLLYDRNKTDFELYLNWYRETLPGWLDEAISVL 2Q83 Chain:A ((11-346)) LSAEDAKKLTELAENVLQGWDVQAEKIDVIQALVWKVHTDSGAVCLKRIHRPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI----

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 978 49788 50.91 192.98 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 50.91 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: