Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKEKRTSILYSFIALLFSIALYFNANGQSVPNTLSGNEAYNQTVTGVPIKISYDSKRYYIHGYENAVTVKLSSANRVQLNAEANEDTRMFRVTADITKLGEGTHEVPLKIQNLSSAVTAKIEPSTITVTVEKKVIKDFDVETLIPSTFTPSGYELDDTSVSPKKVSITTGDKTLAEIKRVVADVDASMVTDDGINSEVPIQALNAAGEVLSIVSDPVQVTVRADSIKPSKSVRLYGIQQGTPAAGVESYDFSFSKLEAEVSGSSDLLASIGDSIAVPINVSGINHRTTRKIEIPVEEGLSIKPESVSVEITPVLQTSSSSSASTSSRTQENTSTSRSISSADSGTEPSTTTISSSSESGTSSSTTSTEETSETSESTQMSRTNSSEN 2KQ1 Chain:A ((8-98)) ------------------------------------------NLSLGELELTVLYDEERYDIVEQTETVQVDLEGPRGVLTVFRFARPS--YEVFVDLTEAGEGSHTVDVEHRGFPGDLAVTVEPRMARVQLEER--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KQ1.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 : 347 -43171 -124.41 -474.40 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -124.41 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_2KQ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KQ1-query.scw PDB file : Tito_Scwrl_2KQ1.pdb: