Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKEKRTSILYSFIALLFSIALYFNANGQSVPNTLSGNEAYNQTVTGVPIKISYDSKRYYIHGYENAVTVKLSSANRVQLNAEANEDTRMFRVTADITKLGEGTHEVPLKIQNLSSAVTAKIEPSTITVTVEKKVIKDFDVETLIPSTFTPSGYELDDTSVSPKKVSITTGDKTLAEIKRVVADVDASMVTDDGINSEVPIQALNAAGEVLSIVSDPVQVTVRADSIKPSKSVRLYGIQQGTPAAGVESYDFSFSKLEAEVSGSSDLLASIGDSIAVPINVSGINHRTTRKIEIPVEEGLSIKPESVSVEITPVLQTSSSSSASTSSRTQENTSTSRSISSADSGTEPSTTTISSSSESGTSSSTTSTEETSETSESTQMSRTNSSEN 2KXY Chain:A ((6-90)) --------------------------------------------------------------------------------------------------------------------------------------KLSKSVPVKLELTGD-KASNVSSISYSFDRGHVTIVGSQEAMDKIDSITVPVDIS-QVTEDTSKTLELK---AEG----VTVQPSTVKVNLKVT-----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KXY.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 : 311 -38144 -122.65 -448.75 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -122.65 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.299

(partial model without unconserved sides chains): PDB file : Tito_2KXY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KXY-query.scw PDB file : Tito_Scwrl_2KXY.pdb: