Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKEKRTSILYSFIALLFSIALYFNANGQSVPNTLSGNEAYNQTVTGVPIKISYDSKRYYIHGYENAVTVKLSSANRVQLNAEANEDTRMFRVTADITKLGEGTHEVPLKIQNLSSAVTAKIEPSTITVTVEKKVIKDFDVETLIPSTFTPSGYELDDTSVSPKKVSITTGDKTLAEIKRVVADVDASMVTDDGINSEVPIQALNAAGEVLSIVSDPVQVTVRADSIKPSKSVRLYGIQQGTPAAGVESY-DFSFSKLEAEVSGSSDLLASIGDSIAVPINVSGINHRTTRKIEIPVEEGLSIKPESVSVEITPVLQTSSSSSASTSSRTQENTSTSRSISSADSGTEPSTTTISSSSESGTSSSTTSTEETSETSESTQMSRTNSSEN 2KXY Chain:A ((6-91)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLSKSVPVKLELTGDKA-SNVSSISYSFDRGHVTIVGSQEAMDKI-DSITVPVDISQVTEDTSKTLELK-AEGVTVQPSTVKVNLKVTQ-------------------------------------------------------------------------

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 31142 100.13 366.37 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 100.13 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.604

(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: