Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKITLLYGGRSAEHEVSILSAFSVLNAIYYNYYQVQLVFITKEGQWVKGPLLTEKPASKDVLHLSWDPSGQTEEGFTGKVINPGEIKEEGAIVFPVLHGPNGEDGTIQGFLETLNMPYVGAGVLTSACAMDKIMTKYILQAAG-VPQVPYVPVLKNQWKENPKKVFDQCEGSLLYPMFVKPANMGSSVGITKAENREELQNALATAYQYDSRAIVEQGIEAREIEVAVLGNEDVRTTLPGEVVKDVAFYDYEAKYINNKIEMQIPAEVPEEVYQKAQEYAKLAYTMLGGSGLSRCDFFLTNKNELFLNELNSMPGFTEFSMYPLLWENMGLKYGDLIEELIQLGMNRYHQRQSFFEKNE 3K3P Chain:A ((6-346)) --LVLLYGGRSAERDVSVLSAESVMRAINYDNFLVKTYFITQAGDFIKTQEFDSQPS--DKLMTN-------DTIIASQKIKPSDIYEEEAVVFPVLHGPMGEDGSIQGFLEVLKMPYVGTNILSSSVAMDKITTNQVLESATTIPQVAYVALIEGEPLESK---LAEVEEKLIYPVFVKPAN------ISKAENRTDLKQAIALALKYDSRVLIEQGVDAREIEVGILGNTDVKTTLPGEIV-----------------TMAIPAEIDPVIVEKMRDYAATAFRTLGCCGLSRCDFFLTEDGKVYLNELNTMPGFT--SMYPLLWENMGLSYSVLIEELVSLAKEMFDKRES------

General information: TITO was launched using: RESULT: Template: 3K3P.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 : 1690 -79612 -47.11 -254.35 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -47.11 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_3K3P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K3P-query.scw PDB file : Tito_Scwrl_3K3P.pdb: