Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKITLLYGGRSAEHEVSILSAFSVLNAIYYNYYQVQLVFITKEGQWVKGPLLTEKPASKD--VLHLSWDPSGQTEEGFTGKVINPGEIKEEGAIVFPVLHGPNGEDGTIQGFLETLNMPYVGAGVLTSACAMDKIMTKYILQAA-GVPQVPYVPVLKNQWKENPKKVFDQCEGSLLYPMFVKPANMGSSVGITKAENREELQNALATAYQYDSRAIVEQGIEAREIEVAVLGNEDVRTTLPGEVVKDVAFYDYEAKYINNKIEMQIPAEVPEEVYQKAQEYAKLAYTMLGGSGLSRCDFFLTNKNELFLNELNSMPGFTEFSMYPLLWENMGLKYGDLIEELIQLGMNRYHQRQSFFEKNE 3K3P Chain:B ((4-346)) ETLVLLYGGRSAERDVSVLSAESVMRAINYDNFLVKTYFITQAGDFIKTQEFDSQPS--DKLMTNDTIIAS---------QKIKPSDIYEEEAVVFPVLHGPMGEDGSIQGFLEVLKMPYVGTNILSSSVAMDKITTNQVLESATTIPQVAYVALIEGEP---LESKLAEVEEKLIYPVFVKPAN-----GISKAENRTDLKQAIALALKYDSRVLIEQGVDAREIEVGILGNTDVKTTLPGEIV-----------------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 B - contact count / total energy / energy per contact / energy per residue : 1709 -47009 -27.51 -149.71 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -27.51 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.567

(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: