Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------MTYLDAFKSGTLVLPSALLLHFKELFPSSDDFLVWQFFYLQNTTGLEEM---SPSQIA--------------ERIGK----EISDVNQSISNLTE-----RGLLQY---RTIELNGEIELLFDASLALERLDDLFGAVHSSSDQLTSQNQLKDLVE-TFQQELGRLLTPFEIEDLTKTLKE---DGTSADLIKEALREAV--LNGKPNWKYIQAILRNWRH----------EGIKS----------VAQIEAKRAEREASNP---QLTQVSADFRNAMDL-WKD--- 5B6D Chain:A ((1-325)) TFGTFQDAYLSQLRDIYHSPEFRNAPRGQASRERIGAGFRLLDPVQRHISVPARRANVVFNFAEALWYLSGSDRLDFIQYYAPGIAAYSADGRTLRGTAYGPRIFRHPAGGVNQWENVVKTLTDDPDSKRAVIQIFDPRELAVADNIDVACTLALQFLIRDGLLCGIGYMRANDAFRGAVSDVFSFTFLQEFTARYLGLGIGTYHHVVGSVHIYDSDARWAERVLDAGFPAMPDGDNWPHVRRVLEWEERLRTNAARLSADALDALDLPAYWKHVVALFEAHRQVRHEDTPDRALLAALPEVYRQSLAVKWPGHFG

General information: TITO was launched using: RESULT: Template: 5B6D.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 : 1109 33422 30.14 148.54 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 30.14 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_5B6D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B6D-query.scw PDB file : Tito_Scwrl_5B6D.pdb: