Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MTKNASSPGKRFMKLAGMTASIATKTVSNSIRNLTADEEQKLAAKTKLFQDI---GLQIADTLGEMKGAVMKVGQ----------IASQYKDIFPPEVAKAISKLQRQAPAMPFSAIQQQVERE-LGKPLNAAFKSFDEQPFAAASIGQVHKAVLP--NGQQVVVKVQYPGVDEACESDLKQVRLALRLMGVLKIDKKLQDQLFA--EIQDSLSAELNYEI-------EAQNLEVFKTFHSKLD---------DKIIIPTVY----KDYSSRRILTLSLEQGDSIETASSWPIEIRNTIGRRLIRALGQEMFFLKRFHCDPHPG---NFAFRQDGSVIIYDYGSVKTLSNEIVYSFKRLVNAARHE--------DIDLIETELL--ELHSLAEK----GKFPSDLYKLWIEVLLR-PLTTTYDFAENSSQHDGMLLVKKSLKY---WDVFKPSPDTLMVNRTISGHYWN-LIHLKVHDNLNDLFKELVPLSN------ 3J9E Chain:D ((2-521)) GKVIRSLNRFGKKVGNALTSNTAKKIYSTIGKAAERFAESEIGSAAIDGL-VQGSVHSIITGESYGESVKQAVLLNVLGSGEEIPDPLSPGERGIQAKLKELEDEQRNELVRLKYNDKIKEKFGKELEEVYNFMNGEANAEIEDEKQFDILNKAVTSYNKILTEEDLQMRRLATALQKEIGERTHAETVMVKEYRDKIDALKNAIEVERDGMQEEAIQEIAGMTADVLEAASEEVPLIGAGMATAVATGRAIEGAYKLKKVINALSGIDLTHLRTPKIEPSVVSTILEYRAKEIPDNALAVSVLSKNRAIQENHKELMHIKNEILPRFKKAMDEEKEICGIEDKVIHPKVMMKFKIPRAQQPQIHVYSA--PWDSDDVFFFHCISHHHANESFFLGFDLSIDLVHYEDLTAHWHALGAAQTAAGRTLTEAYREFLNLAISNAFGTQMHTRRLVRSKTVHPIYLGSLHYDISFSDLRGNAQRIVYDDELQMHILRGPIHFQRRAILGALKFGCKVLGDRLDVPL

General information: TITO was launched using: RESULT: Template: 3J9E.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1684 21941 13.03 51.14 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain D : 0.67 3D Compatibility (PKB) : 13.03 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.170

(partial model without unconserved sides chains): PDB file : Tito_3J9E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J9E-query.scw PDB file : Tito_Scwrl_3J9E.pdb: