Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFK-DQVHFIRRNMKKNRLRVFMTILATTMACAFLVVLSSVGFGIQKTITDMTMSQQIVTKVSVMGKEGDKPIKKADLEKYDHV--RSVVERTQVYEPNKATLGNRTNESSNLIFTNMNDELKANMELEKGRVAKSEN---EIVVGYDFAKRLLTKKESEEYNKK-IEEAKGNPEDIKEPKGYTKDI-----------LNKTIELSVSKTDSKTGDVTKTKTYDFKIVGITKKPSQDWMEDSNIFISDQFKKDFSEFLDFKGGNVETNIGVFADKFENVEQLTNDLTDDGYYVTSVT-TELEGANTFFMVFKIGL-------IFVGCIAVIISAIGIFNTMTMAVTERTQEIGIMKAIGASPSIIRRMF--LMESAYIGILGCVIGIIISYGVSYLVNLAVP-------MILAATSGG-----DAGDLNYTFSY-----------IPASLVIIAVV-------ICGGVAVISGMNPARKATKTNVLTALRREL----------- 3W36 Chain:A ((58-527)) IEFDLDKDNYIKWAQP------------TDENAGQSPTLAILGP------MDVTVFLWINRVVWLAAFDALAPYHETAVGVYSQIPRRPSSESATNRNLNIAALHAQHGVWKRVLPQQVDQLRELMTALGLDPSDETENLSSPVGIGNVAAKNAFNALKNDGMNFLGYEGRKYNPRPWADYTGYEPVNTAFKVNNPSRWQPQLQAHNARRAGGGPGDLGIYVTQHFVTPQTARTKAHIFRDPSRFRIPR------PEFSDH------TNTRAYKRSVDEIIDASANLNDERKALAEIMENKLWGIGHSSIVIANKYDQNNEMGVHGWCHWMLAHVLATFEPLIAAWHHKTRFDAV-----RPVTAIRHVYGNRKIRAWGGVGMGTVDIRASEWSSYLPVGDHPEYPSGSTSLCSATSQAARRYFDSDELDWTINYPAGSTVVEPGITPGKDLSIHIPTWTDFTRTCATSRVWGGVHFQTTVDRTIDFGEQFGDLAHEFVQRHVKG

General information: TITO was launched using: RESULT: Template: 3W36.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 : 1920 -6515 -3.39 -16.25 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -3.39 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_3W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W36-query.scw PDB file : Tito_Scwrl_3W36.pdb: