Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLVLIGGGYGNMRVLHRLLPNQLPDDVSITLIDRNPYHCLKTEYYALAAGTISDHHIRVSFPEHP---RLDVQYGDITSIDIVQKQVLFQDREPISYDDAIIGLGCEDKYHNVPGAPEFTYSIQTIDQSRETYQKLN----------NLSANATVAIVGAGLSGVELASELRESRD-----------DLNIILFDRGNLILSSFPERLSKYVQKWFEEHGVRIINRANITKVEEG-VVY-N--HDDPISADAIVWTAGIQPNKVVRDLDVEKDAQGRIVLTPHHNLPGDEHLYVVGDCASLP-------HAPSAQLAEAQAEQIVQILQKRWNGEALPESMPQFKLKGVLGSLGKKAGFGLVADRPLIGRVPRMLKSGLLWMYKHHNG 4NWZ Chain:A ((3-387)) KPSIVILGAGYGGIVAALGLQKRLNYNEADITLVNKNDYHYITTELHQPAAGTMHHDQARVGIKELIDEKKIKFVKDTVVAIDREQQKVTLQNG-ELHYDYLVVGLGSEPETFGIEGLREHAFSINSINSVRIIRQHIEYQFAKFAAEPERTDYLTIVVGGAGFTGIEFVGELADRMPELCAEYDVDPKLVRIINVEAAPTVLPGFDPALVNYAMDVLGGKGVEFKIGTPIKRCTPEGVVIEVDGEEEEIKAATVVWTGGVRGNSIVEKSGFET-MRGRIKVDPYLRAPGHENIFIVGDCALIINEENNRPYPPTAQIAIQHGENVAANLAALIRGGSMTPFKP--HIRGTVASLGRNDAIGIVGGRKVYGHAASWLKKLIDMRYLYLI-

General information: TITO was launched using: RESULT: Template: 4NWZ.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 : 1941 -42162 -21.72 -120.46 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -21.72 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_4NWZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NWZ-query.scw PDB file : Tito_Scwrl_4NWZ.pdb: