Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLVLIGGGYGNMRVLHRLLPNQLPDDVSITLIDRNPYHCL-KTEYYALAAGTISDHHIRVSFPEH---PRLDVQYG-DITSIDIVQKQVLFQDREPISYDDAIIGLGCEDKYHNVPGAPEFTYSIQTIDQSRETYQKLNNLSANATVAIVGAGLSGVELASELRESRDDLNIILFDRGNLILSSFPERLSKYVQKWFEEHGVRIINRANITKVEEGVVYNHDDPISADAIVWTAGIQPN-KVVRDLDVEKDAQGRIVLTPHHNLPGDEHLYVVGDCASLPH--APSAQLAEAQAEQIVQILQKRWNGEALPESMPQFKLKGVLGSLGKKAGFGLVADRPLIGRVPRMLKSGLLWMYKHHNG 1XHC Chain:A ((9-302)) -SKVVIVGNGPGGFELAKQLSQ-----TYEVTVIDKEPVPYYSKPMLSHYIAGFIPRNRLFPYSLDWYRKRGIEIRLAEEAKLIDRGRKVVITEK-GEVPYDTLVLATGARAREPQIKGK-EYLLTLRTIFDADRIKESI---ENSGEAIIIGGGFIGLELAGNLAEAG--YHVKLIHRGAMFL-GLDEELSNMIKDMLEETGVKFFLNSELLEANEEGVLTNSGFIEGKVKICAIGIVPNVDLARRSGIHTG-RG-ILIDDNFR-TSAKDVYAIGDCAEYSGIIAGTAKAAMEQARVLADILKGE---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XHC.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 : 1565 1393 0.89 4.96 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 0.89 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_1XHC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XHC-query.scw PDB file : Tito_Scwrl_1XHC.pdb: