Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDITFNTGLMGSGKSKKLIDDYLID--PKEKVALSVSLTEDTFSRGKIESRDGRSLRSINLNRDQFKQNISLLEIIIFMTNTQTIYIDESQFLPKETVEKFVSLSESYHVPIHFYGLDLTFTGELFDSSSHLLTILPSENINRISRGCEASKCSKIAQYNARIVDGKVSRSGETFVEEKSYYLALCSDHYYNDEKII 1XX6 Chain:A ((14-167)) ------VGPMYSGKSEELIRRIRRAKIAKQKIQVFKPE-------EDVVSHMGEKEQAVAI-----KNSREILKY--FEEDTEVIAIDEVQFFDDEIVEIVNKIAESGRRVI-CAGLDMDFRGKPFGPIPELMAI--AEFVDKIQAICVV--CGNPATRTQRLINGK------------------------------

General information: TITO was launched using: RESULT: Template: 1XX6.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 : 630 -41172 -65.35 -294.09 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -65.35 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_1XX6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XX6-query.scw PDB file : Tito_Scwrl_1XX6.pdb: