Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKDIKVDPAQLEAALDARLKIRAGFDKPTAGMAAGMTQVNMISVPRDWAYDFLLYAHRNPQSCPVLDVLEEGIYATKLAADSDIRTDFPRYRIWKDGEMVDEVTDAREIYNAHPDLVTFLIGCSFSFETALQEAGIEVRHIHDDTNVPMYLSNIKCEPAGRISGNMVVSMRPIPSHQISEAVKITAR-----MPSVHGAPVHIGHPESLGIKDVNKPDFGDASRIEAGEIPVFWACGVTPQAAVINSKIPFAISHAPGYMFITDIPDRAWMG 1T0O Chain:A ((17-123)) ---------------------------------------------------------------------------------------------------------NSWNAYHCDIDESKFLSAAELIVSSGLLDAGYNYVNIDDCWSMK----------DGRVDGHIAPNATRFPDGIDGLAKKVHALGLKLGIYSTAGTATCAGYPASLGYEDVDAADFAD---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1T0O.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 : 404 -16302 -40.35 -159.82 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -40.35 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_1T0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1T0O-query.scw PDB file : Tito_Scwrl_1T0O.pdb: