Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDIYVEFRGKY-----------KVDGESRDSEHKGWLEVNSWSHNIRQPKSATSSSVGGHTAERVEHSDMVFVKDLDATSPKLWEACSAGYTFDEVQIDFYRAN-GDKRIKYLQIKLKHVLVSSVTP---TVNEEGVPTEAFGLKYAAVEWTYNQQDINGTAKGAVTKKWSLSNNTASYAA 3HE1 Chain:C ((24-185)) ATPAYMSITGTKQGLITAGAFTEDSVGNTYQEGHEDQVMVQGFNHEVIIPR---------------VHKPVVITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDYMH-----FTHLEDVHFTYRKITWTHEVSGTSGS--------------------

General information: TITO was launched using: RESULT: Template: 3HE1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 618 37934 61.38 298.69 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : 61.38 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_3HE1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HE1-query.scw PDB file : Tito_Scwrl_3HE1.pdb: