Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEIHTYEKEFFDLLKRISHYSEAVALMHWDSRTGAPKNGSEDRAESIGQLSTDIFNIQTSDRMKELIDVL--YERFDDLSEDTKKAVELAKKEYEENKKIPEAEYKEYVILCSKAETAWEEAKGKSDFSLFSPYLEQLIEFNKR-----FITYWGYQEHPY----DALLDLFEPGVTVKVLDQLFAELKEAIIPLVKQVTASGNKPDTSFITKAFPKEKQKELSLYFLQELGYDFDGGRLDETVHPFATTLNRGDVRVTTRYDEKDFRTAIFGTIHECGHAIYEQNIDEALSGTNLSDGASMGIHESQSLFYENFIGRNKHFWTPYYKKIQEASPVQFKDISLDDFVRAINESKPSFIRVEADELTYPLHIIIRYEIEKAIFSNEVSVEDLPSLWNQKYQDYLGITPQTDAEGILQDVHWAGGDFGYFPSYALGYMYAAQLKQKMLEDLPEFDALLERGEFHPIKQWLTEKVHIHGKRKKPLDIIKDATGEELNVRYLIDYLSNKYSNLYLL 3HOA Chain:B ((8-509)) -------QNLLEFQRETAYLASLGALAAWDQRTMIPKKGHEHRARQMAALARLLHQRMTDPRIGEWLEKVEGSPLVQDPLSDAAVNVREWRQAYERARAIPERLAVELAQAESEAESFWEEARPRDDWRGFLPYLKRVYALTKEKAEVLFALPPAPGDPPYGELYDALLDGYEPGMRARELLPLFAELKEGLKGLLDRILGSGKRPDTSILHRPYPVEAQRRFALELLSACGYDLEAGRLDPTAHPFEIAIGPGDVRITTRYYEDFFNAGIFGTLHEMGHALYEQGLPKEHWGTPRGDAVSLGVHESQSRTWENLVGRSLGFWERFFPRAREVF-ASLGDVSLEDFHFAVNAVEPSLIRVEADEVTYNLHILVRLELELALFRGELSPEDLPEAWAEKYRDHLGVAPKDYKDGVMQDVHWAGGLFGYFPTYTLGNLYAAQFFQKAEAELGPLEPRFARGEFQPFLDWTRARIHAEGSRFRPRVLVERVTGEAPSARPFLAYLEKKYAALY--

General information: TITO was launched using: RESULT: Template: 3HOA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2355 36621 15.55 74.58 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : 15.55 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_3HOA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HOA-query.scw PDB file : Tito_Scwrl_3HOA.pdb: