Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHRKPEQGVKLRGAEKVARIPVKVVPTVEVPRKPDWIRVKMTAPEEVQRIKTTLRAQKLHTVCEEAACPNLPECFGGGTATFMIMGDICTRRCPFCDVAHGR-PNALDPDEPRHMAETIANLKLKYAVITSVDRDDLLDGGAQHFVDCIKEARALSPNTLLEILVPDFR---GRM--DIALRIMTECPPDVFNHNIETVPRLYKAMRPGSDYQHSLNLLKMFKEYCPDIPTKCGLMVGIGETEEEVIALLDDLRAHDVDYVTIGQYLQPSKQHAPIDRFVTPEEFERYAEHGRKLGFRNIWSAPMVRSSYFADRQYYGEPVPEVRRKVDPAKKIAVQAIEA 4U0O Chain:B ((8-288)) -----------------------------------PSWLRI--------STVQRLVRQYGIHTICEEGRCPNRGECYGQKTATFLLLGPTCTRACAFCQVEKGHAPAAVDPEEPTKIAAAVATLGLRYVVLTSVARDDLPDQGAGQFVATMAAIRQRCPGTEIEVLSPDFRMDRGRLSQRDCIAQIVAAQPACYNHNLETVRRLQGPVRRGATYESSLRVLATVKELNPDIPTKSGLMLGLGETEAEIIETLKDLRRVGCDRLTLGQYLPPSLSHLPVVKYWTPEEFNTLGNIARELGFSHVRSGPLVRSSYHAAE---------------------------

General information: TITO was launched using: RESULT: Template: 4U0O.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 : 1454 -20982 -14.43 -78.58 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -14.43 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.660

(partial model without unconserved sides chains): PDB file : Tito_4U0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U0O-query.scw PDB file : Tito_Scwrl_4U0O.pdb: