Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAEPVQRRIQFVFDQYQVF-PNDNLTLCYFGMANEVYIVPTEKGRYVLKKCFKSN--TK-ALISNEVALIEQLNSYGCKTPEIVPDKEGNAYVDFDGEIYLLTKYCQDMTYNWSSEIPDKA-HCETIRAMAHFHCATDTFVPPFSDTRTTFLGLAGHSEKLAELRHHDSDTERG----SFQQMSLFLPQLESQLNRLKAEVTQADLSQAKQCFIHGDLHCYNLFFDQD-GRYTHVIDFDFSRLDYRLADIFWTSRIIAFKLLRRRYSREQLEAWDHVLPEPQMLEILTHVWQMIIDQYRQ--VAALDDRELALVPLFAHAVPLYICHFFEYSNSEQECIEHLKWFEWELSQVERSARLNRLAIEKVLKDVA 4WH3 Chain:A ((5-300)) ------NEVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNL--VPNPDVFREAGSAFGDFQNFLSEFDASQLT--ETIAHFHDTPHRFEDFK----AALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALE---DE----------KDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLT-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1260 -12844 -10.19 -45.23 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -10.19 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.393

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: