Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKQTLSYDEETRGKTVINHMGGVFLYNRPEQILEQYEL--EVKSISRGR-----DSYQCDTEQGPKILREYRGSK----ER-AGFLADMLDHLSGQGRTVETVMRTKEGEPFSVNEEETKYILYQAFPGAECD--TKNRADMLSAVRELALLHQSAQNYEGSVPEFLKSGQNNLLLLYEKRNRELNKVRNYIRAKKKKNDFEMMFAVWYPEYVKKAQETTDILKDLGIQEQLIGFCHGDYNQHNVIFSR---EGIAVVHFENFLYQESVGDLANFIRKMMEK----------NNWNAGLGMDLIRGYDR--VRKLSPEELKYLYVYLAYPEKFWKIANRYYNSHKAWLSGRNIEKLEKVVAQEDAREQFLQMLFHFTV 4WH3 Chain:A ((7-298)) ----------------------------VLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGAT-WAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAA-------LAA-DKLGRAAA-CQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNL-------------------------------------------------

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 : 1094 34893 31.89 132.67 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 31.89 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.308

(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: