Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAPPAVGQRTAWVDVPGDVRRGIEDVLGA--PVIHAESQSGGFSPGTADRVRTSTGRRAFVKAVSPDQNPDSPEIHRREADYLAVLPA-SSRLPKLIGRYDD------GYWIAMVMEEIDGECPPVP-WSGAQVETAMETLAALAADLTPNPLPGLEPISEGFSPLFAGWRRLKDDPP----TD---LDP---WIAARLDDLIELSESTLPRIDGDTVVHCDVRADNLLVRA--DGSMVVVDWPWALSGADWLDRFMLLINIDLY-------------GGHDVEDLVARH-L---THVDPDLITGTLAGLCAFFVDSARQPPAPGLPTLREFQRAQGDSTLAWLRRRLTGDRGV 4WH3 Chain:A ((9-304)) ---------------------FGIASHFALEGAVTGIEPYGDGHINT-TYLVTTD-GPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTMECG------------------------------------

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 : 1056 8008 7.58 31.16 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 7.58 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.325

(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: