Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAPPAVGQRTAWVDVPGDVRRGIEDVLGAPVIHAESQSGGFSPGTADRVRTSTGRRAFVKAVSPDQNPDSPEIHRREADYLAVLPA-SSR-LPKLIGRYDD------GYWIAMVMEEIDGECPPVPWSGAQVETAMETLAALAADLTPNPLPGLE-PISEGFSPLFAGWRRL----KD-DPPTDLDPWIAARLDDLIE-------LS-----ESTL-PRIDGDTVVHCDVRADNLLVRADGSMVVVDWPWALSGADWLDRFMLLINIDLY---GGHDVEDLVARH--LTHVDPDLITGTLAGLCAFFVDSARQPPAPGLPTLREFQRAQGDSTLAWLRRRLTGDRGV 4PDY Chain:A ((20-292)) ----------------APLIPQAVVSKYDLAIQQR---HAD-G-N-IEVWTDSKGRRYAAKRSSIA-----PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANF-GLPEHVAQTAYTLAQFHEATRSFRTDWK-DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEY---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 946 -30638 -32.39 -129.82 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -32.39 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: