Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYKALLSSLSIALFSLSLAGCNDNDSQETAVSTPKQPNILFIMADDLGYSDLGAFGG-EIHTPNIDSLAQEGRILTDYHT-APTCSPTRSQLISGTDHHLAGIGAMAELTPDHLKGQPGYEGYLNERSLSITQVLKDNGYRTYISGKWHLGLTPETNAHAKGFDHSF-------TLLQGLDH---------HFKQAPS--AFK----RNSTYTE---DGQIIPV-SALPDDFFSTNYFTDKLLSYLESGKNSGKPFFAYAAYTAPHWPIQAPAEYREKYRGAYDVGYDAIRNARIERQKQLGIIPVNFEAAEPIATQN--APQKYGKYELTAEQKALEARKMEIYAGMVENLDANVGRIIQYLKQNNLYDNTLIFFVSDNGAEGFVRGSYGCESGFDNSVANVGTPTSYHYIGPRWAEVSAAPFHLWKDTAGEGATTAPAIVKLPNQKK-AEETNHSFASVLDVFPTLLDYAHIPVPQGQYKGRTINTPSGYSWKSVLENKSQ-TIRPANFSFADE-----------------LHGSKYAKQGEWKIALQGRPELGTGSWELYNIATDRGENHNVAQL--YPAKVQELLAVYQKYTEQNGVQEYNAK 4UPH Chain:A ((44-528)) ------------------------------------RPNVLLISADQWRGDCLSAVGHASVKTPNVDALAQDGVLFTRHFAGTAP-SPARATLYTGLYQMNHRVCRNGS--------------PLDARFDNLALAARRGGYDPTLFGYTDTAPDP------RGMDPNDPHLTTYEGVLPGFSARQLLPEHEKQWLSWLRSRGHPEATSRDIHIPVGATPGEISDVAPAYSKDETQTAFLAGEFIRWLGE---QDAPWFAHVSFLRPHPPFSVPEPYNRMFTPSDGPAFARAANREAEQ--AVH--PLLAFALPLIGKDSFIYGGEGSASDWTSE---DLSAIRAIYYGMIAEVDTQLGRIWQALKNVGAWDDTLIIFTSDHAEMMGDHWML------------------------------------GKGGFFDGSYHVPLVIRDPGHPGGAGRQVERFTSAADIFPTLCDRLGLVPDN---------HLDGGTLVPFLEGGEPEGWRDAAFWEFDFRDIAKGEAERHFGLKSNACNLAVIRDERFKYVHFAG-----LPPLLYDLAKDPMELTNVAADADYAAVRLGYAEKLLSLRAQHL-------

General information: TITO was launched using: RESULT: Template: 4UPH.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 : 2619 21996 8.40 50.80 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 8.40 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_4UPH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UPH-query.scw PDB file : Tito_Scwrl_4UPH.pdb: