Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------MNKTTNGWIN-GFIGVLIFSGSLPATRLAVS-----DFDPLFLT------VCRAAIAGVLAG---GLLLIFRQQ------------HPAKRDLISLLVVAFGVVIGFPL--------------------LTALALQ--HVTSAHAIVFIGLLPLATAVFGVLRGGERPRP-VFWIFSAA-GSLLVAGFALIQG-G----GSSPLGDAYMLAS----IVVCGLGYAEGAKLSRRLGNW-Q------------VISWALVLSLPLMLPLSFFFTPDSWSAIGVPALLSLA-YVS-LFSMLIGFVFWYRGLAQGGIA-----AVGQLQLLQPFFGLLLASVILHEKV---GWALVAVNIAVIMCVAAARRFAK----------------------------------------------------- 4C8H Chain:A ((474-925)) FRYMPFSPAGTPFGFTDRRYLTMNEVGYVSTVKNSEQYSITVSFFDVGRFREYHFEDLFGYDLCFLNEKGTLFGQSKTGQIQYRPHDSIHSNWTKIIPLQAGERITSVAATPVRVIVGTSLGYFRSFNQFGVPFAVEKTSPIVALTAQNYRVFSVHYSQFHG-LSYSLSELKRYYKRECPLPMSLPNINSDMKKDANLDYYNFNPMGIKSLFFSSYGDPCIFGSDNTLLLLSKWRSPEESKWLPILDSNMEIWKMSGGKETTDIHVWPLALAYD---TLNCILVKGKHIWPEFPLPLPSEMEIRMPVFVKSKLLEENKAILNKEIQIPVSMAAEEEYLRSKVLSELLTDTLENDGEMYGNENEVLAALNGAYDKALLRLFASACSDQNVEKALSLAHELKQDRALTAAVKISERAELPSLVKKINNIREARYEQQ

General information: TITO was launched using: RESULT: Template: 4C8H.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 : 1173 -162944 -138.91 -575.77 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -138.91 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.100

(partial model without unconserved sides chains): PDB file : Tito_4C8H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C8H-query.scw PDB file : Tito_Scwrl_4C8H.pdb: