Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAVAGTGYVGLSIAVLLSQ-QHQVMAVDIIPEKVELINQRKSPIQDDYIEKYLAK--KDLNLVATLDAKEAYQDADFVVIAAPTNYDPKKNFFDTSAVESVIETALKY-NPDAIMVIKSTVPVGYTESARKKFQ---------TENILFSPEFLRESKALYDNLYPSRIILGTDKNNERLVSAAETFARLLQEGALKENIDTLYMGFTEAEAVKLFANTYLALRVSYFNELDTYSEMKGLDTQAIIDGVGLDPRIGS--HYNNPSFGYGGYCLPKDTKQLLANY--EDIPEELIGAIVRSNSTRKDFIADQVLKMVDYYDYSAHNIFDERVEKDIIIGIYRLTMKSNSDNFRQSSIQGIMKRIKAKGVRVVIYEPTLESGSTF---FGSSVINDLEEFKRLSNAIVANRYDNSLEDVK------------EKVYTRDIFERD 4XR9 Chain:A ((16-438)) LKVVIAGAGYVGTCLAVTLAGRGAEVVAVDSDPGTVADLRAGRCRLPEPGLAGAVRDLAATGRLTASTS-YDPVGAADVVIVTVGTPTDAG-HEMVTDQLVAACEQIAPRLRAGQLVILKSTVSPGTTRTLVAPLLESGGLVHERDFGLAFCPERLAEGVALAQVRTLPV-VVGGCGP-----RSAAAAERFWRSALGV--DVRQVPSAESAEVVKLATNWWIDANVAIANELARYCAVLGVDVLDVIGAANTLPKGSSMVNLLLPGVGVGGSCLTKDPWMAWRDGRDRGVSLRTVETARAVNDDMPRHTAAVIADELVKL---------GRDRNDTTIAVLGAAFKNDTGDVRNTPVRGVVAALRDSGFRVRIFDPLADPA-EIVARFGTAPAASLDEAVSGAGCLAFLAGHRQFHELDFGALAERVDEPCLVFDGRMHLPP-

General information: TITO was launched using: RESULT: Template: 4XR9.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 : 2127 -16342 -7.68 -41.79 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -7.68 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_4XR9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XR9-query.scw PDB file : Tito_Scwrl_4XR9.pdb: