Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAVAGTGYVGLSIAVLLSQ---QHQVMAVDIIPEKVELINQRKSPIQDDYIEKYLAK-KDLNLVATLDAKEAYQDADFVVIAAPTNYDPK----KNFFDTSAVESVIETALKY-NPDAIMVIKSTVPVGYTESARKKF-------QTENILFSPEFLRESKALYDNLYPSRIILGTDKNNERLVSAAETFARLLQEGALKENIDTLYMGFTEAEAVKLFANTYLALRVSYFNELDTYSEMKGLDTQAIIDGVGLDPRIGSHYNNPSFGYGGYCLPKDTKQLLANY--EDIP--EELIGAIVRSNSTRKDFIADQVLKMVDYYDYSAHNIFDERVEKDIIIGIYRLTMKSNSDNFRQSSIQGIMKRIKAKGVRVVIYEPTLESGSTFF---------GSSVINDLEEFKRLSNAIVANRYDNSLEDVK------------EKVYTRDIFERD 5VR8 Chain:E ((6-448)) KKICCIGAGYVGGPTCSVIAHMCPEIRVTVVDVNESRINAWNSPTLPIYEPGLKEVVESCRGKNLFFSTNIDDAIKEADLVFISVNTPTKTYGMGKGRAADLKYIEACARRIVQNSNGYKIVTEKSTVPVRAAESIRRIFDANTKPNLNLQVLSNPEFLAEGTAIKDLKNPDRVLIGGDET-PEGQRAVQALCAVYEHWVPR--EKILTTNTWSSELSKLAANAFLAQRISSINSISALCEATGADVEEVATAIGMDQRIGNKFLKASVGFGGSCFQKDVLNLVYLCEALNLPEVARYWQQVIDMNDYQRRRFASRIIDSLFN------------TVTDKKIAILGFAFKKDTGDTRESSSIYISKYLMDEGAHLHIYDPKVPRE-QIVVDLSDQVSRLVTISKDPYEACDGAHAVVICTEWDMFKELDYERIHKKMLKPAFIFDGRRVLDG-

General information: TITO was launched using: RESULT: Template: 5VR8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2042 -1550 -0.76 -3.92 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain E : 0.73 3D Compatibility (PKB) : -0.76 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_5VR8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VR8-query.scw PDB file : Tito_Scwrl_5VR8.pdb: