Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREYKGLKIAVAGTGYVGLSIATLLAQ---SHTVTAVDIIPEKVELINNKKSPIQDDYIEMYLAK-KELDLMATVDGVSAYKDADFVVIAAPTNYDSK----KNFFDTSAVEAVIKLVMEV-NPEAIMVIKSTIPVGYTASIREKT-------GSKNIIFSPEFLRESKALYDNLYPSRIIVGTDMEDERLVEAAQTFAKLLQEGAIKENVDTLFMGFTEAEAVKLFANTYLALRVSYFNELDTYAEMKGLNTQQIINGVCRDPRIGTHYNNPSFGYGGYCLPKDTKQLLANY--EDVP--ENLIEAIVESNRTRKNFIADRVLELAGAYEANSHWDASKEKKVVIGVYRLTMKSNSDNFRQSSIQGVMKRVKAKGTTVVIYEPSLKDGEIFF----------------GSKVVNDLDQFKAMCDSIIANRYDTCLDDIK------------EKVYTRDIFQRD 3KHU Chain:B ((2-448)) --MFEIKKICCIGAGYVGGPTCSVIAHMCPEIRVTVVDVNESRINAWNSPTLPIYEPGLKEVVESCRGKNLFFSTNIDDAIKEADLVFISVNTPTKTYGMGKGRAADLKYIEACARRIVQNSNGYKIVTEKSTVPVRAAESIRRIFDANTKPNLNLQVLSNPQFLAEGTAIKDLKNPDRVLIGGDETP-EGQRAVQALCAVYEHWVP--REKILTTNTWSSELSKLAANAFLAQRISSINSISALCEATGADVEEVATAIGMDQRIGNKFLKASVGFGGSCFQKDVLNLVYLCEALNLPEVARYWQQVIDMNDYQRRRFASRIIDSLFN----------TVTDKKIAILGFAFKKDTGDTRESSSIYISKYLMDEGAHLHIYDPKVPRE-QIVVDLSHPGVSEDDQVSRLVTISKDPYEACDGAHAVVICTEWDMFKELDYERIHKKMLKPAFIFDGRRVLDG-

General information: TITO was launched using: RESULT: Template: 3KHU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2009 13 0.01 0.03 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : 0.01 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_3KHU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KHU-query.scw PDB file : Tito_Scwrl_3KHU.pdb: