Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREYKGLKIAVAGTGYVGLSIATLLAQSHT---VTAVDIIPEKVELINNKKSPIQDDYI-EMYLAKKELDLMATVDGVSAYKDADFVVIAAPTNYDS----KKNFFDTSAVEAVIK-LVMEVNPEAIMVIKSTIPVGYTASIR-------EKTGSKNIIFSPEFLRESKALYDNLYPSRIIVGTDMEDERLVEAAQTFAKLLQEGAIKENVDTLFMGFTEAEAVKLFANTYLALRVSYFNELDTYAEMKGLNTQQIINGVCRDPRIGTHYNNPSFGYGGYCLPKDTKQL--LANYEDVPE--NLIEAIVESNRTRKNFIADRVLELAGAYEANSHWDASKEKKVVIGVYRLTMKSNSDNFRQSSIQGVMKRVKAKGTTVVIYEPSLKDGEIF--FGSKVVNDLDQFKAMCDSIIANRYDTCLDDIKEKVYTRDIFQRD 2Q3E Chain:A ((7-406)) -------KICCIGAGYVGGPTCSVIAHMCPEIRVTVVDVNESRINAWNSPTLPIYEPGLKEVVESCRGKNLFFSTNIDDAIKEADLVFISVNTPTKTYGMGKGRAADLKYIEACARRIVQNSNGYKIVTEKSTVPVRAAESIRRIFDANTKPNLNLQVLSNPEFLAEGTAIKDLKNPDRVLIGGD-ETPEGQRAVQALCAVYEHWVPREKI--LTTNTWSSELSKLAANAFLAQRISSINSISALCEATGADVEEVATAIGMDQRIGNKFLKASVGFGGSCFQKDVLNLVYLCEALNLPEVARYWQQVIDMNDYQRRRFASRIID--------SLFNTVTDKK--IAILGFAFKKDTGDTRESSSIYISKYLMDEGAHLHIYDPKVPREQIVVDLSH------DQVSRLV-TISKDPYEAC-----------------

General information: TITO was launched using: RESULT: Template: 2Q3E.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 : 1870 23528 12.58 63.25 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 12.58 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_2Q3E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q3E-query.scw PDB file : Tito_Scwrl_2Q3E.pdb: